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<url><loc>https://scifaro.com/en/abs/a-multiphilic-descriptor-for-chemical-reactivity-and-selectivity-0704.0334</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multiphilic-descriptor-for-chemical-reactivity-and-selectivity-0704.0334"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/a-multiphilic-descriptor-for-chemical-reactivity-and-selectivity-0704.0334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multiphilic-descriptor-for-chemical-reactivity-and-selectivity-0704.0334"/></url>
<url><loc>https://scifaro.com/zh/abs/a-multiphilic-descriptor-for-chemical-reactivity-and-selectivity-0704.0334</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multiphilic-descriptor-for-chemical-reactivity-and-selectivity-0704.0334"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/a-multiphilic-descriptor-for-chemical-reactivity-and-selectivity-0704.0334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multiphilic-descriptor-for-chemical-reactivity-and-selectivity-0704.0334"/></url>
<url><loc>https://scifaro.com/en/abs/rich-methane-premixed-laminar-flames-doped-by-light-unsaturated-hydrocarbons-part-i-allene-and-propyne-0704.0375</loc><lastmod>2016-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rich-methane-premixed-laminar-flames-doped-by-light-unsaturated-hydrocarbons-part-i-allene-and-propyne-0704.0375"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/rich-methane-premixed-laminar-flames-doped-by-light-unsaturated-hydrocarbons-part-i-allene-and-propyne-0704.0375"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rich-methane-premixed-laminar-flames-doped-by-light-unsaturated-hydrocarbons-part-i-allene-and-propyne-0704.0375"/></url>
<url><loc>https://scifaro.com/zh/abs/rich-methane-premixed-laminar-flames-doped-by-light-unsaturated-hydrocarbons-part-i-allene-and-propyne-0704.0375</loc><lastmod>2016-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rich-methane-premixed-laminar-flames-doped-by-light-unsaturated-hydrocarbons-part-i-allene-and-propyne-0704.0375"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/rich-methane-premixed-laminar-flames-doped-by-light-unsaturated-hydrocarbons-part-i-allene-and-propyne-0704.0375"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rich-methane-premixed-laminar-flames-doped-by-light-unsaturated-hydrocarbons-part-i-allene-and-propyne-0704.0375"/></url>
<url><loc>https://scifaro.com/en/abs/protein-and-ionic-surfactants-promoters-and-inhibitors-of-contact-line-pinning-0704.0434</loc><lastmod>2007-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/protein-and-ionic-surfactants-promoters-and-inhibitors-of-contact-line-pinning-0704.0434"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/protein-and-ionic-surfactants-promoters-and-inhibitors-of-contact-line-pinning-0704.0434"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/protein-and-ionic-surfactants-promoters-and-inhibitors-of-contact-line-pinning-0704.0434"/></url>
<url><loc>https://scifaro.com/zh/abs/protein-and-ionic-surfactants-promoters-and-inhibitors-of-contact-line-pinning-0704.0434</loc><lastmod>2007-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/protein-and-ionic-surfactants-promoters-and-inhibitors-of-contact-line-pinning-0704.0434"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/protein-and-ionic-surfactants-promoters-and-inhibitors-of-contact-line-pinning-0704.0434"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/protein-and-ionic-surfactants-promoters-and-inhibitors-of-contact-line-pinning-0704.0434"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-decomposition-of-norbornane-bicyclo-2-2-1-heptane-dissolved-in-benzene-experimental-study-and-mechanism-investigation-0704.0699</loc><lastmod>2016-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-decomposition-of-norbornane-bicyclo-2-2-1-heptane-dissolved-in-benzene-experimental-study-and-mechanism-investigation-0704.0699"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/thermal-decomposition-of-norbornane-bicyclo-2-2-1-heptane-dissolved-in-benzene-experimental-study-and-mechanism-investigation-0704.0699"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-decomposition-of-norbornane-bicyclo-2-2-1-heptane-dissolved-in-benzene-experimental-study-and-mechanism-investigation-0704.0699"/></url>
<url><loc>https://scifaro.com/zh/abs/thermal-decomposition-of-norbornane-bicyclo-2-2-1-heptane-dissolved-in-benzene-experimental-study-and-mechanism-investigation-0704.0699</loc><lastmod>2016-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-decomposition-of-norbornane-bicyclo-2-2-1-heptane-dissolved-in-benzene-experimental-study-and-mechanism-investigation-0704.0699"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/thermal-decomposition-of-norbornane-bicyclo-2-2-1-heptane-dissolved-in-benzene-experimental-study-and-mechanism-investigation-0704.0699"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-decomposition-of-norbornane-bicyclo-2-2-1-heptane-dissolved-in-benzene-experimental-study-and-mechanism-investigation-0704.0699"/></url>
<url><loc>https://scifaro.com/en/abs/detailed-kinetic-study-of-the-ring-opening-of-cycloalkanes-by-cbs-qb3-calculations-0704.0700</loc><lastmod>2016-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detailed-kinetic-study-of-the-ring-opening-of-cycloalkanes-by-cbs-qb3-calculations-0704.0700"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/detailed-kinetic-study-of-the-ring-opening-of-cycloalkanes-by-cbs-qb3-calculations-0704.0700"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detailed-kinetic-study-of-the-ring-opening-of-cycloalkanes-by-cbs-qb3-calculations-0704.0700"/></url>
<url><loc>https://scifaro.com/zh/abs/detailed-kinetic-study-of-the-ring-opening-of-cycloalkanes-by-cbs-qb3-calculations-0704.0700</loc><lastmod>2016-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detailed-kinetic-study-of-the-ring-opening-of-cycloalkanes-by-cbs-qb3-calculations-0704.0700"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/detailed-kinetic-study-of-the-ring-opening-of-cycloalkanes-by-cbs-qb3-calculations-0704.0700"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detailed-kinetic-study-of-the-ring-opening-of-cycloalkanes-by-cbs-qb3-calculations-0704.0700"/></url>
<url><loc>https://scifaro.com/en/abs/mpemba-effect-and-phase-transitions-in-the-adiabatic-cooling-of-water-before-freezing-0704.1381</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mpemba-effect-and-phase-transitions-in-the-adiabatic-cooling-of-water-before-freezing-0704.1381"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/mpemba-effect-and-phase-transitions-in-the-adiabatic-cooling-of-water-before-freezing-0704.1381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mpemba-effect-and-phase-transitions-in-the-adiabatic-cooling-of-water-before-freezing-0704.1381"/></url>
<url><loc>https://scifaro.com/zh/abs/mpemba-effect-and-phase-transitions-in-the-adiabatic-cooling-of-water-before-freezing-0704.1381</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mpemba-effect-and-phase-transitions-in-the-adiabatic-cooling-of-water-before-freezing-0704.1381"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/mpemba-effect-and-phase-transitions-in-the-adiabatic-cooling-of-water-before-freezing-0704.1381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mpemba-effect-and-phase-transitions-in-the-adiabatic-cooling-of-water-before-freezing-0704.1381"/></url>
<url><loc>https://scifaro.com/en/abs/quasiparticles-in-neon-using-the-faddeev-random-phase-approximation-0704.1542</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasiparticles-in-neon-using-the-faddeev-random-phase-approximation-0704.1542"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/quasiparticles-in-neon-using-the-faddeev-random-phase-approximation-0704.1542"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasiparticles-in-neon-using-the-faddeev-random-phase-approximation-0704.1542"/></url>
<url><loc>https://scifaro.com/zh/abs/quasiparticles-in-neon-using-the-faddeev-random-phase-approximation-0704.1542</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasiparticles-in-neon-using-the-faddeev-random-phase-approximation-0704.1542"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/quasiparticles-in-neon-using-the-faddeev-random-phase-approximation-0704.1542"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasiparticles-in-neon-using-the-faddeev-random-phase-approximation-0704.1542"/></url>
<url><loc>https://scifaro.com/en/abs/adiabatic-passage-in-a-three-state-system-with-non-markovian-relaxation-the-role-of-excited-state-absorption-and-two-exciton-processes-0704.1959</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adiabatic-passage-in-a-three-state-system-with-non-markovian-relaxation-the-role-of-excited-state-absorption-and-two-exciton-processes-0704.1959"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/adiabatic-passage-in-a-three-state-system-with-non-markovian-relaxation-the-role-of-excited-state-absorption-and-two-exciton-processes-0704.1959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adiabatic-passage-in-a-three-state-system-with-non-markovian-relaxation-the-role-of-excited-state-absorption-and-two-exciton-processes-0704.1959"/></url>
<url><loc>https://scifaro.com/zh/abs/adiabatic-passage-in-a-three-state-system-with-non-markovian-relaxation-the-role-of-excited-state-absorption-and-two-exciton-processes-0704.1959</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adiabatic-passage-in-a-three-state-system-with-non-markovian-relaxation-the-role-of-excited-state-absorption-and-two-exciton-processes-0704.1959"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/adiabatic-passage-in-a-three-state-system-with-non-markovian-relaxation-the-role-of-excited-state-absorption-and-two-exciton-processes-0704.1959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adiabatic-passage-in-a-three-state-system-with-non-markovian-relaxation-the-role-of-excited-state-absorption-and-two-exciton-processes-0704.1959"/></url>
<url><loc>https://scifaro.com/en/abs/how-tight-is-the-lieb-oxford-bound-0704.2987</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-tight-is-the-lieb-oxford-bound-0704.2987"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/how-tight-is-the-lieb-oxford-bound-0704.2987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-tight-is-the-lieb-oxford-bound-0704.2987"/></url>
<url><loc>https://scifaro.com/zh/abs/how-tight-is-the-lieb-oxford-bound-0704.2987</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-tight-is-the-lieb-oxford-bound-0704.2987"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/how-tight-is-the-lieb-oxford-bound-0704.2987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-tight-is-the-lieb-oxford-bound-0704.2987"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-spontaneous-emission-versus-forster-energy-transfer-in-biological-systems-by-manipulating-the-density-of-photonic-states-0704.3560</loc><lastmod>2007-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-spontaneous-emission-versus-forster-energy-transfer-in-biological-systems-by-manipulating-the-density-of-photonic-states-0704.3560"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/tuning-spontaneous-emission-versus-forster-energy-transfer-in-biological-systems-by-manipulating-the-density-of-photonic-states-0704.3560"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-spontaneous-emission-versus-forster-energy-transfer-in-biological-systems-by-manipulating-the-density-of-photonic-states-0704.3560"/></url>
<url><loc>https://scifaro.com/zh/abs/tuning-spontaneous-emission-versus-forster-energy-transfer-in-biological-systems-by-manipulating-the-density-of-photonic-states-0704.3560</loc><lastmod>2007-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-spontaneous-emission-versus-forster-energy-transfer-in-biological-systems-by-manipulating-the-density-of-photonic-states-0704.3560"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/tuning-spontaneous-emission-versus-forster-energy-transfer-in-biological-systems-by-manipulating-the-density-of-photonic-states-0704.3560"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-spontaneous-emission-versus-forster-energy-transfer-in-biological-systems-by-manipulating-the-density-of-photonic-states-0704.3560"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-accurate-evaluation-of-overlap-integrals-over-slater-type-orbitals-using-analytical-and-recurrence-relations-0704.3887</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-accurate-evaluation-of-overlap-integrals-over-slater-type-orbitals-using-analytical-and-recurrence-relations-0704.3887"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/on-the-accurate-evaluation-of-overlap-integrals-over-slater-type-orbitals-using-analytical-and-recurrence-relations-0704.3887"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-accurate-evaluation-of-overlap-integrals-over-slater-type-orbitals-using-analytical-and-recurrence-relations-0704.3887"/></url>
<url><loc>https://scifaro.com/zh/abs/on-the-accurate-evaluation-of-overlap-integrals-over-slater-type-orbitals-using-analytical-and-recurrence-relations-0704.3887</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-accurate-evaluation-of-overlap-integrals-over-slater-type-orbitals-using-analytical-and-recurrence-relations-0704.3887"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/on-the-accurate-evaluation-of-overlap-integrals-over-slater-type-orbitals-using-analytical-and-recurrence-relations-0704.3887"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-accurate-evaluation-of-overlap-integrals-over-slater-type-orbitals-using-analytical-and-recurrence-relations-0704.3887"/></url>
<url><loc>https://scifaro.com/en/abs/testing-entropy-production-hypotheses-in-non-linear-steady-states-0704.3933</loc><lastmod>2007-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/testing-entropy-production-hypotheses-in-non-linear-steady-states-0704.3933"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/testing-entropy-production-hypotheses-in-non-linear-steady-states-0704.3933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/testing-entropy-production-hypotheses-in-non-linear-steady-states-0704.3933"/></url>
<url><loc>https://scifaro.com/zh/abs/testing-entropy-production-hypotheses-in-non-linear-steady-states-0704.3933</loc><lastmod>2007-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/testing-entropy-production-hypotheses-in-non-linear-steady-states-0704.3933"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/testing-entropy-production-hypotheses-in-non-linear-steady-states-0704.3933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/testing-entropy-production-hypotheses-in-non-linear-steady-states-0704.3933"/></url>
<url><loc>https://scifaro.com/en/abs/a-mathematical-and-computational-review-of-hartree-fock-scf-methods-in-quantum-chemistry-0705.0337</loc><lastmod>2008-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mathematical-and-computational-review-of-hartree-fock-scf-methods-in-quantum-chemistry-0705.0337"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/a-mathematical-and-computational-review-of-hartree-fock-scf-methods-in-quantum-chemistry-0705.0337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mathematical-and-computational-review-of-hartree-fock-scf-methods-in-quantum-chemistry-0705.0337"/></url>
<url><loc>https://scifaro.com/zh/abs/a-mathematical-and-computational-review-of-hartree-fock-scf-methods-in-quantum-chemistry-0705.0337</loc><lastmod>2008-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mathematical-and-computational-review-of-hartree-fock-scf-methods-in-quantum-chemistry-0705.0337"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/a-mathematical-and-computational-review-of-hartree-fock-scf-methods-in-quantum-chemistry-0705.0337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mathematical-and-computational-review-of-hartree-fock-scf-methods-in-quantum-chemistry-0705.0337"/></url>
<url><loc>https://scifaro.com/en/abs/zero-variance-zero-bias-quantum-monte-carlo-estimators-of-the-spherically-and-system-averaged-pair-density-0705.0721</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zero-variance-zero-bias-quantum-monte-carlo-estimators-of-the-spherically-and-system-averaged-pair-density-0705.0721"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/zero-variance-zero-bias-quantum-monte-carlo-estimators-of-the-spherically-and-system-averaged-pair-density-0705.0721"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zero-variance-zero-bias-quantum-monte-carlo-estimators-of-the-spherically-and-system-averaged-pair-density-0705.0721"/></url>
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<url><loc>https://scifaro.com/zh/abs/thermal-stability-of-n-dodecane-experiments-and-kinetic-modelling-0706.2058</loc><lastmod>2007-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-stability-of-n-dodecane-experiments-and-kinetic-modelling-0706.2058"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/thermal-stability-of-n-dodecane-experiments-and-kinetic-modelling-0706.2058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-stability-of-n-dodecane-experiments-and-kinetic-modelling-0706.2058"/></url>
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<url><loc>https://scifaro.com/zh/abs/the-autoignition-of-cyclopentane-and-cyclohexane-in-a-shock-tube-0706.2060</loc><lastmod>2007-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-autoignition-of-cyclopentane-and-cyclohexane-in-a-shock-tube-0706.2060"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/the-autoignition-of-cyclopentane-and-cyclohexane-in-a-shock-tube-0706.2060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-autoignition-of-cyclopentane-and-cyclohexane-in-a-shock-tube-0706.2060"/></url>
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<url><loc>https://scifaro.com/en/abs/primary-reactions-of-the-thermal-decomposition-of-tricyclodecane-0706.2066</loc><lastmod>2007-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/primary-reactions-of-the-thermal-decomposition-of-tricyclodecane-0706.2066"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/primary-reactions-of-the-thermal-decomposition-of-tricyclodecane-0706.2066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/primary-reactions-of-the-thermal-decomposition-of-tricyclodecane-0706.2066"/></url>
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<url><loc>https://scifaro.com/en/abs/full-dimensional-15d-quantum-dynamical-simulation-of-the-protonated-water-dimer-i-hamiltonian-setup-and-analysis-of-the-ground-vibrational-state-0707.1001</loc><lastmod>2007-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-dimensional-15d-quantum-dynamical-simulation-of-the-protonated-water-dimer-i-hamiltonian-setup-and-analysis-of-the-ground-vibrational-state-0707.1001"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/full-dimensional-15d-quantum-dynamical-simulation-of-the-protonated-water-dimer-i-hamiltonian-setup-and-analysis-of-the-ground-vibrational-state-0707.1001"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-dimensional-15d-quantum-dynamical-simulation-of-the-protonated-water-dimer-i-hamiltonian-setup-and-analysis-of-the-ground-vibrational-state-0707.1001"/></url>
<url><loc>https://scifaro.com/zh/abs/full-dimensional-15d-quantum-dynamical-simulation-of-the-protonated-water-dimer-i-hamiltonian-setup-and-analysis-of-the-ground-vibrational-state-0707.1001</loc><lastmod>2007-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-dimensional-15d-quantum-dynamical-simulation-of-the-protonated-water-dimer-i-hamiltonian-setup-and-analysis-of-the-ground-vibrational-state-0707.1001"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/full-dimensional-15d-quantum-dynamical-simulation-of-the-protonated-water-dimer-i-hamiltonian-setup-and-analysis-of-the-ground-vibrational-state-0707.1001"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-dimensional-15d-quantum-dynamical-simulation-of-the-protonated-water-dimer-i-hamiltonian-setup-and-analysis-of-the-ground-vibrational-state-0707.1001"/></url>
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<url><loc>https://scifaro.com/zh/abs/improving-guess-geminals-for-the-geminal-mean-field-configuration-interaction-method-0710.2094</loc><lastmod>2007-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-guess-geminals-for-the-geminal-mean-field-configuration-interaction-method-0710.2094"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/improving-guess-geminals-for-the-geminal-mean-field-configuration-interaction-method-0710.2094"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-guess-geminals-for-the-geminal-mean-field-configuration-interaction-method-0710.2094"/></url>
<url><loc>https://scifaro.com/en/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iii-numerical-calculations-0710.2334</loc><lastmod>2007-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iii-numerical-calculations-0710.2334"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iii-numerical-calculations-0710.2334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iii-numerical-calculations-0710.2334"/></url>
<url><loc>https://scifaro.com/zh/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iii-numerical-calculations-0710.2334</loc><lastmod>2007-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iii-numerical-calculations-0710.2334"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iii-numerical-calculations-0710.2334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iii-numerical-calculations-0710.2334"/></url>
<url><loc>https://scifaro.com/en/abs/detection-of-nuclear-magnetic-resonance-with-an-anisotropic-magnetoresistive-sensor-0710.2365</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detection-of-nuclear-magnetic-resonance-with-an-anisotropic-magnetoresistive-sensor-0710.2365"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/detection-of-nuclear-magnetic-resonance-with-an-anisotropic-magnetoresistive-sensor-0710.2365"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detection-of-nuclear-magnetic-resonance-with-an-anisotropic-magnetoresistive-sensor-0710.2365"/></url>
<url><loc>https://scifaro.com/zh/abs/detection-of-nuclear-magnetic-resonance-with-an-anisotropic-magnetoresistive-sensor-0710.2365</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detection-of-nuclear-magnetic-resonance-with-an-anisotropic-magnetoresistive-sensor-0710.2365"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/detection-of-nuclear-magnetic-resonance-with-an-anisotropic-magnetoresistive-sensor-0710.2365"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detection-of-nuclear-magnetic-resonance-with-an-anisotropic-magnetoresistive-sensor-0710.2365"/></url>
<url><loc>https://scifaro.com/en/abs/diffraction-in-low-energy-electron-scattering-from-dna-bridging-gas-phase-and-solid-state-theory-0710.2854</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffraction-in-low-energy-electron-scattering-from-dna-bridging-gas-phase-and-solid-state-theory-0710.2854"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/diffraction-in-low-energy-electron-scattering-from-dna-bridging-gas-phase-and-solid-state-theory-0710.2854"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffraction-in-low-energy-electron-scattering-from-dna-bridging-gas-phase-and-solid-state-theory-0710.2854"/></url>
<url><loc>https://scifaro.com/zh/abs/diffraction-in-low-energy-electron-scattering-from-dna-bridging-gas-phase-and-solid-state-theory-0710.2854</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffraction-in-low-energy-electron-scattering-from-dna-bridging-gas-phase-and-solid-state-theory-0710.2854"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/diffraction-in-low-energy-electron-scattering-from-dna-bridging-gas-phase-and-solid-state-theory-0710.2854"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffraction-in-low-energy-electron-scattering-from-dna-bridging-gas-phase-and-solid-state-theory-0710.2854"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-corrections-to-the-wave-function-and-energy-0710.2999</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-corrections-to-the-wave-function-and-energy-0710.2999"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/nonadiabatic-corrections-to-the-wave-function-and-energy-0710.2999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-corrections-to-the-wave-function-and-energy-0710.2999"/></url>
<url><loc>https://scifaro.com/zh/abs/nonadiabatic-corrections-to-the-wave-function-and-energy-0710.2999</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-corrections-to-the-wave-function-and-energy-0710.2999"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/nonadiabatic-corrections-to-the-wave-function-and-energy-0710.2999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-corrections-to-the-wave-function-and-energy-0710.2999"/></url>
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<url><loc>https://scifaro.com/zh/abs/noise-auto-correlation-spectroscopy-with-coherent-raman-scattering-0710.3173</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noise-auto-correlation-spectroscopy-with-coherent-raman-scattering-0710.3173"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/noise-auto-correlation-spectroscopy-with-coherent-raman-scattering-0710.3173"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noise-auto-correlation-spectroscopy-with-coherent-raman-scattering-0710.3173"/></url>
<url><loc>https://scifaro.com/en/abs/internal-state-thermometry-by-depletion-spectroscopy-in-a-cold-guided-beam-of-formaldehyde-0710.3316</loc><lastmod>2011-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/internal-state-thermometry-by-depletion-spectroscopy-in-a-cold-guided-beam-of-formaldehyde-0710.3316"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/internal-state-thermometry-by-depletion-spectroscopy-in-a-cold-guided-beam-of-formaldehyde-0710.3316"/></url>
<url><loc>https://scifaro.com/en/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iv-reorientational-rate-0710.3583</loc><lastmod>2007-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iv-reorientational-rate-0710.3583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/off-center-impurity-in-alkali-halides-reorientation-electric-polarization-and-pairing-to-f-center-iv-reorientational-rate-0710.3583"/></url>
<url><loc>https://scifaro.com/en/abs/collisional-quenching-at-ultralow-energies-controlling-efficiency-with-internal-state-selection-0710.4892</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collisional-quenching-at-ultralow-energies-controlling-efficiency-with-internal-state-selection-0710.4892"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/collisional-quenching-at-ultralow-energies-controlling-efficiency-with-internal-state-selection-0710.4892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collisional-quenching-at-ultralow-energies-controlling-efficiency-with-internal-state-selection-0710.4892"/></url>
<url><loc>https://scifaro.com/zh/abs/collisional-quenching-at-ultralow-energies-controlling-efficiency-with-internal-state-selection-0710.4892</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collisional-quenching-at-ultralow-energies-controlling-efficiency-with-internal-state-selection-0710.4892"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/collisional-quenching-at-ultralow-energies-controlling-efficiency-with-internal-state-selection-0710.4892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collisional-quenching-at-ultralow-energies-controlling-efficiency-with-internal-state-selection-0710.4892"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-for-the-photoionization-dynamics-of-uracil-0710.4904</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-for-the-photoionization-dynamics-of-uracil-0710.4904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-for-the-photoionization-dynamics-of-uracil-0710.4904"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-scattering-approach-to-low-energy-electron-collisions-with-the-water-dimer-0710.5499</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-scattering-approach-to-low-energy-electron-collisions-with-the-water-dimer-0710.5499"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/multiple-scattering-approach-to-low-energy-electron-collisions-with-the-water-dimer-0710.5499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-scattering-approach-to-low-energy-electron-collisions-with-the-water-dimer-0710.5499"/></url>
<url><loc>https://scifaro.com/zh/abs/multiple-scattering-approach-to-low-energy-electron-collisions-with-the-water-dimer-0710.5499</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-scattering-approach-to-low-energy-electron-collisions-with-the-water-dimer-0710.5499"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/multiple-scattering-approach-to-low-energy-electron-collisions-with-the-water-dimer-0710.5499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-scattering-approach-to-low-energy-electron-collisions-with-the-water-dimer-0710.5499"/></url>
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<url><loc>https://scifaro.com/en/abs/isolated-vibrational-wavepackets-in-d2-defining-superposition-conditions-and-wavepacket-distinguishability-0711.0953</loc><lastmod>2007-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isolated-vibrational-wavepackets-in-d2-defining-superposition-conditions-and-wavepacket-distinguishability-0711.0953"/><xhtml:link rel="alternate" hreflang="zh" href="https://scifaro.com/zh/abs/isolated-vibrational-wavepackets-in-d2-defining-superposition-conditions-and-wavepacket-distinguishability-0711.0953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isolated-vibrational-wavepackets-in-d2-defining-superposition-conditions-and-wavepacket-distinguishability-0711.0953"/></url>
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<url><loc>https://scifaro.com/en/abs/theory-of-x-ray-absorption-by-laser-aligned-symmetric-top-molecules-0711.3203</loc><lastmod>2008-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-x-ray-absorption-by-laser-aligned-symmetric-top-molecules-0711.3203"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-x-ray-absorption-by-laser-aligned-symmetric-top-molecules-0711.3203"/></url>
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<url><loc>https://scifaro.com/en/abs/correlation-polarization-effects-in-electron-positron-scattering-from-acetylene-a-comparison-of-computational-models-0711.4279</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-polarization-effects-in-electron-positron-scattering-from-acetylene-a-comparison-of-computational-models-0711.4279"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-polarization-effects-in-electron-positron-scattering-from-acetylene-a-comparison-of-computational-models-0711.4279"/></url>
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<url><loc>https://scifaro.com/en/abs/colossal-van-der-waals-small-polaron-superlattice-a-hint-to-understanding-the-colossal-magnetoresistance-and-electroresistance-in-manganites-0711.4601</loc><lastmod>2007-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/colossal-van-der-waals-small-polaron-superlattice-a-hint-to-understanding-the-colossal-magnetoresistance-and-electroresistance-in-manganites-0711.4601"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/colossal-van-der-waals-small-polaron-superlattice-a-hint-to-understanding-the-colossal-magnetoresistance-and-electroresistance-in-manganites-0711.4601"/></url>
<url><loc>https://scifaro.com/en/abs/instabilities-at-vicinal-crystal-surfaces-competition-between-the-electromigration-of-the-adatoms-and-the-kinetic-memory-effect-0712.0749</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/instabilities-at-vicinal-crystal-surfaces-competition-between-the-electromigration-of-the-adatoms-and-the-kinetic-memory-effect-0712.0749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/instabilities-at-vicinal-crystal-surfaces-competition-between-the-electromigration-of-the-adatoms-and-the-kinetic-memory-effect-0712.0749"/></url>
<url><loc>https://scifaro.com/en/abs/exchange-effects-in-elastic-collisions-of-spin-polarized-electrons-with-open-shell-molecules-with-3-sigma-g-symmetry-0712.1068</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-effects-in-elastic-collisions-of-spin-polarized-electrons-with-open-shell-molecules-with-3-sigma-g-symmetry-0712.1068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-effects-in-elastic-collisions-of-spin-polarized-electrons-with-open-shell-molecules-with-3-sigma-g-symmetry-0712.1068"/></url>
<url><loc>https://scifaro.com/en/abs/arsenic-uptake-by-gypsum-and-calcite-modeling-and-probing-by-neutron-and-x-ray-scattering-0712.1307</loc><lastmod>2007-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/arsenic-uptake-by-gypsum-and-calcite-modeling-and-probing-by-neutron-and-x-ray-scattering-0712.1307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/arsenic-uptake-by-gypsum-and-calcite-modeling-and-probing-by-neutron-and-x-ray-scattering-0712.1307"/></url>
<url><loc>https://scifaro.com/en/abs/rich-methane-laminar-flames-doped-with-light-unsaturated-hydrocarbons-part-iii-cyclopentene-0712.1423</loc><lastmod>2007-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rich-methane-laminar-flames-doped-with-light-unsaturated-hydrocarbons-part-iii-cyclopentene-0712.1423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rich-methane-laminar-flames-doped-with-light-unsaturated-hydrocarbons-part-iii-cyclopentene-0712.1423"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-and-modeling-study-of-the-autoignition-of-cyclopentane-0712.1433</loc><lastmod>2007-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-and-modeling-study-of-the-autoignition-of-cyclopentane-0712.1433"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-and-modeling-study-of-the-autoignition-of-cyclopentane-0712.1433"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-energies-from-ground-state-density-functionals-by-means-of-generator-coordinates-0712.1586</loc><lastmod>2009-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-energies-from-ground-state-density-functionals-by-means-of-generator-coordinates-0712.1586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-energies-from-ground-state-density-functionals-by-means-of-generator-coordinates-0712.1586"/></url>
<url><loc>https://scifaro.com/en/abs/spin-states-of-zigzag-edged-mobius-graphene-nanoribbons-from-first-principles-0712.1862</loc><lastmod>2008-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-states-of-zigzag-edged-mobius-graphene-nanoribbons-from-first-principles-0712.1862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-states-of-zigzag-edged-mobius-graphene-nanoribbons-from-first-principles-0712.1862"/></url>
<url><loc>https://scifaro.com/en/abs/the-simulation-of-high-pressure-nucleation-experiments-in-diffusion-cloud-chamber-0712.1944</loc><lastmod>2007-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-simulation-of-high-pressure-nucleation-experiments-in-diffusion-cloud-chamber-0712.1944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-simulation-of-high-pressure-nucleation-experiments-in-diffusion-cloud-chamber-0712.1944"/></url>
<url><loc>https://scifaro.com/en/abs/carbon-in-the-trigonal-prismatic-environment-of-rheniums-complexes-0712.2278</loc><lastmod>2007-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/carbon-in-the-trigonal-prismatic-environment-of-rheniums-complexes-0712.2278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/carbon-in-the-trigonal-prismatic-environment-of-rheniums-complexes-0712.2278"/></url>
<url><loc>https://scifaro.com/en/abs/empirical-analysis-of-the-lieb-oxford-bound-in-ions-and-molecules-0712.2342</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/empirical-analysis-of-the-lieb-oxford-bound-in-ions-and-molecules-0712.2342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/empirical-analysis-of-the-lieb-oxford-bound-in-ions-and-molecules-0712.2342"/></url>
<url><loc>https://scifaro.com/en/abs/nonrelativistic-quasirelativistic-and-relativistic-sets-of-wave-functions-and-slater-orbitals-of-particles-with-arbitrary-spin-0712.4065</loc><lastmod>2007-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonrelativistic-quasirelativistic-and-relativistic-sets-of-wave-functions-and-slater-orbitals-of-particles-with-arbitrary-spin-0712.4065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonrelativistic-quasirelativistic-and-relativistic-sets-of-wave-functions-and-slater-orbitals-of-particles-with-arbitrary-spin-0712.4065"/></url>
<url><loc>https://scifaro.com/en/abs/electron-impact-excitations-of-s2-molecules-0712.4098</loc><lastmod>2008-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-impact-excitations-of-s2-molecules-0712.4098"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-impact-excitations-of-s2-molecules-0712.4098"/></url>
<url><loc>https://scifaro.com/en/abs/multipole-characteristics-of-the-open-shell-electron-eigenstates-0712.4227</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multipole-characteristics-of-the-open-shell-electron-eigenstates-0712.4227"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multipole-characteristics-of-the-open-shell-electron-eigenstates-0712.4227"/></url>
<url><loc>https://scifaro.com/en/abs/non-equilibrium-thermodynamics-formalism-for-marcus-cross-exchange-electron-transfer-reaction-rates-0801.0053</loc><lastmod>2008-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-equilibrium-thermodynamics-formalism-for-marcus-cross-exchange-electron-transfer-reaction-rates-0801.0053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-equilibrium-thermodynamics-formalism-for-marcus-cross-exchange-electron-transfer-reaction-rates-0801.0053"/></url>
<url><loc>https://scifaro.com/en/abs/ortho-para-transition-in-molecular-hydrogen-0801.0561</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ortho-para-transition-in-molecular-hydrogen-0801.0561"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ortho-para-transition-in-molecular-hydrogen-0801.0561"/></url>
<url><loc>https://scifaro.com/en/abs/structure-of-chalcogenide-glasses-by-neutron-diffraction-0801.0868</loc><lastmod>2008-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-of-chalcogenide-glasses-by-neutron-diffraction-0801.0868"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-of-chalcogenide-glasses-by-neutron-diffraction-0801.0868"/></url>
<url><loc>https://scifaro.com/en/abs/without-spectroscopy-at-the-beginning-catalysis-research-proceeded-in-the-wrong-direction-for-more-than-100-years-0801.1322</loc><lastmod>2008-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/without-spectroscopy-at-the-beginning-catalysis-research-proceeded-in-the-wrong-direction-for-more-than-100-years-0801.1322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/without-spectroscopy-at-the-beginning-catalysis-research-proceeded-in-the-wrong-direction-for-more-than-100-years-0801.1322"/></url>
<url><loc>https://scifaro.com/en/abs/arsenite-sorption-and-co-precipitation-with-calcite-0801.1738</loc><lastmod>2008-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/arsenite-sorption-and-co-precipitation-with-calcite-0801.1738"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/arsenite-sorption-and-co-precipitation-with-calcite-0801.1738"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-of-dissipative-particle-dynamics-in-fluctuating-hydrodynamics-simulations-0801.2357</loc><lastmod>2016-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-of-dissipative-particle-dynamics-in-fluctuating-hydrodynamics-simulations-0801.2357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-of-dissipative-particle-dynamics-in-fluctuating-hydrodynamics-simulations-0801.2357"/></url>
<url><loc>https://scifaro.com/en/abs/numeric-modeling-of-fire-suppression-by-organophosphorous-inhibitors-0801.2362</loc><lastmod>2008-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numeric-modeling-of-fire-suppression-by-organophosphorous-inhibitors-0801.2362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numeric-modeling-of-fire-suppression-by-organophosphorous-inhibitors-0801.2362"/></url>
<url><loc>https://scifaro.com/en/abs/to-better-understand-the-formation-of-short-chain-acids-in-combustion-systems-0801.2645</loc><lastmod>2008-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/to-better-understand-the-formation-of-short-chain-acids-in-combustion-systems-0801.2645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/to-better-understand-the-formation-of-short-chain-acids-in-combustion-systems-0801.2645"/></url>
<url><loc>https://scifaro.com/en/abs/fluctuation-induced-homochirality-0801.2841</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fluctuation-induced-homochirality-0801.2841"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fluctuation-induced-homochirality-0801.2841"/></url>
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<url><loc>https://scifaro.com/en/abs/equivalent-electric-circuit-of-a-carbon-nanotube-based-molecular-conductor-0801.3914</loc><lastmod>2008-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equivalent-electric-circuit-of-a-carbon-nanotube-based-molecular-conductor-0801.3914"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equivalent-electric-circuit-of-a-carbon-nanotube-based-molecular-conductor-0801.3914"/></url>
<url><loc>https://scifaro.com/en/abs/structures-of-molecules-at-the-atomic-level-caffeine-and-related-compounds-0801.4261</loc><lastmod>2008-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structures-of-molecules-at-the-atomic-level-caffeine-and-related-compounds-0801.4261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structures-of-molecules-at-the-atomic-level-caffeine-and-related-compounds-0801.4261"/></url>
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<url><loc>https://scifaro.com/en/abs/an-x-ray-probe-of-laser-aligned-molecules-0802.1894</loc><lastmod>2008-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-x-ray-probe-of-laser-aligned-molecules-0802.1894"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-x-ray-probe-of-laser-aligned-molecules-0802.1894"/></url>
<url><loc>https://scifaro.com/en/abs/a-selector-for-structural-isomers-of-neutral-molecules-0802.2795</loc><lastmod>2008-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-selector-for-structural-isomers-of-neutral-molecules-0802.2795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-selector-for-structural-isomers-of-neutral-molecules-0802.2795"/></url>
<url><loc>https://scifaro.com/en/abs/reflection-of-oh-molecules-from-magnetic-mirrors-0802.2902</loc><lastmod>2008-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reflection-of-oh-molecules-from-magnetic-mirrors-0802.2902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reflection-of-oh-molecules-from-magnetic-mirrors-0802.2902"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-initial-condition-sampling-for-linearized-density-matrix-dynamics-vibrational-pure-dephasing-of-iodine-in-krypton-matrices-0802.2929</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-initial-condition-sampling-for-linearized-density-matrix-dynamics-vibrational-pure-dephasing-of-iodine-in-krypton-matrices-0802.2929"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-initial-condition-sampling-for-linearized-density-matrix-dynamics-vibrational-pure-dephasing-of-iodine-in-krypton-matrices-0802.2929"/></url>
<url><loc>https://scifaro.com/en/abs/universal-properties-of-a-single-polymer-chain-in-slit-scaling-versus-md-simulations-0802.3116</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-properties-of-a-single-polymer-chain-in-slit-scaling-versus-md-simulations-0802.3116"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-properties-of-a-single-polymer-chain-in-slit-scaling-versus-md-simulations-0802.3116"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-dipole-free-sum-over-states-expression-for-the-second-hyperpolarizability-0802.3607</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-dipole-free-sum-over-states-expression-for-the-second-hyperpolarizability-0802.3607"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-dipole-free-sum-over-states-expression-for-the-second-hyperpolarizability-0802.3607"/></url>
<url><loc>https://scifaro.com/en/abs/ni-reactions-with-aminoacetonitrile-a-potential-prebiological-precursor-of-glycine-0802.4180</loc><lastmod>2008-02-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ni-reactions-with-aminoacetonitrile-a-potential-prebiological-precursor-of-glycine-0802.4180"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ni-reactions-with-aminoacetonitrile-a-potential-prebiological-precursor-of-glycine-0802.4180"/></url>
<url><loc>https://scifaro.com/en/abs/the-empirical-equilibrium-structure-of-diacetylene-0802.4200</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-empirical-equilibrium-structure-of-diacetylene-0802.4200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-empirical-equilibrium-structure-of-diacetylene-0802.4200"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-the-vertical-movement-of-an-isothermal-line-at-the-density-maximum-in-h2o-and-d2o-0803.0730</loc><lastmod>2008-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-the-vertical-movement-of-an-isothermal-line-at-the-density-maximum-in-h2o-and-d2o-0803.0730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-the-vertical-movement-of-an-isothermal-line-at-the-density-maximum-in-h2o-and-d2o-0803.0730"/></url>
<url><loc>https://scifaro.com/en/abs/fixed-node-diffusion-monte-carlo-study-of-the-structures-of-m-benzyne-0803.0946</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fixed-node-diffusion-monte-carlo-study-of-the-structures-of-m-benzyne-0803.0946"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fixed-node-diffusion-monte-carlo-study-of-the-structures-of-m-benzyne-0803.0946"/></url>
<url><loc>https://scifaro.com/en/abs/conceivable-helical-form-of-light-propagation-may-signify-symmetry-breaking-similar-to-jahn-teller-effects-0803.0976</loc><lastmod>2008-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conceivable-helical-form-of-light-propagation-may-signify-symmetry-breaking-similar-to-jahn-teller-effects-0803.0976"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conceivable-helical-form-of-light-propagation-may-signify-symmetry-breaking-similar-to-jahn-teller-effects-0803.0976"/></url>
<url><loc>https://scifaro.com/en/abs/a-singular-perturbation-approach-to-the-steady-state-1d-poisson-nernst-planck-modeling-0803.1461</loc><lastmod>2008-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-singular-perturbation-approach-to-the-steady-state-1d-poisson-nernst-planck-modeling-0803.1461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-singular-perturbation-approach-to-the-steady-state-1d-poisson-nernst-planck-modeling-0803.1461"/></url>
<url><loc>https://scifaro.com/en/abs/dye-sensitized-nanostructured-tio2-film-based-photoconductor-0803.1745</loc><lastmod>2008-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dye-sensitized-nanostructured-tio2-film-based-photoconductor-0803.1745"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dye-sensitized-nanostructured-tio2-film-based-photoconductor-0803.1745"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-molecular-dynamics-simulation-of-a-task-specific-ionic-liquid-based-on-silver-olefin-complex-atomistic-insight-into-separation-process-0803.2190</loc><lastmod>2008-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-molecular-dynamics-simulation-of-a-task-specific-ionic-liquid-based-on-silver-olefin-complex-atomistic-insight-into-separation-process-0803.2190"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-molecular-dynamics-simulation-of-a-task-specific-ionic-liquid-based-on-silver-olefin-complex-atomistic-insight-into-separation-process-0803.2190"/></url>
<url><loc>https://scifaro.com/en/abs/gibbs-paradox-and-the-concepts-of-information-symmetry-similarity-and-their-relationship-0803.2571</loc><lastmod>2008-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gibbs-paradox-and-the-concepts-of-information-symmetry-similarity-and-their-relationship-0803.2571"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gibbs-paradox-and-the-concepts-of-information-symmetry-similarity-and-their-relationship-0803.2571"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-polarizability-of-rotating-particles-in-electrorheological-fluids-0803.2923</loc><lastmod>2008-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-polarizability-of-rotating-particles-in-electrorheological-fluids-0803.2923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-polarizability-of-rotating-particles-in-electrorheological-fluids-0803.2923"/></url>
<url><loc>https://scifaro.com/en/abs/force-quantum-mechanics-and-approximate-energy-eigenstates-0803.3371</loc><lastmod>2008-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/force-quantum-mechanics-and-approximate-energy-eigenstates-0803.3371"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/force-quantum-mechanics-and-approximate-energy-eigenstates-0803.3371"/></url>
<url><loc>https://scifaro.com/en/abs/critique-of-some-thermodynamic-proofs-based-on-the-pump-engine-couple-0803.3494</loc><lastmod>2008-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/critique-of-some-thermodynamic-proofs-based-on-the-pump-engine-couple-0803.3494"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/critique-of-some-thermodynamic-proofs-based-on-the-pump-engine-couple-0803.3494"/></url>
<url><loc>https://scifaro.com/en/abs/state-resolved-rotational-cross-sections-and-thermal-rate-coefficients-for-ortho-para-h2-hd-at-low-temperatures-and-hd-hd-elastic-scattering-0803.4043</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-resolved-rotational-cross-sections-and-thermal-rate-coefficients-for-ortho-para-h2-hd-at-low-temperatures-and-hd-hd-elastic-scattering-0803.4043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-resolved-rotational-cross-sections-and-thermal-rate-coefficients-for-ortho-para-h2-hd-at-low-temperatures-and-hd-hd-elastic-scattering-0803.4043"/></url>
<url><loc>https://scifaro.com/en/abs/melting-and-freezing-of-argon-in-a-granular-packing-of-linear-mesopore-arrays-0803.4256</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/melting-and-freezing-of-argon-in-a-granular-packing-of-linear-mesopore-arrays-0803.4256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/melting-and-freezing-of-argon-in-a-granular-packing-of-linear-mesopore-arrays-0803.4256"/></url>
<url><loc>https://scifaro.com/en/abs/tip-enhanced-raman-imaging-and-spectroscopy-sensitivity-symmetry-and-selection-rules-0803.4464</loc><lastmod>2008-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tip-enhanced-raman-imaging-and-spectroscopy-sensitivity-symmetry-and-selection-rules-0803.4464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tip-enhanced-raman-imaging-and-spectroscopy-sensitivity-symmetry-and-selection-rules-0803.4464"/></url>
<url><loc>https://scifaro.com/en/abs/in-search-of-a-structural-model-for-a-thiolate-protected-au38-cluster-0804.0018</loc><lastmod>2008-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-search-of-a-structural-model-for-a-thiolate-protected-au38-cluster-0804.0018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-search-of-a-structural-model-for-a-thiolate-protected-au38-cluster-0804.0018"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-quantum-phase-transistor-0804.0058</loc><lastmod>2008-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-quantum-phase-transistor-0804.0058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-quantum-phase-transistor-0804.0058"/></url>
<url><loc>https://scifaro.com/en/abs/two-level-chromophore-and-irreversibility-0804.0086</loc><lastmod>2009-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-level-chromophore-and-irreversibility-0804.0086"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-level-chromophore-and-irreversibility-0804.0086"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopy-of-formaldehyde-in-the-30140-30790cm-1-range-0804.0207</loc><lastmod>2008-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopy-of-formaldehyde-in-the-30140-30790cm-1-range-0804.0207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopy-of-formaldehyde-in-the-30140-30790cm-1-range-0804.0207"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-free-effective-embedding-potential-at-nuclear-cusp-0804.0602</loc><lastmod>2008-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-free-effective-embedding-potential-at-nuclear-cusp-0804.0602"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-free-effective-embedding-potential-at-nuclear-cusp-0804.0602"/></url>
<url><loc>https://scifaro.com/en/abs/paired-orbitals-for-different-spins-equations-0804.0967</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/paired-orbitals-for-different-spins-equations-0804.0967"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/paired-orbitals-for-different-spins-equations-0804.0967"/></url>
<url><loc>https://scifaro.com/en/abs/fully-symmetrized-vb-based-technique-for-solving-exchange-hamiltonians-of-molecular-magnets-0804.1319</loc><lastmod>2012-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fully-symmetrized-vb-based-technique-for-solving-exchange-hamiltonians-of-molecular-magnets-0804.1319"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fully-symmetrized-vb-based-technique-for-solving-exchange-hamiltonians-of-molecular-magnets-0804.1319"/></url>
<url><loc>https://scifaro.com/en/abs/incoherent-quasielastic-neutron-scattering-study-of-molecular-dynamics-of-4-n-cyano-4-octylbiphenyl-0804.1622</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/incoherent-quasielastic-neutron-scattering-study-of-molecular-dynamics-of-4-n-cyano-4-octylbiphenyl-0804.1622"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/incoherent-quasielastic-neutron-scattering-study-of-molecular-dynamics-of-4-n-cyano-4-octylbiphenyl-0804.1622"/></url>
<url><loc>https://scifaro.com/en/abs/one-dimensional-semiconductor-in-a-polar-solvent-solvation-and-low-frequency-dynamics-of-an-excess-charge-carrier-0804.1767</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/one-dimensional-semiconductor-in-a-polar-solvent-solvation-and-low-frequency-dynamics-of-an-excess-charge-carrier-0804.1767"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/one-dimensional-semiconductor-in-a-polar-solvent-solvation-and-low-frequency-dynamics-of-an-excess-charge-carrier-0804.1767"/></url>
<url><loc>https://scifaro.com/en/abs/evolution-from-a-molecular-rydberg-gas-to-an-ultracold-plasma-in-a-seeded-supersonic-expansion-of-no-0804.1986</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evolution-from-a-molecular-rydberg-gas-to-an-ultracold-plasma-in-a-seeded-supersonic-expansion-of-no-0804.1986"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evolution-from-a-molecular-rydberg-gas-to-an-ultracold-plasma-in-a-seeded-supersonic-expansion-of-no-0804.1986"/></url>
<url><loc>https://scifaro.com/en/abs/self-pinning-protein-laden-drops-0804.2100</loc><lastmod>2008-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-pinning-protein-laden-drops-0804.2100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-pinning-protein-laden-drops-0804.2100"/></url>
<url><loc>https://scifaro.com/en/abs/anomalous-effects-in-air-while-cooling-water-0804.2274</loc><lastmod>2008-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anomalous-effects-in-air-while-cooling-water-0804.2274"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anomalous-effects-in-air-while-cooling-water-0804.2274"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-dependence-of-evaporation-coeffcient-of-water-in-air-and-nitrogen-under-atmospheric-pressure-study-in-water-droplets-0804.3281</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-dependence-of-evaporation-coeffcient-of-water-in-air-and-nitrogen-under-atmospheric-pressure-study-in-water-droplets-0804.3281"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-dependence-of-evaporation-coeffcient-of-water-in-air-and-nitrogen-under-atmospheric-pressure-study-in-water-droplets-0804.3281"/></url>
<url><loc>https://scifaro.com/en/abs/an-analytic-model-of-rotationally-inelastic-collisions-of-polar-molecules-in-electric-fields-0804.3318</loc><lastmod>2008-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-analytic-model-of-rotationally-inelastic-collisions-of-polar-molecules-in-electric-fields-0804.3318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-analytic-model-of-rotationally-inelastic-collisions-of-polar-molecules-in-electric-fields-0804.3318"/></url>
<url><loc>https://scifaro.com/en/abs/fourier-expansions-for-the-potentials-of-lattices-of-charge-0804.3821</loc><lastmod>2008-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fourier-expansions-for-the-potentials-of-lattices-of-charge-0804.3821"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fourier-expansions-for-the-potentials-of-lattices-of-charge-0804.3821"/></url>
<url><loc>https://scifaro.com/en/abs/directional-states-of-symmetric-top-molecules-produced-by-combined-static-and-radiative-electric-fields-0804.4566</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/directional-states-of-symmetric-top-molecules-produced-by-combined-static-and-radiative-electric-fields-0804.4566"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/directional-states-of-symmetric-top-molecules-produced-by-combined-static-and-radiative-electric-fields-0804.4566"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-rate-of-dissociative-recombination-of-hco-and-dco-ions-0804.4642</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-rate-of-dissociative-recombination-of-hco-and-dco-ions-0804.4642"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-rate-of-dissociative-recombination-of-hco-and-dco-ions-0804.4642"/></url>
<url><loc>https://scifaro.com/en/abs/the-effect-of-a-nonresonant-radiative-field-on-low-energy-rotationally-inelastic-text-na-text-n-2-collisions-0804.4845</loc><lastmod>2009-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effect-of-a-nonresonant-radiative-field-on-low-energy-rotationally-inelastic-text-na-text-n-2-collisions-0804.4845"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effect-of-a-nonresonant-radiative-field-on-low-energy-rotationally-inelastic-text-na-text-n-2-collisions-0804.4845"/></url>
<url><loc>https://scifaro.com/en/abs/combined-theory-of-complete-orthonormal-sets-of-quasirelativistic-and-relativistic-sets-of-wave-functions-and-slater-orbitals-of-spin-1-2-particles-in-position-momentum-and-four-dimensional-spaces-0805.0527</loc><lastmod>2008-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combined-theory-of-complete-orthonormal-sets-of-quasirelativistic-and-relativistic-sets-of-wave-functions-and-slater-orbitals-of-spin-1-2-particles-in-position-momentum-and-four-dimensional-spaces-0805.0527"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combined-theory-of-complete-orthonormal-sets-of-quasirelativistic-and-relativistic-sets-of-wave-functions-and-slater-orbitals-of-spin-1-2-particles-in-position-momentum-and-four-dimensional-spaces-0805.0527"/></url>
<url><loc>https://scifaro.com/en/abs/the-prospects-for-producing-ultracold-nh-3-molecules-by-sympathetic-cooling-a-survey-of-interaction-potentials-0805.1705</loc><lastmod>2010-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-prospects-for-producing-ultracold-nh-3-molecules-by-sympathetic-cooling-a-survey-of-interaction-potentials-0805.1705"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-prospects-for-producing-ultracold-nh-3-molecules-by-sympathetic-cooling-a-survey-of-interaction-potentials-0805.1705"/></url>
<url><loc>https://scifaro.com/en/abs/about-non-existence-of-the-molecular-ion-bf-h-3-0805.1796</loc><lastmod>2008-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/about-non-existence-of-the-molecular-ion-bf-h-3-0805.1796"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/about-non-existence-of-the-molecular-ion-bf-h-3-0805.1796"/></url>
<url><loc>https://scifaro.com/en/abs/textural-properties-of-synthetic-nano-calcite-produced-by-hydrothermal-carbonation-of-calcium-hydroxide-0805.1994</loc><lastmod>2008-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/textural-properties-of-synthetic-nano-calcite-produced-by-hydrothermal-carbonation-of-calcium-hydroxide-0805.1994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/textural-properties-of-synthetic-nano-calcite-produced-by-hydrothermal-carbonation-of-calcium-hydroxide-0805.1994"/></url>
<url><loc>https://scifaro.com/en/abs/use-of-combined-hartree-fock-roothaan-theory-in-evaluation-of-lowest-states-of-k-ar-4s-0-3d-1-and-cr-ar-4s-0-3d-5-isoelectronic-series-over-noninteger-n-slater-type-orbitals-0805.2692</loc><lastmod>2012-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/use-of-combined-hartree-fock-roothaan-theory-in-evaluation-of-lowest-states-of-k-ar-4s-0-3d-1-and-cr-ar-4s-0-3d-5-isoelectronic-series-over-noninteger-n-slater-type-orbitals-0805.2692"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/use-of-combined-hartree-fock-roothaan-theory-in-evaluation-of-lowest-states-of-k-ar-4s-0-3d-1-and-cr-ar-4s-0-3d-5-isoelectronic-series-over-noninteger-n-slater-type-orbitals-0805.2692"/></url>
<url><loc>https://scifaro.com/en/abs/non-isothermal-model-for-nematic-spherulite-growth-0805.3539</loc><lastmod>2008-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-isothermal-model-for-nematic-spherulite-growth-0805.3539"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-isothermal-model-for-nematic-spherulite-growth-0805.3539"/></url>
<url><loc>https://scifaro.com/en/abs/many-body-meets-qm-mm-application-to-indole-in-water-solution-0805.3829</loc><lastmod>2008-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-body-meets-qm-mm-application-to-indole-in-water-solution-0805.3829"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-body-meets-qm-mm-application-to-indole-in-water-solution-0805.3829"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-gas-flow-rate-on-liquid-distribution-in-trickle-beds-using-perforated-plates-as-liquid-distributors-0805.4109</loc><lastmod>2009-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-gas-flow-rate-on-liquid-distribution-in-trickle-beds-using-perforated-plates-as-liquid-distributors-0805.4109"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-gas-flow-rate-on-liquid-distribution-in-trickle-beds-using-perforated-plates-as-liquid-distributors-0805.4109"/></url>
<url><loc>https://scifaro.com/en/abs/parameterization-of-theoretical-methods-in-the-calculation-of-nano-expulsion-energies-0805.4413</loc><lastmod>2008-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parameterization-of-theoretical-methods-in-the-calculation-of-nano-expulsion-energies-0805.4413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parameterization-of-theoretical-methods-in-the-calculation-of-nano-expulsion-energies-0805.4413"/></url>
<url><loc>https://scifaro.com/en/abs/electron-spin-relaxation-and-39k-pulsed-endor-studies-on-cr5-doped-k3nbo8-at-9-7-and-240-ghz-0805.4428</loc><lastmod>2008-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-spin-relaxation-and-39k-pulsed-endor-studies-on-cr5-doped-k3nbo8-at-9-7-and-240-ghz-0805.4428"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-spin-relaxation-and-39k-pulsed-endor-studies-on-cr5-doped-k3nbo8-at-9-7-and-240-ghz-0805.4428"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-extraction-of-cold-molecules-from-a-cryogenic-reservoir-0806.2523</loc><lastmod>2009-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-extraction-of-cold-molecules-from-a-cryogenic-reservoir-0806.2523"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-extraction-of-cold-molecules-from-a-cryogenic-reservoir-0806.2523"/></url>
<url><loc>https://scifaro.com/en/abs/avoided-crossings-between-bound-states-of-ultracold-cesium-dimers-0806.2583</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/avoided-crossings-between-bound-states-of-ultracold-cesium-dimers-0806.2583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/avoided-crossings-between-bound-states-of-ultracold-cesium-dimers-0806.2583"/></url>
<url><loc>https://scifaro.com/en/abs/perturbation-assisted-laser-induced-atomic-fragment-fluorescence-spectroscopy-a-facile-route-to-spin-forbidden-states-0806.2750</loc><lastmod>2009-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perturbation-assisted-laser-induced-atomic-fragment-fluorescence-spectroscopy-a-facile-route-to-spin-forbidden-states-0806.2750"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perturbation-assisted-laser-induced-atomic-fragment-fluorescence-spectroscopy-a-facile-route-to-spin-forbidden-states-0806.2750"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-above-threshold-dissociation-of-na-2-in-intense-laser-fields-0806.2762</loc><lastmod>2008-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-above-threshold-dissociation-of-na-2-in-intense-laser-fields-0806.2762"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-above-threshold-dissociation-of-na-2-in-intense-laser-fields-0806.2762"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-kinetic-energy-paradox-in-quantum-mechanics-0806.3232</loc><lastmod>2008-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-kinetic-energy-paradox-in-quantum-mechanics-0806.3232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-kinetic-energy-paradox-in-quantum-mechanics-0806.3232"/></url>
<url><loc>https://scifaro.com/en/abs/binding-isotherms-and-cooperative-effects-for-metal-dna-complexes-0806.3368</loc><lastmod>2008-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binding-isotherms-and-cooperative-effects-for-metal-dna-complexes-0806.3368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binding-isotherms-and-cooperative-effects-for-metal-dna-complexes-0806.3368"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-photoionization-of-azulene-competition-between-ionization-and-relaxation-in-highly-excited-states-0806.3400</loc><lastmod>2008-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-photoionization-of-azulene-competition-between-ionization-and-relaxation-in-highly-excited-states-0806.3400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-photoionization-of-azulene-competition-between-ionization-and-relaxation-in-highly-excited-states-0806.3400"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-photoionization-of-azulene-optically-induced-anisotropy-on-the-femtosecond-scale-0806.3401</loc><lastmod>2008-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-photoionization-of-azulene-optically-induced-anisotropy-on-the-femtosecond-scale-0806.3401"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-photoionization-of-azulene-optically-induced-anisotropy-on-the-femtosecond-scale-0806.3401"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-and-electrostatic-energies-in-quantum-mechanics-0806.3828</loc><lastmod>2009-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-and-electrostatic-energies-in-quantum-mechanics-0806.3828"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-and-electrostatic-energies-in-quantum-mechanics-0806.3828"/></url>
<url><loc>https://scifaro.com/en/abs/approximation-scheme-for-master-equations-variational-approach-to-multivariate-case-0806.4017</loc><lastmod>2010-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximation-scheme-for-master-equations-variational-approach-to-multivariate-case-0806.4017"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximation-scheme-for-master-equations-variational-approach-to-multivariate-case-0806.4017"/></url>
<url><loc>https://scifaro.com/en/abs/dissecting-the-hydrogen-bond-a-quantum-monte-carlo-approach-0806.4169</loc><lastmod>2008-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissecting-the-hydrogen-bond-a-quantum-monte-carlo-approach-0806.4169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissecting-the-hydrogen-bond-a-quantum-monte-carlo-approach-0806.4169"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-viscosity-for-hfc-134a-polyether-mixtures-up-to-373-15-k-and-140-mpa-at-low-polyether-concentration-measurements-and-modeling-0806.4246</loc><lastmod>2008-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-viscosity-for-hfc-134a-polyether-mixtures-up-to-373-15-k-and-140-mpa-at-low-polyether-concentration-measurements-and-modeling-0806.4246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-viscosity-for-hfc-134a-polyether-mixtures-up-to-373-15-k-and-140-mpa-at-low-polyether-concentration-measurements-and-modeling-0806.4246"/></url>
<url><loc>https://scifaro.com/en/abs/a-full-dimensional-quantum-dynamical-study-of-the-vibrational-ground-state-of-h-3o-2-and-its-isotopomers-0806.4913</loc><lastmod>2008-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-full-dimensional-quantum-dynamical-study-of-the-vibrational-ground-state-of-h-3o-2-and-its-isotopomers-0806.4913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-full-dimensional-quantum-dynamical-study-of-the-vibrational-ground-state-of-h-3o-2-and-its-isotopomers-0806.4913"/></url>
<url><loc>https://scifaro.com/en/abs/optical-absorption-spectra-and-monomer-interaction-in-polymers-investigation-of-exciton-coupling-in-dna-hairpins-0806.4943</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-absorption-spectra-and-monomer-interaction-in-polymers-investigation-of-exciton-coupling-in-dna-hairpins-0806.4943"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-absorption-spectra-and-monomer-interaction-in-polymers-investigation-of-exciton-coupling-in-dna-hairpins-0806.4943"/></url>
<url><loc>https://scifaro.com/en/abs/steric-effect-in-threshold-photoionization-dissociations-of-serine-conformers-0807.0062</loc><lastmod>2008-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steric-effect-in-threshold-photoionization-dissociations-of-serine-conformers-0807.0062"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steric-effect-in-threshold-photoionization-dissociations-of-serine-conformers-0807.0062"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-monte-carlo-studies-of-hydrogen-abstraction-from-graphite-0807.0108</loc><lastmod>2008-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-monte-carlo-studies-of-hydrogen-abstraction-from-graphite-0807.0108"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-monte-carlo-studies-of-hydrogen-abstraction-from-graphite-0807.0108"/></url>
<url><loc>https://scifaro.com/en/abs/single-molecule-electron-diffraction-imaging-with-charge-replacement-0807.0346</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/single-molecule-electron-diffraction-imaging-with-charge-replacement-0807.0346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/single-molecule-electron-diffraction-imaging-with-charge-replacement-0807.0346"/></url>
<url><loc>https://scifaro.com/en/abs/intrinsic-hyperpolarizabilities-as-a-figure-of-merit-for-electro-optic-molecules-0807.0886</loc><lastmod>2008-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrinsic-hyperpolarizabilities-as-a-figure-of-merit-for-electro-optic-molecules-0807.0886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrinsic-hyperpolarizabilities-as-a-figure-of-merit-for-electro-optic-molecules-0807.0886"/></url>
<url><loc>https://scifaro.com/en/abs/how-the-surrounding-water-changes-the-electronic-and-magnetic-properties-of-dna-0807.1048</loc><lastmod>2010-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-the-surrounding-water-changes-the-electronic-and-magnetic-properties-of-dna-0807.1048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-the-surrounding-water-changes-the-electronic-and-magnetic-properties-of-dna-0807.1048"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-dna-on-ag-i-c-phycocyanin-complexes-0807.1209</loc><lastmod>2008-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-dna-on-ag-i-c-phycocyanin-complexes-0807.1209"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-dna-on-ag-i-c-phycocyanin-complexes-0807.1209"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-and-classical-vibrational-relaxation-dynamics-of-n-methylacetamide-on-ab-initio-potential-energy-surfaces-0807.1368</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-and-classical-vibrational-relaxation-dynamics-of-n-methylacetamide-on-ab-initio-potential-energy-surfaces-0807.1368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-and-classical-vibrational-relaxation-dynamics-of-n-methylacetamide-on-ab-initio-potential-energy-surfaces-0807.1368"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-treatment-of-vibrational-energy-relaxation-in-a-heterogeneous-and-fluctuating-environment-0807.1369</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-treatment-of-vibrational-energy-relaxation-in-a-heterogeneous-and-fluctuating-environment-0807.1369"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-treatment-of-vibrational-energy-relaxation-in-a-heterogeneous-and-fluctuating-environment-0807.1369"/></url>
<url><loc>https://scifaro.com/en/abs/rotor-in-a-cage-infrared-spectroscopy-of-an-endohedral-hydrogen-fullerene-complex-0807.1589</loc><lastmod>2009-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotor-in-a-cage-infrared-spectroscopy-of-an-endohedral-hydrogen-fullerene-complex-0807.1589"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotor-in-a-cage-infrared-spectroscopy-of-an-endohedral-hydrogen-fullerene-complex-0807.1589"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-agostic-interactions-in-theory-and-computation-0807.1751</loc><lastmod>2010-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-agostic-interactions-in-theory-and-computation-0807.1751"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-agostic-interactions-in-theory-and-computation-0807.1751"/></url>
<url><loc>https://scifaro.com/en/abs/qtpie-charge-transfer-with-polarization-current-equalization-a-fluctuating-charge-model-with-correct-asymptotics-0807.2068</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qtpie-charge-transfer-with-polarization-current-equalization-a-fluctuating-charge-model-with-correct-asymptotics-0807.2068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qtpie-charge-transfer-with-polarization-current-equalization-a-fluctuating-charge-model-with-correct-asymptotics-0807.2068"/></url>
<url><loc>https://scifaro.com/en/abs/a-unified-theoretical-framework-for-fluctuating-charge-models-in-atom-space-and-in-bond-space-0807.2174</loc><lastmod>2010-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-unified-theoretical-framework-for-fluctuating-charge-models-in-atom-space-and-in-bond-space-0807.2174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-unified-theoretical-framework-for-fluctuating-charge-models-in-atom-space-and-in-bond-space-0807.2174"/></url>
<url><loc>https://scifaro.com/en/abs/a-gradient-directed-monte-carlo-approach-to-molecular-design-0807.2429</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-gradient-directed-monte-carlo-approach-to-molecular-design-0807.2429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-gradient-directed-monte-carlo-approach-to-molecular-design-0807.2429"/></url>
<url><loc>https://scifaro.com/en/abs/qm-mm-lineshape-simulation-of-the-hydrogen-bonded-uracil-nh-stretching-vibration-of-the-adenine-uracil-base-pair-in-cdcl-3-0807.2765</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qm-mm-lineshape-simulation-of-the-hydrogen-bonded-uracil-nh-stretching-vibration-of-the-adenine-uracil-base-pair-in-cdcl-3-0807.2765"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qm-mm-lineshape-simulation-of-the-hydrogen-bonded-uracil-nh-stretching-vibration-of-the-adenine-uracil-base-pair-in-cdcl-3-0807.2765"/></url>
<url><loc>https://scifaro.com/en/abs/a-singularity-in-the-first-order-py-equation-for-a-square-well-fluid-0807.2878</loc><lastmod>2008-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-singularity-in-the-first-order-py-equation-for-a-square-well-fluid-0807.2878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-singularity-in-the-first-order-py-equation-for-a-square-well-fluid-0807.2878"/></url>
<url><loc>https://scifaro.com/en/abs/the-dipole-quadrupole-theory-of-surface-enhanced-raman-scattering-0807.2936</loc><lastmod>2013-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-dipole-quadrupole-theory-of-surface-enhanced-raman-scattering-0807.2936"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-dipole-quadrupole-theory-of-surface-enhanced-raman-scattering-0807.2936"/></url>
<url><loc>https://scifaro.com/en/abs/vibronic-potentials-in-chemical-physics-adiabatic-approximation-vs-supersymmetry-0807.3945</loc><lastmod>2008-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibronic-potentials-in-chemical-physics-adiabatic-approximation-vs-supersymmetry-0807.3945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibronic-potentials-in-chemical-physics-adiabatic-approximation-vs-supersymmetry-0807.3945"/></url>
<url><loc>https://scifaro.com/en/abs/stark-deceleration-of-oh-radicals-in-low-field-seeking-and-high-field-seeking-quantum-states-0807.4022</loc><lastmod>2008-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stark-deceleration-of-oh-radicals-in-low-field-seeking-and-high-field-seeking-quantum-states-0807.4022"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stark-deceleration-of-oh-radicals-in-low-field-seeking-and-high-field-seeking-quantum-states-0807.4022"/></url>
<url><loc>https://scifaro.com/en/abs/gold-copper-silver-and-aluminum-nanoantennas-to-enhance-spontaneous-emission-0807.4082</loc><lastmod>2009-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gold-copper-silver-and-aluminum-nanoantennas-to-enhance-spontaneous-emission-0807.4082"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gold-copper-silver-and-aluminum-nanoantennas-to-enhance-spontaneous-emission-0807.4082"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-a-stochastic-chemical-system-close-to-a-sniper-bifurcation-of-its-mean-field-model-0807.4498</loc><lastmod>2009-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-a-stochastic-chemical-system-close-to-a-sniper-bifurcation-of-its-mean-field-model-0807.4498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-a-stochastic-chemical-system-close-to-a-sniper-bifurcation-of-its-mean-field-model-0807.4498"/></url>
<url><loc>https://scifaro.com/en/abs/simulation-of-spherulite-growth-using-a-comprehensive-approach-to-modeling-the-first-order-isotropic-smectic-a-mesophase-transition-0807.4525</loc><lastmod>2009-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulation-of-spherulite-growth-using-a-comprehensive-approach-to-modeling-the-first-order-isotropic-smectic-a-mesophase-transition-0807.4525"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulation-of-spherulite-growth-using-a-comprehensive-approach-to-modeling-the-first-order-isotropic-smectic-a-mesophase-transition-0807.4525"/></url>
<url><loc>https://scifaro.com/en/abs/fourier-transform-spectroscopy-of-sr2-and-revised-ground-state-potential-0807.4664</loc><lastmod>2009-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fourier-transform-spectroscopy-of-sr2-and-revised-ground-state-potential-0807.4664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fourier-transform-spectroscopy-of-sr2-and-revised-ground-state-potential-0807.4664"/></url>
<url><loc>https://scifaro.com/en/abs/indirect-dissociative-recombination-of-lih-2-e-0807.5046</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/indirect-dissociative-recombination-of-lih-2-e-0807.5046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/indirect-dissociative-recombination-of-lih-2-e-0807.5046"/></url>
<url><loc>https://scifaro.com/en/abs/discrete-thermodynamics-of-chemical-equilibria-0808.0340</loc><lastmod>2008-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/discrete-thermodynamics-of-chemical-equilibria-0808.0340"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/discrete-thermodynamics-of-chemical-equilibria-0808.0340"/></url>
<url><loc>https://scifaro.com/en/abs/restricted-open-shell-kohn-sham-theory-iv-expressions-for-n-unpaired-electrons-0808.1190</loc><lastmod>2008-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/restricted-open-shell-kohn-sham-theory-iv-expressions-for-n-unpaired-electrons-0808.1190"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/restricted-open-shell-kohn-sham-theory-iv-expressions-for-n-unpaired-electrons-0808.1190"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-the-5p-rydberg-states-of-sulfur-difluoride-radical-by-resonance-enhanced-multiphoton-ionization-spectroscopy-0808.1200</loc><lastmod>2008-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-the-5p-rydberg-states-of-sulfur-difluoride-radical-by-resonance-enhanced-multiphoton-ionization-spectroscopy-0808.1200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-the-5p-rydberg-states-of-sulfur-difluoride-radical-by-resonance-enhanced-multiphoton-ionization-spectroscopy-0808.1200"/></url>
<url><loc>https://scifaro.com/en/abs/single-photon-molecular-cooling-0808.1383</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/single-photon-molecular-cooling-0808.1383"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/single-photon-molecular-cooling-0808.1383"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-fluctuations-in-cavities-within-polar-liquids-and-thermodynamics-of-polar-solvation-0808.2278</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-fluctuations-in-cavities-within-polar-liquids-and-thermodynamics-of-polar-solvation-0808.2278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-fluctuations-in-cavities-within-polar-liquids-and-thermodynamics-of-polar-solvation-0808.2278"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-with-full-exact-exchange-balanced-nonlocality-of-correlation-and-constraint-satisfaction-0808.2523</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-with-full-exact-exchange-balanced-nonlocality-of-correlation-and-constraint-satisfaction-0808.2523"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-with-full-exact-exchange-balanced-nonlocality-of-correlation-and-constraint-satisfaction-0808.2523"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-photofragmentation-of-sf-2-experimental-evidence-for-a-predissociation-channel-0808.2622</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-photofragmentation-of-sf-2-experimental-evidence-for-a-predissociation-channel-0808.2622"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-photofragmentation-of-sf-2-experimental-evidence-for-a-predissociation-channel-0808.2622"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-parameter-free-one-center-model-potential-for-an-effective-one-electron-description-of-molecular-hydrogen-0808.3106</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-parameter-free-one-center-model-potential-for-an-effective-one-electron-description-of-molecular-hydrogen-0808.3106"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-parameter-free-one-center-model-potential-for-an-effective-one-electron-description-of-molecular-hydrogen-0808.3106"/></url>
<url><loc>https://scifaro.com/en/abs/mechanisms-of-reversible-photodegradation-in-disperse-orange-11-dye-doped-in-pmma-polymer-0808.3346</loc><lastmod>2008-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanisms-of-reversible-photodegradation-in-disperse-orange-11-dye-doped-in-pmma-polymer-0808.3346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanisms-of-reversible-photodegradation-in-disperse-orange-11-dye-doped-in-pmma-polymer-0808.3346"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-probing-spectroscopy-of-h3-above-the-barrier-to-linearity-0808.3942</loc><lastmod>2010-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-probing-spectroscopy-of-h3-above-the-barrier-to-linearity-0808.3942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-probing-spectroscopy-of-h3-above-the-barrier-to-linearity-0808.3942"/></url>
<url><loc>https://scifaro.com/en/abs/empirical-lcao-parameters-for-pi-molecular-orbitals-in-planar-organic-molecules-0808.3984</loc><lastmod>2009-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/empirical-lcao-parameters-for-pi-molecular-orbitals-in-planar-organic-molecules-0808.3984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/empirical-lcao-parameters-for-pi-molecular-orbitals-in-planar-organic-molecules-0808.3984"/></url>
<url><loc>https://scifaro.com/en/abs/hyperconjugative-effect-on-the-electronic-wavefunctions-of-ethanol-0808.4072</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hyperconjugative-effect-on-the-electronic-wavefunctions-of-ethanol-0808.4072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hyperconjugative-effect-on-the-electronic-wavefunctions-of-ethanol-0808.4072"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-molecular-dynamics-of-laser-manipulated-bromotrifluoromethane-studied-by-x-ray-absorption-0809.0146</loc><lastmod>2008-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-molecular-dynamics-of-laser-manipulated-bromotrifluoromethane-studied-by-x-ray-absorption-0809.0146"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-molecular-dynamics-of-laser-manipulated-bromotrifluoromethane-studied-by-x-ray-absorption-0809.0146"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-the-level-set-method-to-the-implicit-solvation-of-nonpolar-molecules-0809.0181</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-the-level-set-method-to-the-implicit-solvation-of-nonpolar-molecules-0809.0181"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-the-level-set-method-to-the-implicit-solvation-of-nonpolar-molecules-0809.0181"/></url>
<url><loc>https://scifaro.com/en/abs/probing-dynamics-of-single-molecules-non-linear-spectroscopy-approach-0809.1544</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-dynamics-of-single-molecules-non-linear-spectroscopy-approach-0809.1544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-dynamics-of-single-molecules-non-linear-spectroscopy-approach-0809.1544"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-spawning-with-optimal-basis-set-expansion-0809.1703</loc><lastmod>2008-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-spawning-with-optimal-basis-set-expansion-0809.1703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-spawning-with-optimal-basis-set-expansion-0809.1703"/></url>
<url><loc>https://scifaro.com/en/abs/cold-guided-beams-of-water-isotopologs-0809.1728</loc><lastmod>2009-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-guided-beams-of-water-isotopologs-0809.1728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-guided-beams-of-water-isotopologs-0809.1728"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-and-modeling-study-of-the-low-temperature-oxidation-of-large-alkanes-0809.1921</loc><lastmod>2008-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-and-modeling-study-of-the-low-temperature-oxidation-of-large-alkanes-0809.1921"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-and-modeling-study-of-the-low-temperature-oxidation-of-large-alkanes-0809.1921"/></url>
<url><loc>https://scifaro.com/en/abs/variational-and-perturbative-formulations-of-qm-mm-free-energy-with-mean-field-embedding-and-its-analytical-gradients-0809.2292</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-and-perturbative-formulations-of-qm-mm-free-energy-with-mean-field-embedding-and-its-analytical-gradients-0809.2292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-and-perturbative-formulations-of-qm-mm-free-energy-with-mean-field-embedding-and-its-analytical-gradients-0809.2292"/></url>
<url><loc>https://scifaro.com/en/abs/gas-liquid-nucleation-in-two-dimensional-system-0809.2466</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gas-liquid-nucleation-in-two-dimensional-system-0809.2466"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gas-liquid-nucleation-in-two-dimensional-system-0809.2466"/></url>
<url><loc>https://scifaro.com/en/abs/action-spectroscopy-of-gas-phase-carboxylate-anions-by-multiple-photon-ir-electron-detachment-attachment-0809.2519</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/action-spectroscopy-of-gas-phase-carboxylate-anions-by-multiple-photon-ir-electron-detachment-attachment-0809.2519"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/action-spectroscopy-of-gas-phase-carboxylate-anions-by-multiple-photon-ir-electron-detachment-attachment-0809.2519"/></url>
<url><loc>https://scifaro.com/en/abs/chiral-control-of-electron-transmission-through-molecules-0809.2577</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chiral-control-of-electron-transmission-through-molecules-0809.2577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chiral-control-of-electron-transmission-through-molecules-0809.2577"/></url>
<url><loc>https://scifaro.com/en/abs/electric-dipole-rovibrational-transitions-in-hd-molecule-0809.3736</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electric-dipole-rovibrational-transitions-in-hd-molecule-0809.3736"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electric-dipole-rovibrational-transitions-in-hd-molecule-0809.3736"/></url>
<url><loc>https://scifaro.com/en/abs/remarks-on-the-standard-hylleraas-undheim-and-macdonald-computation-of-excited-states-0809.3826</loc><lastmod>2008-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/remarks-on-the-standard-hylleraas-undheim-and-macdonald-computation-of-excited-states-0809.3826"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/remarks-on-the-standard-hylleraas-undheim-and-macdonald-computation-of-excited-states-0809.3826"/></url>
<url><loc>https://scifaro.com/en/abs/exploration-of-effective-potential-landscapes-using-coarse-reverse-integration-0809.4022</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploration-of-effective-potential-landscapes-using-coarse-reverse-integration-0809.4022"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploration-of-effective-potential-landscapes-using-coarse-reverse-integration-0809.4022"/></url>
<url><loc>https://scifaro.com/en/abs/the-rotating-morse-potential-model-for-diatomic-molecules-in-the-j-matrix-representation-ii-the-s-matrix-approach-0810.1322</loc><lastmod>2008-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-rotating-morse-potential-model-for-diatomic-molecules-in-the-j-matrix-representation-ii-the-s-matrix-approach-0810.1322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-rotating-morse-potential-model-for-diatomic-molecules-in-the-j-matrix-representation-ii-the-s-matrix-approach-0810.1322"/></url>
<url><loc>https://scifaro.com/en/abs/maria-goeppert-mayer-s-theoretical-work-on-rare-earth-and-transuranic-elements-0810.2129</loc><lastmod>2009-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/maria-goeppert-mayer-s-theoretical-work-on-rare-earth-and-transuranic-elements-0810.2129"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/maria-goeppert-mayer-s-theoretical-work-on-rare-earth-and-transuranic-elements-0810.2129"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-alignment-and-orientation-of-quantum-state-selected-large-molecules-0810.2307</loc><lastmod>2009-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-alignment-and-orientation-of-quantum-state-selected-large-molecules-0810.2307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-alignment-and-orientation-of-quantum-state-selected-large-molecules-0810.2307"/></url>
<url><loc>https://scifaro.com/en/abs/hot-electron-mediated-desorption-rates-calculated-from-excited-state-potential-energy-surfaces-0810.2630</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hot-electron-mediated-desorption-rates-calculated-from-excited-state-potential-energy-surfaces-0810.2630"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hot-electron-mediated-desorption-rates-calculated-from-excited-state-potential-energy-surfaces-0810.2630"/></url>
<url><loc>https://scifaro.com/en/abs/a-concise-method-for-kinetic-energy-quantisation-0810.2654</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-concise-method-for-kinetic-energy-quantisation-0810.2654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-concise-method-for-kinetic-energy-quantisation-0810.2654"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-frame-transformation-calculations-of-direct-and-indirect-dissociative-recombination-rates-of-heh-e-0810.3462</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-frame-transformation-calculations-of-direct-and-indirect-dissociative-recombination-rates-of-heh-e-0810.3462"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-frame-transformation-calculations-of-direct-and-indirect-dissociative-recombination-rates-of-heh-e-0810.3462"/></url>
<url><loc>https://scifaro.com/en/abs/guiding-molecules-with-electrostatic-forces-in-surface-enhanced-raman-spectroscopy-sers-0810.5669</loc><lastmod>2008-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/guiding-molecules-with-electrostatic-forces-in-surface-enhanced-raman-spectroscopy-sers-0810.5669"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/guiding-molecules-with-electrostatic-forces-in-surface-enhanced-raman-spectroscopy-sers-0810.5669"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-nature-of-the-bonding-in-metal-silane-sigma-complexes-0811.0451</loc><lastmod>2008-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-nature-of-the-bonding-in-metal-silane-sigma-complexes-0811.0451"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-nature-of-the-bonding-in-metal-silane-sigma-complexes-0811.0451"/></url>
<url><loc>https://scifaro.com/en/abs/from-angle-action-to-cartesian-coordinates-a-key-transformation-for-molecular-dynamics-0811.0546</loc><lastmod>2009-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-angle-action-to-cartesian-coordinates-a-key-transformation-for-molecular-dynamics-0811.0546"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-angle-action-to-cartesian-coordinates-a-key-transformation-for-molecular-dynamics-0811.0546"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-chemical-theory-with-a-soft-cutoff-0811.0583</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-chemical-theory-with-a-soft-cutoff-0811.0583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-chemical-theory-with-a-soft-cutoff-0811.0583"/></url>
<url><loc>https://scifaro.com/en/abs/amido-rhenium-trioxides-cases-of-hindered-agostic-c-h-m-interactions-0811.1854</loc><lastmod>2008-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/amido-rhenium-trioxides-cases-of-hindered-agostic-c-h-m-interactions-0811.1854"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/amido-rhenium-trioxides-cases-of-hindered-agostic-c-h-m-interactions-0811.1854"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-degradation-of-ligno-cellulosic-fuels-dsc-and-tga-studies-0811.2742</loc><lastmod>2008-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-degradation-of-ligno-cellulosic-fuels-dsc-and-tga-studies-0811.2742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-degradation-of-ligno-cellulosic-fuels-dsc-and-tga-studies-0811.2742"/></url>
<url><loc>https://scifaro.com/en/abs/the-strange-history-of-b-functions-or-how-theoretical-chemists-and-mathematicians-do-not-interact-0811.3406</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-strange-history-of-b-functions-or-how-theoretical-chemists-and-mathematicians-do-not-interact-0811.3406"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-strange-history-of-b-functions-or-how-theoretical-chemists-and-mathematicians-do-not-interact-0811.3406"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-corrections-to-rovibrational-levels-of-h-2-0811.4355</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-corrections-to-rovibrational-levels-of-h-2-0811.4355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-corrections-to-rovibrational-levels-of-h-2-0811.4355"/></url>
<url><loc>https://scifaro.com/en/abs/formation-of-molecular-oxygen-in-ultracold-o-oh-reaction-0811.4377</loc><lastmod>2009-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-of-molecular-oxygen-in-ultracold-o-oh-reaction-0811.4377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-of-molecular-oxygen-in-ultracold-o-oh-reaction-0811.4377"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-electron-dynamics-following-outer-valence-ionization-the-impact-of-low-lying-relaxation-satellite-states-0811.4558</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-electron-dynamics-following-outer-valence-ionization-the-impact-of-low-lying-relaxation-satellite-states-0811.4558"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-electron-dynamics-following-outer-valence-ionization-the-impact-of-low-lying-relaxation-satellite-states-0811.4558"/></url>
<url><loc>https://scifaro.com/en/abs/bottlenecks-to-vibrational-energy-flow-in-ocs-structures-and-mechanisms-0811.4563</loc><lastmod>2009-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bottlenecks-to-vibrational-energy-flow-in-ocs-structures-and-mechanisms-0811.4563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bottlenecks-to-vibrational-energy-flow-in-ocs-structures-and-mechanisms-0811.4563"/></url>
<url><loc>https://scifaro.com/en/abs/a-global-algebraic-treatment-for-xy2-molecules-application-to-d2s-0812.1211</loc><lastmod>2008-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-global-algebraic-treatment-for-xy2-molecules-application-to-d2s-0812.1211"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-global-algebraic-treatment-for-xy2-molecules-application-to-d2s-0812.1211"/></url>
<url><loc>https://scifaro.com/en/abs/the-dissociation-catastrophe-in-fluctuating-charge-models-and-its-implications-for-the-concept-of-atomic-electronegativity-0812.1543</loc><lastmod>2010-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-dissociation-catastrophe-in-fluctuating-charge-models-and-its-implications-for-the-concept-of-atomic-electronegativity-0812.1543"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-dissociation-catastrophe-in-fluctuating-charge-models-and-its-implications-for-the-concept-of-atomic-electronegativity-0812.1543"/></url>
<url><loc>https://scifaro.com/en/abs/size-extensive-polarizabilities-with-intermolecular-charge-transfer-in-a-fluctuating-charge-model-0812.1544</loc><lastmod>2008-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-extensive-polarizabilities-with-intermolecular-charge-transfer-in-a-fluctuating-charge-model-0812.1544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-extensive-polarizabilities-with-intermolecular-charge-transfer-in-a-fluctuating-charge-model-0812.1544"/></url>
<url><loc>https://scifaro.com/en/abs/an-experimental-and-kinetic-modelling-study-of-the-oxidation-of-the-four-isomers-of-butanol-0812.1874</loc><lastmod>2008-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-experimental-and-kinetic-modelling-study-of-the-oxidation-of-the-four-isomers-of-butanol-0812.1874"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-experimental-and-kinetic-modelling-study-of-the-oxidation-of-the-four-isomers-of-butanol-0812.1874"/></url>
<url><loc>https://scifaro.com/en/abs/continuous-guided-beams-of-slow-and-internally-cold-polar-molecules-0812.1923</loc><lastmod>2010-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuous-guided-beams-of-slow-and-internally-cold-polar-molecules-0812.1923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuous-guided-beams-of-slow-and-internally-cold-polar-molecules-0812.1923"/></url>
<url><loc>https://scifaro.com/en/abs/off-center-defects-in-crystals-revisited-dynamic-features-0812.2037</loc><lastmod>2008-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/off-center-defects-in-crystals-revisited-dynamic-features-0812.2037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/off-center-defects-in-crystals-revisited-dynamic-features-0812.2037"/></url>
<url><loc>https://scifaro.com/en/abs/strong-fields-induce-ultrafast-rearrangement-of-h-atoms-in-h-2-o-0812.2135</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-fields-induce-ultrafast-rearrangement-of-h-atoms-in-h-2-o-0812.2135"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-fields-induce-ultrafast-rearrangement-of-h-atoms-in-h-2-o-0812.2135"/></url>
<url><loc>https://scifaro.com/en/abs/specific-na-and-k-cation-effects-on-the-interfacial-water-molecules-at-the-air-aqueous-salt-solution-interfaces-probed-with-non-resonant-second-harmonic-generation-shg-0812.2630</loc><lastmod>2016-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/specific-na-and-k-cation-effects-on-the-interfacial-water-molecules-at-the-air-aqueous-salt-solution-interfaces-probed-with-non-resonant-second-harmonic-generation-shg-0812.2630"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/specific-na-and-k-cation-effects-on-the-interfacial-water-molecules-at-the-air-aqueous-salt-solution-interfaces-probed-with-non-resonant-second-harmonic-generation-shg-0812.2630"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-evidence-for-the-specific-na-and-k-interactions-with-the-hydrogen-bonded-water-molecules-at-the-electrolyte-aqueous-solution-surfaces-0812.2632</loc><lastmod>2016-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-evidence-for-the-specific-na-and-k-interactions-with-the-hydrogen-bonded-water-molecules-at-the-electrolyte-aqueous-solution-surfaces-0812.2632"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-evidence-for-the-specific-na-and-k-interactions-with-the-hydrogen-bonded-water-molecules-at-the-electrolyte-aqueous-solution-surfaces-0812.2632"/></url>
<url><loc>https://scifaro.com/en/abs/combined-theory-of-two-and-four-component-complete-orthonormal-sets-of-spinor-wave-functions-and-slater-type-spinor-orbitals-in-position-momentum-and-four-dimensional-spaces-0812.2792</loc><lastmod>2008-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combined-theory-of-two-and-four-component-complete-orthonormal-sets-of-spinor-wave-functions-and-slater-type-spinor-orbitals-in-position-momentum-and-four-dimensional-spaces-0812.2792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combined-theory-of-two-and-four-component-complete-orthonormal-sets-of-spinor-wave-functions-and-slater-type-spinor-orbitals-in-position-momentum-and-four-dimensional-spaces-0812.2792"/></url>
<url><loc>https://scifaro.com/en/abs/collisional-effects-in-the-formation-of-cold-guided-beams-of-polar-molecules-0812.2850</loc><lastmod>2009-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collisional-effects-in-the-formation-of-cold-guided-beams-of-polar-molecules-0812.2850"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collisional-effects-in-the-formation-of-cold-guided-beams-of-polar-molecules-0812.2850"/></url>
<url><loc>https://scifaro.com/en/abs/measurement-of-the-cotton-mouton-effect-in-nitrogen-oxygen-carbon-dioxide-argon-and-krypton-with-the-q-a-apparatus-0812.3328</loc><lastmod>2009-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurement-of-the-cotton-mouton-effect-in-nitrogen-oxygen-carbon-dioxide-argon-and-krypton-with-the-q-a-apparatus-0812.3328"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurement-of-the-cotton-mouton-effect-in-nitrogen-oxygen-carbon-dioxide-argon-and-krypton-with-the-q-a-apparatus-0812.3328"/></url>
<url><loc>https://scifaro.com/en/abs/anharmonic-vibrational-dynamics-of-dna-oligomers-0812.3335</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anharmonic-vibrational-dynamics-of-dna-oligomers-0812.3335"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anharmonic-vibrational-dynamics-of-dna-oligomers-0812.3335"/></url>
<url><loc>https://scifaro.com/en/abs/tightened-lieb-oxford-bound-for-systems-of-fixed-particle-number-0812.3626</loc><lastmod>2009-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tightened-lieb-oxford-bound-for-systems-of-fixed-particle-number-0812.3626"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tightened-lieb-oxford-bound-for-systems-of-fixed-particle-number-0812.3626"/></url>
<url><loc>https://scifaro.com/en/abs/atomization-energies-of-the-carbon-clusters-cn-n-2-10-revisited-by-means-of-w4-theory-as-well-as-density-functional-gn-and-cbs-methods-0812.3852</loc><lastmod>2010-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomization-energies-of-the-carbon-clusters-cn-n-2-10-revisited-by-means-of-w4-theory-as-well-as-density-functional-gn-and-cbs-methods-0812.3852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomization-energies-of-the-carbon-clusters-cn-n-2-10-revisited-by-means-of-w4-theory-as-well-as-density-functional-gn-and-cbs-methods-0812.3852"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-calculations-of-h2-h2-collisions-from-ultracold-to-thermal-energies-0812.3866</loc><lastmod>2009-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-calculations-of-h2-h2-collisions-from-ultracold-to-thermal-energies-0812.3866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-calculations-of-h2-h2-collisions-from-ultracold-to-thermal-energies-0812.3866"/></url>
<url><loc>https://scifaro.com/en/abs/the-very-slow-expansion-of-an-ultracold-plasma-formed-in-a-seeded-supersonic-molecular-beam-of-no-0812.4051</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-very-slow-expansion-of-an-ultracold-plasma-formed-in-a-seeded-supersonic-molecular-beam-of-no-0812.4051"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-very-slow-expansion-of-an-ultracold-plasma-formed-in-a-seeded-supersonic-molecular-beam-of-no-0812.4051"/></url>
<url><loc>https://scifaro.com/en/abs/pipe-effect-in-viscous-liquids-0812.4361</loc><lastmod>2009-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pipe-effect-in-viscous-liquids-0812.4361"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pipe-effect-in-viscous-liquids-0812.4361"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-atomic-fragment-fluorescence-spectroscopy-a-facile-technique-for-molecular-spectroscopy-of-spin-forbidden-states-0812.4554</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-atomic-fragment-fluorescence-spectroscopy-a-facile-technique-for-molecular-spectroscopy-of-spin-forbidden-states-0812.4554"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-atomic-fragment-fluorescence-spectroscopy-a-facile-technique-for-molecular-spectroscopy-of-spin-forbidden-states-0812.4554"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-calculations-of-the-dissociation-energy-equilibrium-distance-and-spectroscopic-constants-for-the-yb-dimer-0901.0077</loc><lastmod>2009-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-calculations-of-the-dissociation-energy-equilibrium-distance-and-spectroscopic-constants-for-the-yb-dimer-0901.0077"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-calculations-of-the-dissociation-energy-equilibrium-distance-and-spectroscopic-constants-for-the-yb-dimer-0901.0077"/></url>
<url><loc>https://scifaro.com/en/abs/concentration-invariance-of-cyclic-species-0901.0152</loc><lastmod>2013-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/concentration-invariance-of-cyclic-species-0901.0152"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/concentration-invariance-of-cyclic-species-0901.0152"/></url>
<url><loc>https://scifaro.com/en/abs/what-is-the-shape-effect-on-the-hyper-polarizabilities-a-comparison-study-on-the-moebius-cyclic-and-linear-nitrogen-substituted-polyacenes-0901.0600</loc><lastmod>2009-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/what-is-the-shape-effect-on-the-hyper-polarizabilities-a-comparison-study-on-the-moebius-cyclic-and-linear-nitrogen-substituted-polyacenes-0901.0600"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/what-is-the-shape-effect-on-the-hyper-polarizabilities-a-comparison-study-on-the-moebius-cyclic-and-linear-nitrogen-substituted-polyacenes-0901.0600"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-kinetic-study-of-thermal-unimolecular-decomposition-of-cyclic-alkyl-radicals-0901.0789</loc><lastmod>2009-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-kinetic-study-of-thermal-unimolecular-decomposition-of-cyclic-alkyl-radicals-0901.0789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-kinetic-study-of-thermal-unimolecular-decomposition-of-cyclic-alkyl-radicals-0901.0789"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-extension-of-density-functional-theory-i-basic-massieu-function-its-legendre-and-massieu-planck-transforms-for-equilibrium-state-in-terms-of-density-matrix-0901.1060</loc><lastmod>2013-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-extension-of-density-functional-theory-i-basic-massieu-function-its-legendre-and-massieu-planck-transforms-for-equilibrium-state-in-terms-of-density-matrix-0901.1060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-extension-of-density-functional-theory-i-basic-massieu-function-its-legendre-and-massieu-planck-transforms-for-equilibrium-state-in-terms-of-density-matrix-0901.1060"/></url>
<url><loc>https://scifaro.com/en/abs/ion-specific-effects-on-phase-transitions-in-protein-solutions-0901.1599</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ion-specific-effects-on-phase-transitions-in-protein-solutions-0901.1599"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ion-specific-effects-on-phase-transitions-in-protein-solutions-0901.1599"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-green-s-functions-calculations-of-atoms-0901.1735</loc><lastmod>2009-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-green-s-functions-calculations-of-atoms-0901.1735"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-green-s-functions-calculations-of-atoms-0901.1735"/></url>
<url><loc>https://scifaro.com/en/abs/prospects-for-sympathetic-cooling-of-polar-molecules-nh-with-alkali-metal-and-alkaline-earth-atoms-a-new-hope-0901.2493</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prospects-for-sympathetic-cooling-of-polar-molecules-nh-with-alkali-metal-and-alkaline-earth-atoms-a-new-hope-0901.2493"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prospects-for-sympathetic-cooling-of-polar-molecules-nh-with-alkali-metal-and-alkaline-earth-atoms-a-new-hope-0901.2493"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-modeling-of-single-molecule-michaelis-menten-kinetics-0901.2844</loc><lastmod>2009-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-modeling-of-single-molecule-michaelis-menten-kinetics-0901.2844"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-modeling-of-single-molecule-michaelis-menten-kinetics-0901.2844"/></url>
<url><loc>https://scifaro.com/en/abs/uv-photodissociation-of-methyl-bromide-and-methyl-bromide-cation-studied-by-velocity-map-imaging-0901.3224</loc><lastmod>2009-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uv-photodissociation-of-methyl-bromide-and-methyl-bromide-cation-studied-by-velocity-map-imaging-0901.3224"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uv-photodissociation-of-methyl-bromide-and-methyl-bromide-cation-studied-by-velocity-map-imaging-0901.3224"/></url>
<url><loc>https://scifaro.com/en/abs/relationship-between-diffusion-selfdiffusion-and-viscosity-0901.3460</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relationship-between-diffusion-selfdiffusion-and-viscosity-0901.3460"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relationship-between-diffusion-selfdiffusion-and-viscosity-0901.3460"/></url>
<url><loc>https://scifaro.com/en/abs/the-minimal-temperature-of-quantum-refrigerators-0902.0326</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-minimal-temperature-of-quantum-refrigerators-0902.0326"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-minimal-temperature-of-quantum-refrigerators-0902.0326"/></url>
<url><loc>https://scifaro.com/en/abs/uncovering-a-solvent-controlled-preferential-growth-of-buckminsterfullerene-c60-nanowires-0902.0340</loc><lastmod>2009-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncovering-a-solvent-controlled-preferential-growth-of-buckminsterfullerene-c60-nanowires-0902.0340"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncovering-a-solvent-controlled-preferential-growth-of-buckminsterfullerene-c60-nanowires-0902.0340"/></url>
<url><loc>https://scifaro.com/en/abs/homogeneous-gold-catalysis-through-relativistic-effects-addition-of-water-to-propyne-0902.0426</loc><lastmod>2010-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/homogeneous-gold-catalysis-through-relativistic-effects-addition-of-water-to-propyne-0902.0426"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/homogeneous-gold-catalysis-through-relativistic-effects-addition-of-water-to-propyne-0902.0426"/></url>
<url><loc>https://scifaro.com/en/abs/expansion-formulae-for-one-and-two-center-charge-densities-over-complete-orthonormal-sets-of-exponential-type-orbitals-and-their-use-in-evaluation-of-multicenter-multielectron-integrals-0902.0509</loc><lastmod>2009-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/expansion-formulae-for-one-and-two-center-charge-densities-over-complete-orthonormal-sets-of-exponential-type-orbitals-and-their-use-in-evaluation-of-multicenter-multielectron-integrals-0902.0509"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/expansion-formulae-for-one-and-two-center-charge-densities-over-complete-orthonormal-sets-of-exponential-type-orbitals-and-their-use-in-evaluation-of-multicenter-multielectron-integrals-0902.0509"/></url>
<url><loc>https://scifaro.com/en/abs/potential-energy-surface-of-the-2a-li2-li-doublet-ground-state-0902.0533</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/potential-energy-surface-of-the-2a-li2-li-doublet-ground-state-0902.0533"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/potential-energy-surface-of-the-2a-li2-li-doublet-ground-state-0902.0533"/></url>
<url><loc>https://scifaro.com/en/abs/mutual-neutralization-in-low-energy-h-h-collisions-0902.1900</loc><lastmod>2009-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mutual-neutralization-in-low-energy-h-h-collisions-0902.1900"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mutual-neutralization-in-low-energy-h-h-collisions-0902.1900"/></url>
<url><loc>https://scifaro.com/en/abs/potential-driven-adiabatic-connection-in-density-functional-theory-0902.2543</loc><lastmod>2009-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/potential-driven-adiabatic-connection-in-density-functional-theory-0902.2543"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/potential-driven-adiabatic-connection-in-density-functional-theory-0902.2543"/></url>
<url><loc>https://scifaro.com/en/abs/a-one-dimensional-dipole-lattice-model-for-water-in-narrow-nanopores-0902.3112</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-one-dimensional-dipole-lattice-model-for-water-in-narrow-nanopores-0902.3112"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-one-dimensional-dipole-lattice-model-for-water-in-narrow-nanopores-0902.3112"/></url>
<url><loc>https://scifaro.com/en/abs/classes-of-admissible-exchange-correlation-density-functionals-for-pure-spin-and-angular-momentum-states-0902.3559</loc><lastmod>2019-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classes-of-admissible-exchange-correlation-density-functionals-for-pure-spin-and-angular-momentum-states-0902.3559"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classes-of-admissible-exchange-correlation-density-functionals-for-pure-spin-and-angular-momentum-states-0902.3559"/></url>
<url><loc>https://scifaro.com/en/abs/anomalous-ph-gradient-in-ampholyte-solution-0902.3758</loc><lastmod>2009-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anomalous-ph-gradient-in-ampholyte-solution-0902.3758"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anomalous-ph-gradient-in-ampholyte-solution-0902.3758"/></url>
<url><loc>https://scifaro.com/en/abs/a-diabatic-three-state-representation-of-photoisomerization-in-the-green-fluorescent-protein-chromophore-0902.3775</loc><lastmod>2009-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-diabatic-three-state-representation-of-photoisomerization-in-the-green-fluorescent-protein-chromophore-0902.3775"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-diabatic-three-state-representation-of-photoisomerization-in-the-green-fluorescent-protein-chromophore-0902.3775"/></url>
<url><loc>https://scifaro.com/en/abs/low-energy-collisions-of-nh3-and-nd3-with-ultracold-rb-atoms-0902.4548</loc><lastmod>2013-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-energy-collisions-of-nh3-and-nd3-with-ultracold-rb-atoms-0902.4548"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-energy-collisions-of-nh3-and-nd3-with-ultracold-rb-atoms-0902.4548"/></url>
<url><loc>https://scifaro.com/en/abs/algebraic-matrix-calculation-of-vibrational-levels-of-triatomic-molecules-0903.0971</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/algebraic-matrix-calculation-of-vibrational-levels-of-triatomic-molecules-0903.0971"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/algebraic-matrix-calculation-of-vibrational-levels-of-triatomic-molecules-0903.0971"/></url>
<url><loc>https://scifaro.com/en/abs/a-note-on-the-role-of-charge-conservation-in-electronegativity-equalization-and-its-implications-for-the-translational-symmetries-of-electrostatic-properties-in-fluctuating-charge-models-0903.1294</loc><lastmod>2010-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-note-on-the-role-of-charge-conservation-in-electronegativity-equalization-and-its-implications-for-the-translational-symmetries-of-electrostatic-properties-in-fluctuating-charge-models-0903.1294"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-note-on-the-role-of-charge-conservation-in-electronegativity-equalization-and-its-implications-for-the-translational-symmetries-of-electrostatic-properties-in-fluctuating-charge-models-0903.1294"/></url>
<url><loc>https://scifaro.com/en/abs/scaling-in-polymers-i-the-ortho-fused-spiral-benzenes-0903.2230</loc><lastmod>2009-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scaling-in-polymers-i-the-ortho-fused-spiral-benzenes-0903.2230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scaling-in-polymers-i-the-ortho-fused-spiral-benzenes-0903.2230"/></url>
<url><loc>https://scifaro.com/en/abs/width-of-reaction-zones-in-a-b-c-type-reaction-diffusion-processes-effects-of-an-electric-current-0903.2706</loc><lastmod>2009-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/width-of-reaction-zones-in-a-b-c-type-reaction-diffusion-processes-effects-of-an-electric-current-0903.2706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/width-of-reaction-zones-in-a-b-c-type-reaction-diffusion-processes-effects-of-an-electric-current-0903.2706"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-thermodynamical-analogy-in-spin-polarized-density-functional-theory-0903.2719</loc><lastmod>2009-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-thermodynamical-analogy-in-spin-polarized-density-functional-theory-0903.2719"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-thermodynamical-analogy-in-spin-polarized-density-functional-theory-0903.2719"/></url>
<url><loc>https://scifaro.com/en/abs/two-dimensional-electrochemical-model-for-mixed-conductors-a-study-of-ceria-0903.3250</loc><lastmod>2009-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-electrochemical-model-for-mixed-conductors-a-study-of-ceria-0903.3250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-electrochemical-model-for-mixed-conductors-a-study-of-ceria-0903.3250"/></url>
<url><loc>https://scifaro.com/en/abs/preferred-orientation-of-n-hexane-crystallized-in-silicon-nanochannels-a-combined-x-ray-diffraction-and-sorption-isotherm-study-0903.3379</loc><lastmod>2009-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/preferred-orientation-of-n-hexane-crystallized-in-silicon-nanochannels-a-combined-x-ray-diffraction-and-sorption-isotherm-study-0903.3379"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/preferred-orientation-of-n-hexane-crystallized-in-silicon-nanochannels-a-combined-x-ray-diffraction-and-sorption-isotherm-study-0903.3379"/></url>
<url><loc>https://scifaro.com/en/abs/photolysis-of-n-butyl-nitrite-and-isoamyl-nitrite-at-355-nm-a-time-resolved-fourier-transform-infrared-emission-spectroscopy-and-ab-initio-study-0903.3497</loc><lastmod>2009-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photolysis-of-n-butyl-nitrite-and-isoamyl-nitrite-at-355-nm-a-time-resolved-fourier-transform-infrared-emission-spectroscopy-and-ab-initio-study-0903.3497"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photolysis-of-n-butyl-nitrite-and-isoamyl-nitrite-at-355-nm-a-time-resolved-fourier-transform-infrared-emission-spectroscopy-and-ab-initio-study-0903.3497"/></url>
<url><loc>https://scifaro.com/en/abs/qm-mm-simulation-of-the-hydrogen-bond-dynamics-of-an-adenine-uracil-base-pair-in-solution-geometric-correlations-and-infrared-spectrum-0903.3502</loc><lastmod>2009-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qm-mm-simulation-of-the-hydrogen-bond-dynamics-of-an-adenine-uracil-base-pair-in-solution-geometric-correlations-and-infrared-spectrum-0903.3502"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qm-mm-simulation-of-the-hydrogen-bond-dynamics-of-an-adenine-uracil-base-pair-in-solution-geometric-correlations-and-infrared-spectrum-0903.3502"/></url>
<url><loc>https://scifaro.com/en/abs/impedance-spectra-of-mixed-conductors-a-2d-study-of-ceria-0903.3631</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impedance-spectra-of-mixed-conductors-a-2d-study-of-ceria-0903.3631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impedance-spectra-of-mixed-conductors-a-2d-study-of-ceria-0903.3631"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-egr-compounds-on-the-oxidation-of-an-hcci-diesel-surrogate-0903.3707</loc><lastmod>2009-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-egr-compounds-on-the-oxidation-of-an-hcci-diesel-surrogate-0903.3707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-egr-compounds-on-the-oxidation-of-an-hcci-diesel-surrogate-0903.3707"/></url>
<url><loc>https://scifaro.com/en/abs/an-experimental-and-kinetic-modeling-study-of-the-oxidation-of-the-four-isomers-of-butanol-0903.3708</loc><lastmod>2009-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-experimental-and-kinetic-modeling-study-of-the-oxidation-of-the-four-isomers-of-butanol-0903.3708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-experimental-and-kinetic-modeling-study-of-the-oxidation-of-the-four-isomers-of-butanol-0903.3708"/></url>
<url><loc>https://scifaro.com/en/abs/a-tentative-modeling-study-of-the-effect-of-wall-reactions-on-oxidation-phenomena-0903.3750</loc><lastmod>2009-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-tentative-modeling-study-of-the-effect-of-wall-reactions-on-oxidation-phenomena-0903.3750"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-tentative-modeling-study-of-the-effect-of-wall-reactions-on-oxidation-phenomena-0903.3750"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-the-position-of-the-double-bond-on-the-autoignition-of-linear-alkenes-at-low-temperature-0903.3752</loc><lastmod>2009-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-the-position-of-the-double-bond-on-the-autoignition-of-linear-alkenes-at-low-temperature-0903.3752"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-the-position-of-the-double-bond-on-the-autoignition-of-linear-alkenes-at-low-temperature-0903.3752"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-of-autoignition-and-no-sensitization-for-the-oxidation-of-ic-engine-surrogate-fuels-0903.3809</loc><lastmod>2009-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-of-autoignition-and-no-sensitization-for-the-oxidation-of-ic-engine-surrogate-fuels-0903.3809"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-of-autoignition-and-no-sensitization-for-the-oxidation-of-ic-engine-surrogate-fuels-0903.3809"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-the-quenching-of-nh-singlet-delta-molecules-via-collisions-with-rb-atoms-preliminary-results-0903.3909</loc><lastmod>2013-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-the-quenching-of-nh-singlet-delta-molecules-via-collisions-with-rb-atoms-preliminary-results-0903.3909"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-the-quenching-of-nh-singlet-delta-molecules-via-collisions-with-rb-atoms-preliminary-results-0903.3909"/></url>
<url><loc>https://scifaro.com/en/abs/eyring-equation-ans-the-second-order-kinetic-law-0903.4316</loc><lastmod>2009-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eyring-equation-ans-the-second-order-kinetic-law-0903.4316"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eyring-equation-ans-the-second-order-kinetic-law-0903.4316"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-of-no-sensitization-of-ic-engines-surrogate-fuels-auto-ignition-and-combustion-0903.4353</loc><lastmod>2009-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-of-no-sensitization-of-ic-engines-surrogate-fuels-auto-ignition-and-combustion-0903.4353"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-of-no-sensitization-of-ic-engines-surrogate-fuels-auto-ignition-and-combustion-0903.4353"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-study-of-the-structure-of-a-lean-premixed-indane-ch4-o2-ar-flame-0903.4429</loc><lastmod>2009-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-study-of-the-structure-of-a-lean-premixed-indane-ch4-o2-ar-flame-0903.4429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-study-of-the-structure-of-a-lean-premixed-indane-ch4-o2-ar-flame-0903.4429"/></url>
<url><loc>https://scifaro.com/en/abs/a-complex-chemical-kinetic-mechanism-for-the-oxidation-of-gasoline-surrogate-fuels-n-heptane-iso-octane-and-toluene-mechanism-development-and-validation-0903.4431</loc><lastmod>2009-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-complex-chemical-kinetic-mechanism-for-the-oxidation-of-gasoline-surrogate-fuels-n-heptane-iso-octane-and-toluene-mechanism-development-and-validation-0903.4431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-complex-chemical-kinetic-mechanism-for-the-oxidation-of-gasoline-surrogate-fuels-n-heptane-iso-octane-and-toluene-mechanism-development-and-validation-0903.4431"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-the-system-of-distinguishable-particles-0903.4748</loc><lastmod>2009-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-the-system-of-distinguishable-particles-0903.4748"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-the-system-of-distinguishable-particles-0903.4748"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-of-the-formation-of-short-chain-acids-in-propane-flames-0903.4946</loc><lastmod>2009-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-of-the-formation-of-short-chain-acids-in-propane-flames-0903.4946"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-of-the-formation-of-short-chain-acids-in-propane-flames-0903.4946"/></url>
<url><loc>https://scifaro.com/en/abs/formation-of-aromatics-in-rich-methane-flames-doped-by-unsaturated-compounds-0903.4947</loc><lastmod>2009-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-of-aromatics-in-rich-methane-flames-doped-by-unsaturated-compounds-0903.4947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-of-aromatics-in-rich-methane-flames-doped-by-unsaturated-compounds-0903.4947"/></url>
<url><loc>https://scifaro.com/en/abs/a-lean-methane-prelixed-laminar-flame-doped-witg-components-of-diesel-fuel-part-i-n-butylbenzene-0903.4948</loc><lastmod>2009-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-lean-methane-prelixed-laminar-flame-doped-witg-components-of-diesel-fuel-part-i-n-butylbenzene-0903.4948"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-lean-methane-prelixed-laminar-flame-doped-witg-components-of-diesel-fuel-part-i-n-butylbenzene-0903.4948"/></url>
<url><loc>https://scifaro.com/en/abs/early-maturation-processes-in-coal-part-1-pyrolysis-mass-balances-and-structural-evolution-of-coalified-wood-from-the-morwell-brown-coal-seam-0903.4986</loc><lastmod>2009-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/early-maturation-processes-in-coal-part-1-pyrolysis-mass-balances-and-structural-evolution-of-coalified-wood-from-the-morwell-brown-coal-seam-0903.4986"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/early-maturation-processes-in-coal-part-1-pyrolysis-mass-balances-and-structural-evolution-of-coalified-wood-from-the-morwell-brown-coal-seam-0903.4986"/></url>
<url><loc>https://scifaro.com/en/abs/asymptotology-of-chemical-reaction-networks-0903.5072</loc><lastmod>2010-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymptotology-of-chemical-reaction-networks-0903.5072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymptotology-of-chemical-reaction-networks-0903.5072"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-non-condon-effects-in-resonant-tunneling-0903.5268</loc><lastmod>2009-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-non-condon-effects-in-resonant-tunneling-0903.5268"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-non-condon-effects-in-resonant-tunneling-0903.5268"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-state-selection-alignment-and-orientation-of-large-molecules-using-static-electric-and-laser-fields-0903.5413</loc><lastmod>2009-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-state-selection-alignment-and-orientation-of-large-molecules-using-static-electric-and-laser-fields-0903.5413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-state-selection-alignment-and-orientation-of-large-molecules-using-static-electric-and-laser-fields-0903.5413"/></url>
<url><loc>https://scifaro.com/en/abs/combining-electric-and-magnetic-static-field-for-the-tuning-of-the-lifetime-of-zero-energy-feshbach-resonances-application-to-3he-nh-collisions-0904.0108</loc><lastmod>2009-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-electric-and-magnetic-static-field-for-the-tuning-of-the-lifetime-of-zero-energy-feshbach-resonances-application-to-3he-nh-collisions-0904.0108"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-electric-and-magnetic-static-field-for-the-tuning-of-the-lifetime-of-zero-energy-feshbach-resonances-application-to-3he-nh-collisions-0904.0108"/></url>
<url><loc>https://scifaro.com/en/abs/a-pump-probe-study-of-the-formation-of-rubidium-molecules-by-ultrafast-photoassociation-of-ultracold-atoms-0904.0244</loc><lastmod>2009-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-pump-probe-study-of-the-formation-of-rubidium-molecules-by-ultrafast-photoassociation-of-ultracold-atoms-0904.0244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-pump-probe-study-of-the-formation-of-rubidium-molecules-by-ultrafast-photoassociation-of-ultracold-atoms-0904.0244"/></url>
<url><loc>https://scifaro.com/en/abs/caract-erisation-de-r-eacteurs-photocatalytiques-utilis-es-pour-le-traitement-de-l-air-0904.0576</loc><lastmod>2009-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/caract-erisation-de-r-eacteurs-photocatalytiques-utilis-es-pour-le-traitement-de-l-air-0904.0576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/caract-erisation-de-r-eacteurs-photocatalytiques-utilis-es-pour-le-traitement-de-l-air-0904.0576"/></url>
<url><loc>https://scifaro.com/en/abs/tylosin-abatement-in-water-by-photocatalytic-process-0904.0577</loc><lastmod>2009-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tylosin-abatement-in-water-by-photocatalytic-process-0904.0577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tylosin-abatement-in-water-by-photocatalytic-process-0904.0577"/></url>
<url><loc>https://scifaro.com/en/abs/glasslike-behavior-in-aqueous-electrolyte-solutions-0904.0717</loc><lastmod>2009-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/glasslike-behavior-in-aqueous-electrolyte-solutions-0904.0717"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/glasslike-behavior-in-aqueous-electrolyte-solutions-0904.0717"/></url>
<url><loc>https://scifaro.com/en/abs/structural-relaxation-in-the-hydrogen-bonding-liquids-n-methylacetamide-and-water-studied-by-optical-kerr-effect-spectroscopy-0904.0728</loc><lastmod>2009-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-relaxation-in-the-hydrogen-bonding-liquids-n-methylacetamide-and-water-studied-by-optical-kerr-effect-spectroscopy-0904.0728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-relaxation-in-the-hydrogen-bonding-liquids-n-methylacetamide-and-water-studied-by-optical-kerr-effect-spectroscopy-0904.0728"/></url>
<url><loc>https://scifaro.com/en/abs/homogeneous-nucleation-in-supersaturated-vapors-of-methane-ethane-and-carbon-dioxide-predicted-by-brute-force-molecular-dynamics-0904.0836</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/homogeneous-nucleation-in-supersaturated-vapors-of-methane-ethane-and-carbon-dioxide-predicted-by-brute-force-molecular-dynamics-0904.0836"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/homogeneous-nucleation-in-supersaturated-vapors-of-methane-ethane-and-carbon-dioxide-predicted-by-brute-force-molecular-dynamics-0904.0836"/></url>
<url><loc>https://scifaro.com/en/abs/counterions-release-from-electrostatic-complexes-of-polyelectrolytes-and-proteins-of-opposite-charge-a-direct-measurement-0904.0858</loc><lastmod>2009-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/counterions-release-from-electrostatic-complexes-of-polyelectrolytes-and-proteins-of-opposite-charge-a-direct-measurement-0904.0858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/counterions-release-from-electrostatic-complexes-of-polyelectrolytes-and-proteins-of-opposite-charge-a-direct-measurement-0904.0858"/></url>
<url><loc>https://scifaro.com/en/abs/modification-of-the-classical-nucleation-theory-based-on-molecular-simulation-data-for-surface-tension-critical-nucleus-size-and-nucleation-rate-0904.0875</loc><lastmod>2009-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modification-of-the-classical-nucleation-theory-based-on-molecular-simulation-data-for-surface-tension-critical-nucleus-size-and-nucleation-rate-0904.0875"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modification-of-the-classical-nucleation-theory-based-on-molecular-simulation-data-for-surface-tension-critical-nucleus-size-and-nucleation-rate-0904.0875"/></url>
<url><loc>https://scifaro.com/en/abs/henry-s-law-and-gas-phase-disappearance-0904.1195</loc><lastmod>2014-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/henry-s-law-and-gas-phase-disappearance-0904.1195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/henry-s-law-and-gas-phase-disappearance-0904.1195"/></url>
<url><loc>https://scifaro.com/en/abs/r-eduction-de-la-nuisance-olfactive-par-oxydation-photocatalytique-0904.1196</loc><lastmod>2009-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/r-eduction-de-la-nuisance-olfactive-par-oxydation-photocatalytique-0904.1196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/r-eduction-de-la-nuisance-olfactive-par-oxydation-photocatalytique-0904.1196"/></url>
<url><loc>https://scifaro.com/en/abs/intrinsic-relationships-between-broken-symmetry-energies-0904.1470</loc><lastmod>2009-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrinsic-relationships-between-broken-symmetry-energies-0904.1470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrinsic-relationships-between-broken-symmetry-energies-0904.1470"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-calculation-of-puckering-free-energy-surfaces-0904.1473</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-calculation-of-puckering-free-energy-surfaces-0904.1473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-calculation-of-puckering-free-energy-surfaces-0904.1473"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-limit-of-a-nonequilibrium-steady-state-maxwell-type-construction-for-a-bistable-biochemical-system-0904.2056</loc><lastmod>2010-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-limit-of-a-nonequilibrium-steady-state-maxwell-type-construction-for-a-bistable-biochemical-system-0904.2056"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-limit-of-a-nonequilibrium-steady-state-maxwell-type-construction-for-a-bistable-biochemical-system-0904.2056"/></url>
<url><loc>https://scifaro.com/en/abs/sensitivity-amplification-in-the-phosphorylation-dephosphorylation-cycle-nonequilibrium-steady-states-chemical-master-equation-and-temporal-cooperativity-0904.2250</loc><lastmod>2009-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sensitivity-amplification-in-the-phosphorylation-dephosphorylation-cycle-nonequilibrium-steady-states-chemical-master-equation-and-temporal-cooperativity-0904.2250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sensitivity-amplification-in-the-phosphorylation-dephosphorylation-cycle-nonequilibrium-steady-states-chemical-master-equation-and-temporal-cooperativity-0904.2250"/></url>
<url><loc>https://scifaro.com/en/abs/novel-magnetic-properties-of-graphene-presence-of-both-ferromagnetic-and-antiferromagnetic-features-and-other-aspects-0904.2739</loc><lastmod>2009-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/novel-magnetic-properties-of-graphene-presence-of-both-ferromagnetic-and-antiferromagnetic-features-and-other-aspects-0904.2739"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/novel-magnetic-properties-of-graphene-presence-of-both-ferromagnetic-and-antiferromagnetic-features-and-other-aspects-0904.2739"/></url>
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<url><loc>https://scifaro.com/en/abs/detailed-kinetic-models-for-the-low-temperature-auto-ignition-of-gasoline-surrogates-0904.2967</loc><lastmod>2009-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detailed-kinetic-models-for-the-low-temperature-auto-ignition-of-gasoline-surrogates-0904.2967"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detailed-kinetic-models-for-the-low-temperature-auto-ignition-of-gasoline-surrogates-0904.2967"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-kinetic-study-of-the-low-temperature-oxidation-of-ethanol-0904.2974</loc><lastmod>2009-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-kinetic-study-of-the-low-temperature-oxidation-of-ethanol-0904.2974"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-kinetic-study-of-the-low-temperature-oxidation-of-ethanol-0904.2974"/></url>
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<url><loc>https://scifaro.com/en/abs/quantum-hydrodynamics-with-trajectories-the-nonlinear-conservation-form-mixed-discontinuous-galerkin-method-with-applications-in-chemistry-0904.3380</loc><lastmod>2010-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-hydrodynamics-with-trajectories-the-nonlinear-conservation-form-mixed-discontinuous-galerkin-method-with-applications-in-chemistry-0904.3380"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-hydrodynamics-with-trajectories-the-nonlinear-conservation-form-mixed-discontinuous-galerkin-method-with-applications-in-chemistry-0904.3380"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-study-of-the-low-temperature-oxidation-of-large-methyl-esters-0904.3536</loc><lastmod>2009-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-study-of-the-low-temperature-oxidation-of-large-methyl-esters-0904.3536"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-study-of-the-low-temperature-oxidation-of-large-methyl-esters-0904.3536"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-the-thermal-decomposition-of-a-jet-fuel-surrogate-0904.3538</loc><lastmod>2009-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-the-thermal-decomposition-of-a-jet-fuel-surrogate-0904.3538"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-the-thermal-decomposition-of-a-jet-fuel-surrogate-0904.3538"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-autoignition-of-c4-c6-saturated-and-unsaturated-methyl-and-ethyl-esters-0904.3539</loc><lastmod>2009-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-autoignition-of-c4-c6-saturated-and-unsaturated-methyl-and-ethyl-esters-0904.3539"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-autoignition-of-c4-c6-saturated-and-unsaturated-methyl-and-ethyl-esters-0904.3539"/></url>
<url><loc>https://scifaro.com/en/abs/joule-thomson-inversion-curves-of-mixtures-by-molecular-simulation-in-comparison-to-advanced-equations-of-state-natural-gas-as-an-example-0904.3663</loc><lastmod>2009-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/joule-thomson-inversion-curves-of-mixtures-by-molecular-simulation-in-comparison-to-advanced-equations-of-state-natural-gas-as-an-example-0904.3663"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/joule-thomson-inversion-curves-of-mixtures-by-molecular-simulation-in-comparison-to-advanced-equations-of-state-natural-gas-as-an-example-0904.3663"/></url>
<url><loc>https://scifaro.com/en/abs/comprehensive-study-of-the-vapour-liquid-equilibria-of-the-pure-two-centre-lennard-jones-plus-pointquadrupole-fluid-0904.3679</loc><lastmod>2009-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comprehensive-study-of-the-vapour-liquid-equilibria-of-the-pure-two-centre-lennard-jones-plus-pointquadrupole-fluid-0904.3679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comprehensive-study-of-the-vapour-liquid-equilibria-of-the-pure-two-centre-lennard-jones-plus-pointquadrupole-fluid-0904.3679"/></url>
<url><loc>https://scifaro.com/en/abs/lower-bound-for-lmc-complexity-measure-0904.3781</loc><lastmod>2009-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lower-bound-for-lmc-complexity-measure-0904.3781"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lower-bound-for-lmc-complexity-measure-0904.3781"/></url>
<url><loc>https://scifaro.com/en/abs/absorption-and-fluorescence-properties-of-oligothiophene-biomarkers-from-long-range-corrected-time-dependent-density-functional-theory-0904.3918</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absorption-and-fluorescence-properties-of-oligothiophene-biomarkers-from-long-range-corrected-time-dependent-density-functional-theory-0904.3918"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absorption-and-fluorescence-properties-of-oligothiophene-biomarkers-from-long-range-corrected-time-dependent-density-functional-theory-0904.3918"/></url>
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<url><loc>https://scifaro.com/en/abs/theoretical-kinetic-study-of-the-ring-opening-of-cyclic-alkanes-0904.4135</loc><lastmod>2009-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-kinetic-study-of-the-ring-opening-of-cyclic-alkanes-0904.4135"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-kinetic-study-of-the-ring-opening-of-cyclic-alkanes-0904.4135"/></url>
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<url><loc>https://scifaro.com/en/abs/attosecond-control-of-electron-dynamics-in-carbon-monoxide-0906.1175</loc><lastmod>2009-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attosecond-control-of-electron-dynamics-in-carbon-monoxide-0906.1175"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attosecond-control-of-electron-dynamics-in-carbon-monoxide-0906.1175"/></url>
<url><loc>https://scifaro.com/en/abs/control-and-imaging-of-single-molecule-spectral-dynamics-using-a-nano-electrode-0906.1624</loc><lastmod>2010-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/control-and-imaging-of-single-molecule-spectral-dynamics-using-a-nano-electrode-0906.1624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/control-and-imaging-of-single-molecule-spectral-dynamics-using-a-nano-electrode-0906.1624"/></url>
<url><loc>https://scifaro.com/en/abs/an-introduction-to-effective-low-energy-hamiltonians-in-condensed-matter-physics-and-chemistry-0906.1640</loc><lastmod>2016-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-introduction-to-effective-low-energy-hamiltonians-in-condensed-matter-physics-and-chemistry-0906.1640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-introduction-to-effective-low-energy-hamiltonians-in-condensed-matter-physics-and-chemistry-0906.1640"/></url>
<url><loc>https://scifaro.com/en/abs/a-molecular-simulation-study-of-shear-and-bulk-viscosity-and-thermal-conductivity-of-simple-real-fluids-0906.1709</loc><lastmod>2009-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-molecular-simulation-study-of-shear-and-bulk-viscosity-and-thermal-conductivity-of-simple-real-fluids-0906.1709"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-molecular-simulation-study-of-shear-and-bulk-viscosity-and-thermal-conductivity-of-simple-real-fluids-0906.1709"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-transport-properties-by-molecular-simulation-methanol-and-ethanol-and-their-mixture-0906.1717</loc><lastmod>2009-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-transport-properties-by-molecular-simulation-methanol-and-ethanol-and-their-mixture-0906.1717"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-transport-properties-by-molecular-simulation-methanol-and-ethanol-and-their-mixture-0906.1717"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-of-a-fullerene-based-one-dimensional-nanopolymer-through-topochemical-transformation-of-the-parent-nanowire-0906.2216</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-of-a-fullerene-based-one-dimensional-nanopolymer-through-topochemical-transformation-of-the-parent-nanowire-0906.2216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-of-a-fullerene-based-one-dimensional-nanopolymer-through-topochemical-transformation-of-the-parent-nanowire-0906.2216"/></url>
<url><loc>https://scifaro.com/en/abs/transport-properties-of-anisotropic-polar-fluids-1-quadrupolar-interaction-0906.3158</loc><lastmod>2009-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transport-properties-of-anisotropic-polar-fluids-1-quadrupolar-interaction-0906.3158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transport-properties-of-anisotropic-polar-fluids-1-quadrupolar-interaction-0906.3158"/></url>
<url><loc>https://scifaro.com/en/abs/transport-properties-of-anisotropic-polar-fluids-2-dipolar-interaction-0906.3160</loc><lastmod>2009-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transport-properties-of-anisotropic-polar-fluids-2-dipolar-interaction-0906.3160"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transport-properties-of-anisotropic-polar-fluids-2-dipolar-interaction-0906.3160"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-ternary-vapor-liquid-equilibria-for-33-systems-by-molecular-simulation-0906.3170</loc><lastmod>2009-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-ternary-vapor-liquid-equilibria-for-33-systems-by-molecular-simulation-0906.3170"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-ternary-vapor-liquid-equilibria-for-33-systems-by-molecular-simulation-0906.3170"/></url>
<url><loc>https://scifaro.com/en/abs/pressure-effect-on-the-melting-temperature-0906.3331</loc><lastmod>2009-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pressure-effect-on-the-melting-temperature-0906.3331"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pressure-effect-on-the-melting-temperature-0906.3331"/></url>
<url><loc>https://scifaro.com/en/abs/conical-intersections-and-charge-localization-in-a-minimal-model-of-a-monomethine-dye-system-degenerate-case-0906.3914</loc><lastmod>2009-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conical-intersections-and-charge-localization-in-a-minimal-model-of-a-monomethine-dye-system-degenerate-case-0906.3914"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conical-intersections-and-charge-localization-in-a-minimal-model-of-a-monomethine-dye-system-degenerate-case-0906.3914"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-the-interaction-of-some-astrobiological-molecules-with-the-surface-of-a-graphite-0001-substrate-application-to-the-co-hcn-h2o-and-h2co-molecules-0906.4020</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-the-interaction-of-some-astrobiological-molecules-with-the-surface-of-a-graphite-0001-substrate-application-to-the-co-hcn-h2o-and-h2co-molecules-0906.4020"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-the-interaction-of-some-astrobiological-molecules-with-the-surface-of-a-graphite-0001-substrate-application-to-the-co-hcn-h2o-and-h2co-molecules-0906.4020"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-response-in-rare-gas-matrices-doped-with-no-impurities-a-stochastic-approach-0906.4637</loc><lastmod>2009-12-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-response-in-rare-gas-matrices-doped-with-no-impurities-a-stochastic-approach-0906.4637"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-response-in-rare-gas-matrices-doped-with-no-impurities-a-stochastic-approach-0906.4637"/></url>
<url><loc>https://scifaro.com/en/abs/rate-of-homogeneous-crystal-nucleation-in-molten-nacl-0906.5274</loc><lastmod>2009-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rate-of-homogeneous-crystal-nucleation-in-molten-nacl-0906.5274"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rate-of-homogeneous-crystal-nucleation-in-molten-nacl-0906.5274"/></url>
<url><loc>https://scifaro.com/en/abs/production-of-ultracold-nh-molecules-by-sympathetic-cooling-with-mg-0906.5314</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/production-of-ultracold-nh-molecules-by-sympathetic-cooling-with-mg-0906.5314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/production-of-ultracold-nh-molecules-by-sympathetic-cooling-with-mg-0906.5314"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-simulation-study-of-photoisomerization-of-azobenzene-detailed-mechanism-and-load-resisting-capacity-0907.1729</loc><lastmod>2015-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-simulation-study-of-photoisomerization-of-azobenzene-detailed-mechanism-and-load-resisting-capacity-0907.1729"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-simulation-study-of-photoisomerization-of-azobenzene-detailed-mechanism-and-load-resisting-capacity-0907.1729"/></url>
<url><loc>https://scifaro.com/en/abs/osmosis-at-constant-volume-and-water-uptake-in-tall-trees-0907.2874</loc><lastmod>2011-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/osmosis-at-constant-volume-and-water-uptake-in-tall-trees-0907.2874"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/osmosis-at-constant-volume-and-water-uptake-in-tall-trees-0907.2874"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-ab-initio-and-density-functional-methods-for-conformational-equilibria-of-cnh2n-2-alkane-isomers-n-2-8-0907.3110</loc><lastmod>2010-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-ab-initio-and-density-functional-methods-for-conformational-equilibria-of-cnh2n-2-alkane-isomers-n-2-8-0907.3110"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-ab-initio-and-density-functional-methods-for-conformational-equilibria-of-cnh2n-2-alkane-isomers-n-2-8-0907.3110"/></url>
<url><loc>https://scifaro.com/en/abs/field-free-orientation-of-co-molecules-by-femtosecond-two-color-laser-fields-0907.3250</loc><lastmod>2009-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/field-free-orientation-of-co-molecules-by-femtosecond-two-color-laser-fields-0907.3250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/field-free-orientation-of-co-molecules-by-femtosecond-two-color-laser-fields-0907.3250"/></url>
<url><loc>https://scifaro.com/en/abs/cation-composition-effects-on-oxide-conductivity-in-the-zr-2y-2o-7-y-3nbo-7-system-0907.4235</loc><lastmod>2009-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cation-composition-effects-on-oxide-conductivity-in-the-zr-2y-2o-7-y-3nbo-7-system-0907.4235"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cation-composition-effects-on-oxide-conductivity-in-the-zr-2y-2o-7-y-3nbo-7-system-0907.4235"/></url>
<url><loc>https://scifaro.com/en/abs/on-discrete-thermodynamics-of-electrochemical-systems-and-electrochemical-oscillations-0907.4382</loc><lastmod>2009-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-discrete-thermodynamics-of-electrochemical-systems-and-electrochemical-oscillations-0907.4382"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-discrete-thermodynamics-of-electrochemical-systems-and-electrochemical-oscillations-0907.4382"/></url>
<url><loc>https://scifaro.com/en/abs/optical-control-of-dna-base-radio-sensitivity-0907.4721</loc><lastmod>2009-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-control-of-dna-base-radio-sensitivity-0907.4721"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-control-of-dna-base-radio-sensitivity-0907.4721"/></url>
<url><loc>https://scifaro.com/en/abs/a-dft-approach-to-non-covalent-interactions-via-monomer-polarization-and-pauli-blockade-0907.5286</loc><lastmod>2010-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-dft-approach-to-non-covalent-interactions-via-monomer-polarization-and-pauli-blockade-0907.5286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-dft-approach-to-non-covalent-interactions-via-monomer-polarization-and-pauli-blockade-0907.5286"/></url>
<url><loc>https://scifaro.com/en/abs/the-quantum-normal-form-approach-to-reactive-scattering-the-cumulative-reaction-probability-for-collinear-exchange-reactions-0908.0719</loc><lastmod>2010-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-quantum-normal-form-approach-to-reactive-scattering-the-cumulative-reaction-probability-for-collinear-exchange-reactions-0908.0719"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-quantum-normal-form-approach-to-reactive-scattering-the-cumulative-reaction-probability-for-collinear-exchange-reactions-0908.0719"/></url>
<url><loc>https://scifaro.com/en/abs/derivation-of-the-supermolecular-interaction-energy-from-the-monomer-densities-in-the-density-functional-theory-0908.0798</loc><lastmod>2010-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/derivation-of-the-supermolecular-interaction-energy-from-the-monomer-densities-in-the-density-functional-theory-0908.0798"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/derivation-of-the-supermolecular-interaction-energy-from-the-monomer-densities-in-the-density-functional-theory-0908.0798"/></url>
<url><loc>https://scifaro.com/en/abs/design-of-orbital-based-molecular-dynamics-method-0908.1160</loc><lastmod>2009-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/design-of-orbital-based-molecular-dynamics-method-0908.1160"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/design-of-orbital-based-molecular-dynamics-method-0908.1160"/></url>
<url><loc>https://scifaro.com/en/abs/reactive-interatomic-potentials-and-their-geometrical-features-0908.1540</loc><lastmod>2009-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactive-interatomic-potentials-and-their-geometrical-features-0908.1540"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactive-interatomic-potentials-and-their-geometrical-features-0908.1540"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-molecular-dynamics-with-forces-from-n-body-potentials-using-matlab-0908.1561</loc><lastmod>2009-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-molecular-dynamics-with-forces-from-n-body-potentials-using-matlab-0908.1561"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-molecular-dynamics-with-forces-from-n-body-potentials-using-matlab-0908.1561"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-chemical-reaction-energies-using-the-am05-density-functional-0908.1744</loc><lastmod>2009-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-chemical-reaction-energies-using-the-am05-density-functional-0908.1744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-chemical-reaction-energies-using-the-am05-density-functional-0908.1744"/></url>
<url><loc>https://scifaro.com/en/abs/a-pseudospectral-method-for-optimal-control-of-open-quantum-systems-0908.2093</loc><lastmod>2009-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-pseudospectral-method-for-optimal-control-of-open-quantum-systems-0908.2093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-pseudospectral-method-for-optimal-control-of-open-quantum-systems-0908.2093"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-statistico-dynamical-description-of-polyatomic-photo-dissociations-state-resolved-distributions-0908.2969</loc><lastmod>2017-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-statistico-dynamical-description-of-polyatomic-photo-dissociations-state-resolved-distributions-0908.2969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-statistico-dynamical-description-of-polyatomic-photo-dissociations-state-resolved-distributions-0908.2969"/></url>
<url><loc>https://scifaro.com/en/abs/collision-statistics-of-clusters-from-poisson-model-to-poisson-mixtures-0908.3047</loc><lastmod>2010-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collision-statistics-of-clusters-from-poisson-model-to-poisson-mixtures-0908.3047"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collision-statistics-of-clusters-from-poisson-model-to-poisson-mixtures-0908.3047"/></url>
<url><loc>https://scifaro.com/en/abs/activated-dissociation-of-o2-on-pb-111-surfaces-by-pb-adatoms-0908.3239</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/activated-dissociation-of-o2-on-pb-111-surfaces-by-pb-adatoms-0908.3239"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/activated-dissociation-of-o2-on-pb-111-surfaces-by-pb-adatoms-0908.3239"/></url>
<url><loc>https://scifaro.com/en/abs/influences-of-al-doping-on-the-electronic-structure-of-mg-0001-and-dissociation-property-of-h2-0908.3242</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influences-of-al-doping-on-the-electronic-structure-of-mg-0001-and-dissociation-property-of-h2-0908.3242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influences-of-al-doping-on-the-electronic-structure-of-mg-0001-and-dissociation-property-of-h2-0908.3242"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-oscillations-in-adsorption-energetics-of-atomic-oxygen-on-pb-111-ultrathin-films-a-density-functional-theory-study-0908.3368</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-oscillations-in-adsorption-energetics-of-atomic-oxygen-on-pb-111-ultrathin-films-a-density-functional-theory-study-0908.3368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-oscillations-in-adsorption-energetics-of-atomic-oxygen-on-pb-111-ultrathin-films-a-density-functional-theory-study-0908.3368"/></url>
<url><loc>https://scifaro.com/en/abs/one-dimensional-confinement-of-electric-field-and-humidity-dependent-dna-conductivity-0908.4093</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/one-dimensional-confinement-of-electric-field-and-humidity-dependent-dna-conductivity-0908.4093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/one-dimensional-confinement-of-electric-field-and-humidity-dependent-dna-conductivity-0908.4093"/></url>
<url><loc>https://scifaro.com/en/abs/homogeneous-bubble-nucleation-driven-by-local-hot-spots-a-molecular-dynamics-study-0908.4447</loc><lastmod>2009-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/homogeneous-bubble-nucleation-driven-by-local-hot-spots-a-molecular-dynamics-study-0908.4447"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/homogeneous-bubble-nucleation-driven-by-local-hot-spots-a-molecular-dynamics-study-0908.4447"/></url>
<url><loc>https://scifaro.com/en/abs/poissonian-and-non-poissonian-voronoi-diagrams-with-application-to-the-aggregation-of-molecules-0909.0089</loc><lastmod>2009-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/poissonian-and-non-poissonian-voronoi-diagrams-with-application-to-the-aggregation-of-molecules-0909.0089"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/poissonian-and-non-poissonian-voronoi-diagrams-with-application-to-the-aggregation-of-molecules-0909.0089"/></url>
<url><loc>https://scifaro.com/en/abs/linear-and-non-linear-susceptibilities-from-diffusion-quantum-monte-carlo-application-to-periodic-hydrogen-chains-0909.0385</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-and-non-linear-susceptibilities-from-diffusion-quantum-monte-carlo-application-to-periodic-hydrogen-chains-0909.0385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-and-non-linear-susceptibilities-from-diffusion-quantum-monte-carlo-application-to-periodic-hydrogen-chains-0909.0385"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-calculation-of-dipole-moments-0909.0873</loc><lastmod>2009-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-calculation-of-dipole-moments-0909.0873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-calculation-of-dipole-moments-0909.0873"/></url>
<url><loc>https://scifaro.com/en/abs/measuring-in-solution-multiple-fluorophore-labeling-by-combining-fluorescence-correlation-spectroscopy-and-photobleaching-0909.0878</loc><lastmod>2010-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-in-solution-multiple-fluorophore-labeling-by-combining-fluorescence-correlation-spectroscopy-and-photobleaching-0909.0878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-in-solution-multiple-fluorophore-labeling-by-combining-fluorescence-correlation-spectroscopy-and-photobleaching-0909.0878"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-mechanisms-in-petroleum-from-experimentation-to-upgrading-and-geological-conditions-0909.0896</loc><lastmod>2009-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-mechanisms-in-petroleum-from-experimentation-to-upgrading-and-geological-conditions-0909.0896"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-mechanisms-in-petroleum-from-experimentation-to-upgrading-and-geological-conditions-0909.0896"/></url>
<url><loc>https://scifaro.com/en/abs/a-mixed-basis-perturbation-approach-to-approximate-the-spectrum-of-laplace-operator-0909.0935</loc><lastmod>2009-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mixed-basis-perturbation-approach-to-approximate-the-spectrum-of-laplace-operator-0909.0935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mixed-basis-perturbation-approach-to-approximate-the-spectrum-of-laplace-operator-0909.0935"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-effects-on-the-free-energy-of-ionic-aqueous-clusters-evaluated-by-non-equilibrium-computational-methods-0909.2066</loc><lastmod>2010-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-effects-on-the-free-energy-of-ionic-aqueous-clusters-evaluated-by-non-equilibrium-computational-methods-0909.2066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-effects-on-the-free-energy-of-ionic-aqueous-clusters-evaluated-by-non-equilibrium-computational-methods-0909.2066"/></url>
<url><loc>https://scifaro.com/en/abs/a-thermodynamic-approach-of-the-mechano-chemical-coupling-during-the-oxidation-of-uranium-dioxide-0909.2605</loc><lastmod>2009-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-thermodynamic-approach-of-the-mechano-chemical-coupling-during-the-oxidation-of-uranium-dioxide-0909.2605"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-thermodynamic-approach-of-the-mechano-chemical-coupling-during-the-oxidation-of-uranium-dioxide-0909.2605"/></url>
<url><loc>https://scifaro.com/en/abs/exact-analytic-second-virial-coefficient-for-the-lennard-jones-fluid-0909.3326</loc><lastmod>2009-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-analytic-second-virial-coefficient-for-the-lennard-jones-fluid-0909.3326"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-analytic-second-virial-coefficient-for-the-lennard-jones-fluid-0909.3326"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-potential-energy-surfaces-for-nh-nh-with-analytical-long-range-0909.3417</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-potential-energy-surfaces-for-nh-nh-with-analytical-long-range-0909.3417"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-potential-energy-surfaces-for-nh-nh-with-analytical-long-range-0909.3417"/></url>
<url><loc>https://scifaro.com/en/abs/hyperfine-structure-in-the-microwave-spectra-of-ultracold-polar-molecules-0909.3644</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hyperfine-structure-in-the-microwave-spectra-of-ultracold-polar-molecules-0909.3644"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hyperfine-structure-in-the-microwave-spectra-of-ultracold-polar-molecules-0909.3644"/></url>
<url><loc>https://scifaro.com/en/abs/modulation-effects-within-the-mean-field-theory-of-electrolyte-solutions-0909.3824</loc><lastmod>2013-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modulation-effects-within-the-mean-field-theory-of-electrolyte-solutions-0909.3824"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modulation-effects-within-the-mean-field-theory-of-electrolyte-solutions-0909.3824"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-b-1-pi-state-of-nacs-0909.4757</loc><lastmod>2009-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-b-1-pi-state-of-nacs-0909.4757"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-b-1-pi-state-of-nacs-0909.4757"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-linear-response-and-scattering-of-an-interacting-molecule-metal-system-0909.4809</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-linear-response-and-scattering-of-an-interacting-molecule-metal-system-0909.4809"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-linear-response-and-scattering-of-an-interacting-molecule-metal-system-0909.4809"/></url>
<url><loc>https://scifaro.com/en/abs/non-radiative-decay-of-a-dipole-emitter-close-to-a-metallic-nanoparticle-importance-of-higher-order-multipole-contributions-0909.4878</loc><lastmod>2010-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-radiative-decay-of-a-dipole-emitter-close-to-a-metallic-nanoparticle-importance-of-higher-order-multipole-contributions-0909.4878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-radiative-decay-of-a-dipole-emitter-close-to-a-metallic-nanoparticle-importance-of-higher-order-multipole-contributions-0909.4878"/></url>
<url><loc>https://scifaro.com/en/abs/conical-intersections-charge-transfer-and-photoisomerization-pathway-selection-in-a-minimal-model-of-a-degenerate-monomethine-dye-0909.5242</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conical-intersections-charge-transfer-and-photoisomerization-pathway-selection-in-a-minimal-model-of-a-degenerate-monomethine-dye-0909.5242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conical-intersections-charge-transfer-and-photoisomerization-pathway-selection-in-a-minimal-model-of-a-degenerate-monomethine-dye-0909.5242"/></url>
<url><loc>https://scifaro.com/en/abs/optimized-unequal-pulse-spacing-in-multiple-echo-sequences-improves-refocusing-0909.5666</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimized-unequal-pulse-spacing-in-multiple-echo-sequences-improves-refocusing-0909.5666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimized-unequal-pulse-spacing-in-multiple-echo-sequences-improves-refocusing-0909.5666"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-an-analytical-density-matrix-derived-from-a-modified-colle-salvetti-approach-to-the-electron-gas-0910.0184</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-an-analytical-density-matrix-derived-from-a-modified-colle-salvetti-approach-to-the-electron-gas-0910.0184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-an-analytical-density-matrix-derived-from-a-modified-colle-salvetti-approach-to-the-electron-gas-0910.0184"/></url>
<url><loc>https://scifaro.com/en/abs/new-method-to-estimate-stability-of-chelate-complexes-0910.0357</loc><lastmod>2009-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-method-to-estimate-stability-of-chelate-complexes-0910.0357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-method-to-estimate-stability-of-chelate-complexes-0910.0357"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-accuracy-for-the-van-der-waals-density-functional-0910.0438</loc><lastmod>2009-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-accuracy-for-the-van-der-waals-density-functional-0910.0438"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-accuracy-for-the-van-der-waals-density-functional-0910.0438"/></url>
<url><loc>https://scifaro.com/en/abs/an-analytic-model-of-the-stereodynamics-of-rotationally-inelastic-molecular-collisions-0910.0952</loc><lastmod>2017-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-analytic-model-of-the-stereodynamics-of-rotationally-inelastic-molecular-collisions-0910.0952"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-analytic-model-of-the-stereodynamics-of-rotationally-inelastic-molecular-collisions-0910.0952"/></url>
<url><loc>https://scifaro.com/en/abs/van-der-waals-density-functional-an-appropriate-exchange-functional-0910.1250</loc><lastmod>2012-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/van-der-waals-density-functional-an-appropriate-exchange-functional-0910.1250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/van-der-waals-density-functional-an-appropriate-exchange-functional-0910.1250"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-algorithm-for-classical-density-functional-theory-in-three-dimensions-ionic-solutions-0910.1531</loc><lastmod>2010-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-algorithm-for-classical-density-functional-theory-in-three-dimensions-ionic-solutions-0910.1531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-algorithm-for-classical-density-functional-theory-in-three-dimensions-ionic-solutions-0910.1531"/></url>
<url><loc>https://scifaro.com/en/abs/applications-of-computer-simulations-and-statistical-mechanics-in-surface-electrochemistry-0910.2185</loc><lastmod>2009-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/applications-of-computer-simulations-and-statistical-mechanics-in-surface-electrochemistry-0910.2185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/applications-of-computer-simulations-and-statistical-mechanics-in-surface-electrochemistry-0910.2185"/></url>
<url><loc>https://scifaro.com/en/abs/ground-state-degeneracies-leave-recognizable-topological-scars-in-the-one-particle-density-0910.2947</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ground-state-degeneracies-leave-recognizable-topological-scars-in-the-one-particle-density-0910.2947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ground-state-degeneracies-leave-recognizable-topological-scars-in-the-one-particle-density-0910.2947"/></url>
<url><loc>https://scifaro.com/en/abs/full-configuration-interaction-wave-function-as-a-formal-solution-to-the-optimized-effective-potential-and-kohn-sham-models-in-finite-basis-sets-0910.3094</loc><lastmod>2010-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-configuration-interaction-wave-function-as-a-formal-solution-to-the-optimized-effective-potential-and-kohn-sham-models-in-finite-basis-sets-0910.3094"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-configuration-interaction-wave-function-as-a-formal-solution-to-the-optimized-effective-potential-and-kohn-sham-models-in-finite-basis-sets-0910.3094"/></url>
<url><loc>https://scifaro.com/en/abs/derivatives-of-spin-dynamics-simulations-0910.3593</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/derivatives-of-spin-dynamics-simulations-0910.3593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/derivatives-of-spin-dynamics-simulations-0910.3593"/></url>
<url><loc>https://scifaro.com/en/abs/subsystem-constraints-in-variational-second-order-density-matrix-optimization-curing-the-dissociative-behavior-0910.4094</loc><lastmod>2010-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/subsystem-constraints-in-variational-second-order-density-matrix-optimization-curing-the-dissociative-behavior-0910.4094"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/subsystem-constraints-in-variational-second-order-density-matrix-optimization-curing-the-dissociative-behavior-0910.4094"/></url>
<url><loc>https://scifaro.com/en/abs/pressure-broadening-and-pressure-shift-of-diatomic-iodine-at-675-nm-0910.5053</loc><lastmod>2009-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pressure-broadening-and-pressure-shift-of-diatomic-iodine-at-675-nm-0910.5053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pressure-broadening-and-pressure-shift-of-diatomic-iodine-at-675-nm-0910.5053"/></url>
<url><loc>https://scifaro.com/en/abs/diffuse-charge-effects-on-the-transient-response-of-electrochemical-cells-0910.5357</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffuse-charge-effects-on-the-transient-response-of-electrochemical-cells-0910.5357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffuse-charge-effects-on-the-transient-response-of-electrochemical-cells-0910.5357"/></url>
<url><loc>https://scifaro.com/en/abs/a-theoretical-study-on-a-reaction-of-iron-iii-hydroxide-with-boron-trichloride-by-ab-initio-calculation-0910.5633</loc><lastmod>2009-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-theoretical-study-on-a-reaction-of-iron-iii-hydroxide-with-boron-trichloride-by-ab-initio-calculation-0910.5633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-theoretical-study-on-a-reaction-of-iron-iii-hydroxide-with-boron-trichloride-by-ab-initio-calculation-0910.5633"/></url>
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<url><loc>https://scifaro.com/en/abs/lifetime-positron-annihilation-spectroscopy-and-photo-inactivated-bacteria-0911.1389</loc><lastmod>2010-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lifetime-positron-annihilation-spectroscopy-and-photo-inactivated-bacteria-0911.1389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lifetime-positron-annihilation-spectroscopy-and-photo-inactivated-bacteria-0911.1389"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-dynamics-of-capacitive-charging-and-desalination-by-porous-electrodes-0911.1747</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-dynamics-of-capacitive-charging-and-desalination-by-porous-electrodes-0911.1747"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-dynamics-of-capacitive-charging-and-desalination-by-porous-electrodes-0911.1747"/></url>
<url><loc>https://scifaro.com/en/abs/origin-of-power-laws-for-reactions-at-metal-surfaces-mediated-by-hot-electrons-0911.1858</loc><lastmod>2009-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/origin-of-power-laws-for-reactions-at-metal-surfaces-mediated-by-hot-electrons-0911.1858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/origin-of-power-laws-for-reactions-at-metal-surfaces-mediated-by-hot-electrons-0911.1858"/></url>
<url><loc>https://scifaro.com/en/abs/simple-isotherm-equations-to-fit-type-i-adsorption-data-0911.2012</loc><lastmod>2012-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-isotherm-equations-to-fit-type-i-adsorption-data-0911.2012"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-isotherm-equations-to-fit-type-i-adsorption-data-0911.2012"/></url>
<url><loc>https://scifaro.com/en/abs/ir-spectrum-of-the-o-h-o-hydrogen-bond-of-phthalic-acid-monomethylester-in-gas-phase-and-in-ccl-4-solution-0911.2593</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ir-spectrum-of-the-o-h-o-hydrogen-bond-of-phthalic-acid-monomethylester-in-gas-phase-and-in-ccl-4-solution-0911.2593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ir-spectrum-of-the-o-h-o-hydrogen-bond-of-phthalic-acid-monomethylester-in-gas-phase-and-in-ccl-4-solution-0911.2593"/></url>
<url><loc>https://scifaro.com/en/abs/doping-graphene-by-adsorption-of-polar-molecules-at-the-oxidized-zigzag-edges-0911.3046</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/doping-graphene-by-adsorption-of-polar-molecules-at-the-oxidized-zigzag-edges-0911.3046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/doping-graphene-by-adsorption-of-polar-molecules-at-the-oxidized-zigzag-edges-0911.3046"/></url>
<url><loc>https://scifaro.com/en/abs/solvation-induced-one-dimensional-polarons-and-electron-transfer-0911.3078</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvation-induced-one-dimensional-polarons-and-electron-transfer-0911.3078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvation-induced-one-dimensional-polarons-and-electron-transfer-0911.3078"/></url>
<url><loc>https://scifaro.com/en/abs/compact-and-flexible-basis-functions-for-quantum-monte-carlo-calculations-0911.3435</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compact-and-flexible-basis-functions-for-quantum-monte-carlo-calculations-0911.3435"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compact-and-flexible-basis-functions-for-quantum-monte-carlo-calculations-0911.3435"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-propagation-of-wigner-functions-0911.3871</loc><lastmod>2010-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-propagation-of-wigner-functions-0911.3871"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-propagation-of-wigner-functions-0911.3871"/></url>
<url><loc>https://scifaro.com/en/abs/gold-nanoparticles-generated-in-ethosome-bilayers-as-revealed-by-cryo-electron-tomography-0911.3998</loc><lastmod>2009-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gold-nanoparticles-generated-in-ethosome-bilayers-as-revealed-by-cryo-electron-tomography-0911.3998"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gold-nanoparticles-generated-in-ethosome-bilayers-as-revealed-by-cryo-electron-tomography-0911.3998"/></url>
<url><loc>https://scifaro.com/en/abs/ligand-exchange-in-gold-coated-fept-nanoparticles-0911.4374</loc><lastmod>2009-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ligand-exchange-in-gold-coated-fept-nanoparticles-0911.4374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ligand-exchange-in-gold-coated-fept-nanoparticles-0911.4374"/></url>
<url><loc>https://scifaro.com/en/abs/finite-nuclear-mass-corrections-to-electric-and-magnetic-interactions-in-diatomic-molecules-0911.4844</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finite-nuclear-mass-corrections-to-electric-and-magnetic-interactions-in-diatomic-molecules-0911.4844"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finite-nuclear-mass-corrections-to-electric-and-magnetic-interactions-in-diatomic-molecules-0911.4844"/></url>
<url><loc>https://scifaro.com/en/abs/are-all-quasi-static-processes-reversible-0911.5010</loc><lastmod>2009-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/are-all-quasi-static-processes-reversible-0911.5010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/are-all-quasi-static-processes-reversible-0911.5010"/></url>
<url><loc>https://scifaro.com/en/abs/conformational-free-energies-of-methyl-alpha-l-iduronic-and-methyl-beta-d-glucuronic-acids-in-water-0911.5132</loc><lastmod>2010-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformational-free-energies-of-methyl-alpha-l-iduronic-and-methyl-beta-d-glucuronic-acids-in-water-0911.5132"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformational-free-energies-of-methyl-alpha-l-iduronic-and-methyl-beta-d-glucuronic-acids-in-water-0911.5132"/></url>
<url><loc>https://scifaro.com/en/abs/relation-between-static-short-range-order-and-dynamic-heterogeneities-in-a-nanoconfined-liquid-crystal-0911.5330</loc><lastmod>2009-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relation-between-static-short-range-order-and-dynamic-heterogeneities-in-a-nanoconfined-liquid-crystal-0911.5330"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relation-between-static-short-range-order-and-dynamic-heterogeneities-in-a-nanoconfined-liquid-crystal-0911.5330"/></url>
<url><loc>https://scifaro.com/en/abs/sorption-of-eu-iii-on-attapulgite-studied-by-batch-xps-and-exafs-techniques-0912.0785</loc><lastmod>2009-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sorption-of-eu-iii-on-attapulgite-studied-by-batch-xps-and-exafs-techniques-0912.0785"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sorption-of-eu-iii-on-attapulgite-studied-by-batch-xps-and-exafs-techniques-0912.0785"/></url>
<url><loc>https://scifaro.com/en/abs/determination-of-rate-constant-of-chemical-reactions-by-simple-numerical-nonlinear-analysis-0912.1410</loc><lastmod>2009-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determination-of-rate-constant-of-chemical-reactions-by-simple-numerical-nonlinear-analysis-0912.1410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determination-of-rate-constant-of-chemical-reactions-by-simple-numerical-nonlinear-analysis-0912.1410"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-cholesky-decomposition-for-electron-propagator-methods-general-aspects-and-application-on-c60-0912.1459</loc><lastmod>2010-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-cholesky-decomposition-for-electron-propagator-methods-general-aspects-and-application-on-c60-0912.1459"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-cholesky-decomposition-for-electron-propagator-methods-general-aspects-and-application-on-c60-0912.1459"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-evidence-for-quantum-states-in-aqueous-vanadium-pentoxide-with-positron-lifetime-spectroscopy-0912.1570</loc><lastmod>2010-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-evidence-for-quantum-states-in-aqueous-vanadium-pentoxide-with-positron-lifetime-spectroscopy-0912.1570"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-evidence-for-quantum-states-in-aqueous-vanadium-pentoxide-with-positron-lifetime-spectroscopy-0912.1570"/></url>
<url><loc>https://scifaro.com/en/abs/infrared-laser-driven-double-proton-transfer-an-optimal-control-theory-study-0912.1715</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infrared-laser-driven-double-proton-transfer-an-optimal-control-theory-study-0912.1715"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infrared-laser-driven-double-proton-transfer-an-optimal-control-theory-study-0912.1715"/></url>
<url><loc>https://scifaro.com/en/abs/topological-atomic-displacements-kirchhoff-and-wiener-indices-of-molecules-0912.2628</loc><lastmod>2010-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topological-atomic-displacements-kirchhoff-and-wiener-indices-of-molecules-0912.2628"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topological-atomic-displacements-kirchhoff-and-wiener-indices-of-molecules-0912.2628"/></url>
<url><loc>https://scifaro.com/en/abs/stress-tensor-of-the-hydrogen-molecular-ion-0912.2792</loc><lastmod>2009-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stress-tensor-of-the-hydrogen-molecular-ion-0912.2792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stress-tensor-of-the-hydrogen-molecular-ion-0912.2792"/></url>
<url><loc>https://scifaro.com/en/abs/ionic-force-field-optimization-based-on-single-ion-and-ion-pair-solvation-properties-0912.4526</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionic-force-field-optimization-based-on-single-ion-and-ion-pair-solvation-properties-0912.4526"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionic-force-field-optimization-based-on-single-ion-and-ion-pair-solvation-properties-0912.4526"/></url>
<url><loc>https://scifaro.com/en/abs/optoelectronic-properties-of-carbon-nanorings-excitonic-effects-from-time-dependent-density-functional-theory-0912.4707</loc><lastmod>2009-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optoelectronic-properties-of-carbon-nanorings-excitonic-effects-from-time-dependent-density-functional-theory-0912.4707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optoelectronic-properties-of-carbon-nanorings-excitonic-effects-from-time-dependent-density-functional-theory-0912.4707"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-dimers-of-pseudoisocyanine-1001.0110</loc><lastmod>2010-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-dimers-of-pseudoisocyanine-1001.0110"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-dimers-of-pseudoisocyanine-1001.0110"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-energy-transfer-study-with-non-markovian-dynamics-1001.0809</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-energy-transfer-study-with-non-markovian-dynamics-1001.0809"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-energy-transfer-study-with-non-markovian-dynamics-1001.0809"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-application-of-canonical-perturbation-theory-up-to-the-dissociation-threshold-1001.0835</loc><lastmod>2010-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-application-of-canonical-perturbation-theory-up-to-the-dissociation-threshold-1001.0835"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-application-of-canonical-perturbation-theory-up-to-the-dissociation-threshold-1001.0835"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-coherence-dephasing-in-excitonic-molecular-complexes-role-of-markov-and-secular-approximations-1001.1657</loc><lastmod>2012-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-coherence-dephasing-in-excitonic-molecular-complexes-role-of-markov-and-secular-approximations-1001.1657"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-coherence-dephasing-in-excitonic-molecular-complexes-role-of-markov-and-secular-approximations-1001.1657"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-properties-of-low-dimensional-structures-1001.1692</loc><lastmod>2010-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-properties-of-low-dimensional-structures-1001.1692"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-properties-of-low-dimensional-structures-1001.1692"/></url>
<url><loc>https://scifaro.com/en/abs/inelastic-collisions-and-chemical-reactions-of-molecules-at-ultracold-temperatures-1001.1713</loc><lastmod>2010-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inelastic-collisions-and-chemical-reactions-of-molecules-at-ultracold-temperatures-1001.1713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inelastic-collisions-and-chemical-reactions-of-molecules-at-ultracold-temperatures-1001.1713"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-of-the-anode-side-of-a-direct-methanol-fuel-cell-with-analytical-solutions-1001.1923</loc><lastmod>2010-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-of-the-anode-side-of-a-direct-methanol-fuel-cell-with-analytical-solutions-1001.1923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-of-the-anode-side-of-a-direct-methanol-fuel-cell-with-analytical-solutions-1001.1923"/></url>
<url><loc>https://scifaro.com/en/abs/correlations-beyond-ccsd-t-for-accurate-study-of-hg-2-and-cp-2-1001.2046</loc><lastmod>2010-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlations-beyond-ccsd-t-for-accurate-study-of-hg-2-and-cp-2-1001.2046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlations-beyond-ccsd-t-for-accurate-study-of-hg-2-and-cp-2-1001.2046"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopy-of-nickel-monosulfide-in-450-560-nm-by-laser-induced-fluorescence-and-dispersed-fluorescence-techniques-1001.2158</loc><lastmod>2010-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopy-of-nickel-monosulfide-in-450-560-nm-by-laser-induced-fluorescence-and-dispersed-fluorescence-techniques-1001.2158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopy-of-nickel-monosulfide-in-450-560-nm-by-laser-induced-fluorescence-and-dispersed-fluorescence-techniques-1001.2158"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-calculation-of-many-electron-systems-in-cartesian-coordinate-grid-1001.2370</loc><lastmod>2013-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-calculation-of-many-electron-systems-in-cartesian-coordinate-grid-1001.2370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-calculation-of-many-electron-systems-in-cartesian-coordinate-grid-1001.2370"/></url>
<url><loc>https://scifaro.com/en/abs/a-dark-excited-state-of-fluorescent-protein-chromophores-considered-as-brooker-dyes-1001.2593</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-dark-excited-state-of-fluorescent-protein-chromophores-considered-as-brooker-dyes-1001.2593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-dark-excited-state-of-fluorescent-protein-chromophores-considered-as-brooker-dyes-1001.2593"/></url>
<url><loc>https://scifaro.com/en/abs/models-of-electrolyte-solutions-from-molecular-descriptions-the-example-of-nacl-solutions-1001.2648</loc><lastmod>2010-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/models-of-electrolyte-solutions-from-molecular-descriptions-the-example-of-nacl-solutions-1001.2648"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/models-of-electrolyte-solutions-from-molecular-descriptions-the-example-of-nacl-solutions-1001.2648"/></url>
<url><loc>https://scifaro.com/en/abs/the-1s-1s-asymptote-of-sr-2-studied-by-fourier-transform-spectroscopy-1001.2741</loc><lastmod>2010-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-1s-1s-asymptote-of-sr-2-studied-by-fourier-transform-spectroscopy-1001.2741"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-1s-1s-asymptote-of-sr-2-studied-by-fourier-transform-spectroscopy-1001.2741"/></url>
<url><loc>https://scifaro.com/en/abs/an-annotated-english-translation-of-kinetics-of-stationary-reactions-m-i-temkin-dolk-akad-nauk-sssr-152-156-1963-1001.2861</loc><lastmod>2010-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-annotated-english-translation-of-kinetics-of-stationary-reactions-m-i-temkin-dolk-akad-nauk-sssr-152-156-1963-1001.2861"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-annotated-english-translation-of-kinetics-of-stationary-reactions-m-i-temkin-dolk-akad-nauk-sssr-152-156-1963-1001.2861"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-calculations-of-the-potential-energy-curve-of-the-helium-dimer-1001.3261</loc><lastmod>2010-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-calculations-of-the-potential-energy-curve-of-the-helium-dimer-1001.3261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-calculations-of-the-potential-energy-curve-of-the-helium-dimer-1001.3261"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-calculated-potential-energy-curve-for-the-helium-dimer-1001.3268</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-calculated-potential-energy-curve-for-the-helium-dimer-1001.3268"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-calculated-potential-energy-curve-for-the-helium-dimer-1001.3268"/></url>
<url><loc>https://scifaro.com/en/abs/puckering-free-energy-of-pyranoses-using-a-combined-metadynamics-umbrella-sampling-approach-1001.3667</loc><lastmod>2010-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/puckering-free-energy-of-pyranoses-using-a-combined-metadynamics-umbrella-sampling-approach-1001.3667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/puckering-free-energy-of-pyranoses-using-a-combined-metadynamics-umbrella-sampling-approach-1001.3667"/></url>
<url><loc>https://scifaro.com/en/abs/zno-nanoforms-the-state-of-the-art-of-synthetic-strategies-1001.3962</loc><lastmod>2016-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zno-nanoforms-the-state-of-the-art-of-synthetic-strategies-1001.3962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zno-nanoforms-the-state-of-the-art-of-synthetic-strategies-1001.3962"/></url>
<url><loc>https://scifaro.com/en/abs/ground-and-excited-states-of-li-be-through-a-density-based-approach-1001.4869</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ground-and-excited-states-of-li-be-through-a-density-based-approach-1001.4869"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ground-and-excited-states-of-li-be-through-a-density-based-approach-1001.4869"/></url>
<url><loc>https://scifaro.com/en/abs/electrophilicity-equalization-principle-1001.4944</loc><lastmod>2010-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrophilicity-equalization-principle-1001.4944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrophilicity-equalization-principle-1001.4944"/></url>
<url><loc>https://scifaro.com/en/abs/reactions-of-c-2-it-a-3pi-u-with-selected-saturated-alkanes-a-temperature-dependence-study-1001.5342</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactions-of-c-2-it-a-3pi-u-with-selected-saturated-alkanes-a-temperature-dependence-study-1001.5342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactions-of-c-2-it-a-3pi-u-with-selected-saturated-alkanes-a-temperature-dependence-study-1001.5342"/></url>
<url><loc>https://scifaro.com/en/abs/the-novelty-of-syntheses-varied-applications-of-zno-nano-systems-1002.0199</loc><lastmod>2016-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-novelty-of-syntheses-varied-applications-of-zno-nano-systems-1002.0199"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-novelty-of-syntheses-varied-applications-of-zno-nano-systems-1002.0199"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-rotator-some-examples-in-modern-spirit-1002.0565</loc><lastmod>2011-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-rotator-some-examples-in-modern-spirit-1002.0565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-rotator-some-examples-in-modern-spirit-1002.0565"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-of-c-2-a-3pi-u-with-methanol-temperature-dependence-and-deuterium-isotope-effect-1002.1203</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-of-c-2-a-3pi-u-with-methanol-temperature-dependence-and-deuterium-isotope-effect-1002.1203"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-of-c-2-a-3pi-u-with-methanol-temperature-dependence-and-deuterium-isotope-effect-1002.1203"/></url>
<url><loc>https://scifaro.com/en/abs/helium-clusters-capture-of-heliophobes-strong-depletion-and-spin-dependent-pick-up-statistics-1002.1427</loc><lastmod>2010-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/helium-clusters-capture-of-heliophobes-strong-depletion-and-spin-dependent-pick-up-statistics-1002.1427"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/helium-clusters-capture-of-heliophobes-strong-depletion-and-spin-dependent-pick-up-statistics-1002.1427"/></url>
<url><loc>https://scifaro.com/en/abs/when-diffraction-rules-the-stereodynamics-of-rotationally-inelastic-collisions-1002.1572</loc><lastmod>2010-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/when-diffraction-rules-the-stereodynamics-of-rotationally-inelastic-collisions-1002.1572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/when-diffraction-rules-the-stereodynamics-of-rotationally-inelastic-collisions-1002.1572"/></url>
<url><loc>https://scifaro.com/en/abs/pseudopotential-density-functional-treament-of-atoms-and-molecules-in-cartesian-coordinate-grid-1002.2824</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pseudopotential-density-functional-treament-of-atoms-and-molecules-in-cartesian-coordinate-grid-1002.2824"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pseudopotential-density-functional-treament-of-atoms-and-molecules-in-cartesian-coordinate-grid-1002.2824"/></url>
<url><loc>https://scifaro.com/en/abs/decoherence-in-weakly-coupled-excitonic-complexes-1002.2843</loc><lastmod>2012-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decoherence-in-weakly-coupled-excitonic-complexes-1002.2843"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decoherence-in-weakly-coupled-excitonic-complexes-1002.2843"/></url>
<url><loc>https://scifaro.com/en/abs/glass-transition-with-decreasing-correlation-length-during-cooling-of-fe50co50-superlattice-and-strong-liquids-1002.3206</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/glass-transition-with-decreasing-correlation-length-during-cooling-of-fe50co50-superlattice-and-strong-liquids-1002.3206"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/glass-transition-with-decreasing-correlation-length-during-cooling-of-fe50co50-superlattice-and-strong-liquids-1002.3206"/></url>
<url><loc>https://scifaro.com/en/abs/photostop-production-of-zero-velocity-molecules-by-photodissociation-in-a-molecular-beam-1002.3698</loc><lastmod>2013-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photostop-production-of-zero-velocity-molecules-by-photodissociation-in-a-molecular-beam-1002.3698"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photostop-production-of-zero-velocity-molecules-by-photodissociation-in-a-molecular-beam-1002.3698"/></url>
<url><loc>https://scifaro.com/en/abs/directed-transport-in-a-ratchet-with-internal-and-chemical-freedoms-1002.4012</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/directed-transport-in-a-ratchet-with-internal-and-chemical-freedoms-1002.4012"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/directed-transport-in-a-ratchet-with-internal-and-chemical-freedoms-1002.4012"/></url>
<url><loc>https://scifaro.com/en/abs/changes-in-the-zero-point-energy-of-the-protons-as-the-source-of-the-binding-energy-of-water-to-a-phase-dna-1002.4398</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/changes-in-the-zero-point-energy-of-the-protons-as-the-source-of-the-binding-energy-of-water-to-a-phase-dna-1002.4398"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/changes-in-the-zero-point-energy-of-the-protons-as-the-source-of-the-binding-energy-of-water-to-a-phase-dna-1002.4398"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-anti-relaxation-coatings-for-alkali-metal-vapor-cells-using-surface-science-techniques-1002.4417</loc><lastmod>2010-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-anti-relaxation-coatings-for-alkali-metal-vapor-cells-using-surface-science-techniques-1002.4417"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-anti-relaxation-coatings-for-alkali-metal-vapor-cells-using-surface-science-techniques-1002.4417"/></url>
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<url><loc>https://scifaro.com/en/abs/measuring-individual-overpotentials-in-an-operating-solid-oxide-electrochemical-cell-1003.0035</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-individual-overpotentials-in-an-operating-solid-oxide-electrochemical-cell-1003.0035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-individual-overpotentials-in-an-operating-solid-oxide-electrochemical-cell-1003.0035"/></url>
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<url><loc>https://scifaro.com/en/abs/efficient-pseudo-random-number-generators-for-biomolecular-simulations-on-graphics-processors-1003.1123</loc><lastmod>2010-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-pseudo-random-number-generators-for-biomolecular-simulations-on-graphics-processors-1003.1123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-pseudo-random-number-generators-for-biomolecular-simulations-on-graphics-processors-1003.1123"/></url>
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<url><loc>https://scifaro.com/en/abs/self-assembly-of-nanocomponents-into-composite-structures-derivation-and-simulation-of-langevin-equations-1003.1563</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-assembly-of-nanocomponents-into-composite-structures-derivation-and-simulation-of-langevin-equations-1003.1563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-assembly-of-nanocomponents-into-composite-structures-derivation-and-simulation-of-langevin-equations-1003.1563"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-battery-charging-method-suggested-by-molecular-dynamics-simulations-1003.1678</loc><lastmod>2010-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-battery-charging-method-suggested-by-molecular-dynamics-simulations-1003.1678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-battery-charging-method-suggested-by-molecular-dynamics-simulations-1003.1678"/></url>
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<url><loc>https://scifaro.com/en/abs/application-of-the-r-matrix-method-to-photoionization-of-molecules-1003.2261</loc><lastmod>2010-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-the-r-matrix-method-to-photoionization-of-molecules-1003.2261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-the-r-matrix-method-to-photoionization-of-molecules-1003.2261"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-implementation-of-leaping-in-space-the-spatial-partitioned-leaping-algorithm-1003.2845</loc><lastmod>2010-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-implementation-of-leaping-in-space-the-spatial-partitioned-leaping-algorithm-1003.2845"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-implementation-of-leaping-in-space-the-spatial-partitioned-leaping-algorithm-1003.2845"/></url>
<url><loc>https://scifaro.com/en/abs/nqr-frequencies-of-anhydrous-carbamazepine-polymorphic-phases-1003.3001</loc><lastmod>2010-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nqr-frequencies-of-anhydrous-carbamazepine-polymorphic-phases-1003.3001"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nqr-frequencies-of-anhydrous-carbamazepine-polymorphic-phases-1003.3001"/></url>
<url><loc>https://scifaro.com/en/abs/energy-transfer-from-individual-semiconductor-nanocrystals-to-graphene-1003.3027</loc><lastmod>2013-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-transfer-from-individual-semiconductor-nanocrystals-to-graphene-1003.3027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-transfer-from-individual-semiconductor-nanocrystals-to-graphene-1003.3027"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-model-of-non-debye-relaxation-1003.3917</loc><lastmod>2010-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-model-of-non-debye-relaxation-1003.3917"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-model-of-non-debye-relaxation-1003.3917"/></url>
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<url><loc>https://scifaro.com/en/abs/configurational-prigogine-defay-ratio-1004.1272</loc><lastmod>2012-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/configurational-prigogine-defay-ratio-1004.1272"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/configurational-prigogine-defay-ratio-1004.1272"/></url>
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<url><loc>https://scifaro.com/en/abs/fine-tuning-molecular-energy-levels-by-nonresonant-laser-pulses-1004.1742</loc><lastmod>2015-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fine-tuning-molecular-energy-levels-by-nonresonant-laser-pulses-1004.1742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fine-tuning-molecular-energy-levels-by-nonresonant-laser-pulses-1004.1742"/></url>
<url><loc>https://scifaro.com/en/abs/radiative-corrections-to-the-off-resonant-maxwell-garnett-dielectric-constant-and-the-spectrum-of-emission-1004.2026</loc><lastmod>2010-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/radiative-corrections-to-the-off-resonant-maxwell-garnett-dielectric-constant-and-the-spectrum-of-emission-1004.2026"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/radiative-corrections-to-the-off-resonant-maxwell-garnett-dielectric-constant-and-the-spectrum-of-emission-1004.2026"/></url>
<url><loc>https://scifaro.com/en/abs/third-bose-fugacity-coefficient-in-one-dimension-as-a-function-of-asymptotic-quantities-1004.2513</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/third-bose-fugacity-coefficient-in-one-dimension-as-a-function-of-asymptotic-quantities-1004.2513"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/third-bose-fugacity-coefficient-in-one-dimension-as-a-function-of-asymptotic-quantities-1004.2513"/></url>
<url><loc>https://scifaro.com/en/abs/accuracy-of-the-faddeev-random-phase-approximation-for-light-atoms-1004.2607</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accuracy-of-the-faddeev-random-phase-approximation-for-light-atoms-1004.2607"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accuracy-of-the-faddeev-random-phase-approximation-for-light-atoms-1004.2607"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-double-core-hole-electron-spectroscopy-for-chemical-analysis-1004.3092</loc><lastmod>2010-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-double-core-hole-electron-spectroscopy-for-chemical-analysis-1004.3092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-double-core-hole-electron-spectroscopy-for-chemical-analysis-1004.3092"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-packing-and-chemical-association-in-liquid-water-simulated-using-ab-initio-hybrid-monte-carlo-and-different-exchange-correlation-functionals-1004.3223</loc><lastmod>2010-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-packing-and-chemical-association-in-liquid-water-simulated-using-ab-initio-hybrid-monte-carlo-and-different-exchange-correlation-functionals-1004.3223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-packing-and-chemical-association-in-liquid-water-simulated-using-ab-initio-hybrid-monte-carlo-and-different-exchange-correlation-functionals-1004.3223"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-chemical-composition-on-enthalpy-of-evaporation-and-equilibrium-vapor-pressure-1004.3400</loc><lastmod>2010-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-chemical-composition-on-enthalpy-of-evaporation-and-equilibrium-vapor-pressure-1004.3400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-chemical-composition-on-enthalpy-of-evaporation-and-equilibrium-vapor-pressure-1004.3400"/></url>
<url><loc>https://scifaro.com/en/abs/electron-paramagnetic-resonance-study-of-ersc2nc80-1004.3912</loc><lastmod>2010-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-paramagnetic-resonance-study-of-ersc2nc80-1004.3912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-paramagnetic-resonance-study-of-ersc2nc80-1004.3912"/></url>
<url><loc>https://scifaro.com/en/abs/coumarin-dyes-for-dye-sensitized-solar-cells-a-long-range-corrected-density-functional-study-1004.4242</loc><lastmod>2010-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coumarin-dyes-for-dye-sensitized-solar-cells-a-long-range-corrected-density-functional-study-1004.4242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coumarin-dyes-for-dye-sensitized-solar-cells-a-long-range-corrected-density-functional-study-1004.4242"/></url>
<url><loc>https://scifaro.com/en/abs/noncovalent-interactions-in-supramolecular-complexes-a-study-on-corannulene-and-the-double-concave-buckycatcher-1004.4243</loc><lastmod>2010-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noncovalent-interactions-in-supramolecular-complexes-a-study-on-corannulene-and-the-double-concave-buckycatcher-1004.4243"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noncovalent-interactions-in-supramolecular-complexes-a-study-on-corannulene-and-the-double-concave-buckycatcher-1004.4243"/></url>
<url><loc>https://scifaro.com/en/abs/relaxation-of-chemical-reactions-to-stationary-states-in-the-chemical-affinities-space-1004.4566</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relaxation-of-chemical-reactions-to-stationary-states-in-the-chemical-affinities-space-1004.4566"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relaxation-of-chemical-reactions-to-stationary-states-in-the-chemical-affinities-space-1004.4566"/></url>
<url><loc>https://scifaro.com/en/abs/dispersion-interactions-from-a-local-polarizability-model-1004.4850</loc><lastmod>2015-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dispersion-interactions-from-a-local-polarizability-model-1004.4850"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dispersion-interactions-from-a-local-polarizability-model-1004.4850"/></url>
<url><loc>https://scifaro.com/en/abs/complete-graph-tensor-network-states-a-new-fermionic-wave-function-ansatz-for-molecules-1004.5303</loc><lastmod>2010-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complete-graph-tensor-network-states-a-new-fermionic-wave-function-ansatz-for-molecules-1004.5303"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complete-graph-tensor-network-states-a-new-fermionic-wave-function-ansatz-for-molecules-1004.5303"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-density-functional-theory-for-quantum-transport-1005.0243</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-density-functional-theory-for-quantum-transport-1005.0243"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-density-functional-theory-for-quantum-transport-1005.0243"/></url>
<url><loc>https://scifaro.com/en/abs/can-the-photosynthesis-first-step-quantum-mechanism-be-explained-1005.1337</loc><lastmod>2010-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-the-photosynthesis-first-step-quantum-mechanism-be-explained-1005.1337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-the-photosynthesis-first-step-quantum-mechanism-be-explained-1005.1337"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-electron-correlation-in-density-matrix-time-propagation-1005.1341</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-electron-correlation-in-density-matrix-time-propagation-1005.1341"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-electron-correlation-in-density-matrix-time-propagation-1005.1341"/></url>
<url><loc>https://scifaro.com/en/abs/small-polaron-confinement-revisited-1005.2577</loc><lastmod>2010-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/small-polaron-confinement-revisited-1005.2577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/small-polaron-confinement-revisited-1005.2577"/></url>
<url><loc>https://scifaro.com/en/abs/anomalously-large-capacitance-of-an-ionic-liquid-described-by-the-restricted-primitive-model-1005.3065</loc><lastmod>2010-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anomalously-large-capacitance-of-an-ionic-liquid-described-by-the-restricted-primitive-model-1005.3065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anomalously-large-capacitance-of-an-ionic-liquid-described-by-the-restricted-primitive-model-1005.3065"/></url>
<url><loc>https://scifaro.com/en/abs/photoionization-spectroscopy-of-excited-states-of-cold-cesium-dimers-1005.3283</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoionization-spectroscopy-of-excited-states-of-cold-cesium-dimers-1005.3283"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoionization-spectroscopy-of-excited-states-of-cold-cesium-dimers-1005.3283"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-ice-temperature-dependence-of-water-ice-photodesorption-1005.3617</loc><lastmod>2010-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-ice-temperature-dependence-of-water-ice-photodesorption-1005.3617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-ice-temperature-dependence-of-water-ice-photodesorption-1005.3617"/></url>
<url><loc>https://scifaro.com/en/abs/photolysis-of-pure-solid-o3-and-o2-films-at-193-nm-1005.5109</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photolysis-of-pure-solid-o3-and-o2-films-at-193-nm-1005.5109"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photolysis-of-pure-solid-o3-and-o2-films-at-193-nm-1005.5109"/></url>
<url><loc>https://scifaro.com/en/abs/eigenfunctions-for-liouville-operators-classical-collision-operators-and-collision-bracket-integrals-in-kinetic-theory-1005.5304</loc><lastmod>2010-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eigenfunctions-for-liouville-operators-classical-collision-operators-and-collision-bracket-integrals-in-kinetic-theory-1005.5304"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eigenfunctions-for-liouville-operators-classical-collision-operators-and-collision-bracket-integrals-in-kinetic-theory-1005.5304"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-onsager-wilson-theory-of-wien-effect-on-strong-binary-electrolytes-in-a-high-external-electric-field-1005.5308</loc><lastmod>2010-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-onsager-wilson-theory-of-wien-effect-on-strong-binary-electrolytes-in-a-high-external-electric-field-1005.5308"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-onsager-wilson-theory-of-wien-effect-on-strong-binary-electrolytes-in-a-high-external-electric-field-1005.5308"/></url>
<url><loc>https://scifaro.com/en/abs/equilibrium-structure-and-vibrational-spectra-of-sila-adamantane-1005.5381</loc><lastmod>2010-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equilibrium-structure-and-vibrational-spectra-of-sila-adamantane-1005.5381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equilibrium-structure-and-vibrational-spectra-of-sila-adamantane-1005.5381"/></url>
<url><loc>https://scifaro.com/en/abs/why-do-surface-tensions-of-most-of-organic-liquids-demonstrate-close-values-1006.0356</loc><lastmod>2010-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/why-do-surface-tensions-of-most-of-organic-liquids-demonstrate-close-values-1006.0356"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/why-do-surface-tensions-of-most-of-organic-liquids-demonstrate-close-values-1006.0356"/></url>
<url><loc>https://scifaro.com/en/abs/a-missing-high-spin-molecule-in-the-family-of-cyano-bridged-heptanuclear-heterometal-complexes-lcuii-6feiii-cn-6-3-and-its-coiii-and-criii-analogues-accompanied-in-the-crystal-by-a-novel-octameric-water-cluster-1006.0389</loc><lastmod>2010-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-missing-high-spin-molecule-in-the-family-of-cyano-bridged-heptanuclear-heterometal-complexes-lcuii-6feiii-cn-6-3-and-its-coiii-and-criii-analogues-accompanied-in-the-crystal-by-a-novel-octameric-water-cluster-1006.0389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-missing-high-spin-molecule-in-the-family-of-cyano-bridged-heptanuclear-heterometal-complexes-lcuii-6feiii-cn-6-3-and-its-coiii-and-criii-analogues-accompanied-in-the-crystal-by-a-novel-octameric-water-cluster-1006.0389"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-stress-tensor-of-the-hydrogen-molecular-ion-comparison-between-the-exact-wave-function-and-approximate-wave-functions-using-gaussian-basis-sets-1006.1264</loc><lastmod>2010-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-stress-tensor-of-the-hydrogen-molecular-ion-comparison-between-the-exact-wave-function-and-approximate-wave-functions-using-gaussian-basis-sets-1006.1264"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-stress-tensor-of-the-hydrogen-molecular-ion-comparison-between-the-exact-wave-function-and-approximate-wave-functions-using-gaussian-basis-sets-1006.1264"/></url>
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<url><loc>https://scifaro.com/en/abs/analysis-of-the-quantum-classical-liouville-equation-in-the-mapping-basis-1006.2075</loc><lastmod>2010-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-the-quantum-classical-liouville-equation-in-the-mapping-basis-1006.2075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-the-quantum-classical-liouville-equation-in-the-mapping-basis-1006.2075"/></url>
<url><loc>https://scifaro.com/en/abs/puckering-free-energy-of-pyranoses-an-nmr-and-metadynamics-umbrella-sampling-investigation-1006.2515</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/puckering-free-energy-of-pyranoses-an-nmr-and-metadynamics-umbrella-sampling-investigation-1006.2515"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/puckering-free-energy-of-pyranoses-an-nmr-and-metadynamics-umbrella-sampling-investigation-1006.2515"/></url>
<url><loc>https://scifaro.com/en/abs/physicochemical-perturbations-of-phase-equilibriums-1006.2542</loc><lastmod>2010-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physicochemical-perturbations-of-phase-equilibriums-1006.2542"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physicochemical-perturbations-of-phase-equilibriums-1006.2542"/></url>
<url><loc>https://scifaro.com/en/abs/induced-parameter-dependent-optimization-method-applied-to-reaction-rate-determination-1006.2747</loc><lastmod>2010-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/induced-parameter-dependent-optimization-method-applied-to-reaction-rate-determination-1006.2747"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/induced-parameter-dependent-optimization-method-applied-to-reaction-rate-determination-1006.2747"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-approach-to-noncovalent-interactions-via-interacting-monomer-densities-1006.2878</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-approach-to-noncovalent-interactions-via-interacting-monomer-densities-1006.2878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-approach-to-noncovalent-interactions-via-interacting-monomer-densities-1006.2878"/></url>
<url><loc>https://scifaro.com/en/abs/sub-monolayers-of-carbon-on-alpha-iron-facets-an-ab-initio-study-1006.3187</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sub-monolayers-of-carbon-on-alpha-iron-facets-an-ab-initio-study-1006.3187"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sub-monolayers-of-carbon-on-alpha-iron-facets-an-ab-initio-study-1006.3187"/></url>
<url><loc>https://scifaro.com/en/abs/microwave-lens-for-polar-molecules-1006.3323</loc><lastmod>2010-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microwave-lens-for-polar-molecules-1006.3323"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microwave-lens-for-polar-molecules-1006.3323"/></url>
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<url><loc>https://scifaro.com/en/abs/ab-initio-potential-curves-for-the-x-2-sigma-u-and-b-2-sigma-g-states-of-be-2-existence-of-a-double-minimum-1006.3818</loc><lastmod>2012-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-potential-curves-for-the-x-2-sigma-u-and-b-2-sigma-g-states-of-be-2-existence-of-a-double-minimum-1006.3818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-potential-curves-for-the-x-2-sigma-u-and-b-2-sigma-g-states-of-be-2-existence-of-a-double-minimum-1006.3818"/></url>
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<url><loc>https://scifaro.com/en/abs/soft-capacitor-fibers-using-conductive-polymers-for-electronic-textiles-1006.5221</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/soft-capacitor-fibers-using-conductive-polymers-for-electronic-textiles-1006.5221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/soft-capacitor-fibers-using-conductive-polymers-for-electronic-textiles-1006.5221"/></url>
<url><loc>https://scifaro.com/en/abs/sympathetic-cooling-of-rovibrationally-state-selected-molecular-ions-1006.5642</loc><lastmod>2010-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sympathetic-cooling-of-rovibrationally-state-selected-molecular-ions-1006.5642"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sympathetic-cooling-of-rovibrationally-state-selected-molecular-ions-1006.5642"/></url>
<url><loc>https://scifaro.com/en/abs/models-of-organometallic-complexes-for-optoelectronic-applications-1007.0289</loc><lastmod>2011-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/models-of-organometallic-complexes-for-optoelectronic-applications-1007.0289"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/models-of-organometallic-complexes-for-optoelectronic-applications-1007.0289"/></url>
<url><loc>https://scifaro.com/en/abs/born-oppenheimer-potential-for-h-2-1007.0322</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/born-oppenheimer-potential-for-h-2-1007.0322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/born-oppenheimer-potential-for-h-2-1007.0322"/></url>
<url><loc>https://scifaro.com/en/abs/external-field-control-of-collective-spin-excitations-in-an-optical-lattice-of-2-sigma-molecules-1007.0458</loc><lastmod>2010-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/external-field-control-of-collective-spin-excitations-in-an-optical-lattice-of-2-sigma-molecules-1007.0458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/external-field-control-of-collective-spin-excitations-in-an-optical-lattice-of-2-sigma-molecules-1007.0458"/></url>
<url><loc>https://scifaro.com/en/abs/double-core-hole-electron-spectroscopy-for-open-shell-molecules-theoretical-perspective-1007.0530</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-core-hole-electron-spectroscopy-for-open-shell-molecules-theoretical-perspective-1007.0530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-core-hole-electron-spectroscopy-for-open-shell-molecules-theoretical-perspective-1007.0530"/></url>
<url><loc>https://scifaro.com/en/abs/properties-of-modified-periodic-one-dimensional-hopping-model-1007.0558</loc><lastmod>2010-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/properties-of-modified-periodic-one-dimensional-hopping-model-1007.0558"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/properties-of-modified-periodic-one-dimensional-hopping-model-1007.0558"/></url>
<url><loc>https://scifaro.com/en/abs/cargo-transport-by-several-motors-1007.0559</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cargo-transport-by-several-motors-1007.0559"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cargo-transport-by-several-motors-1007.0559"/></url>
<url><loc>https://scifaro.com/en/abs/detecting-molecules-with-plasmonic-resonators-analytic-expressions-and-bounds-for-the-sensitivity-and-figure-of-merit-1007.0837</loc><lastmod>2010-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detecting-molecules-with-plasmonic-resonators-analytic-expressions-and-bounds-for-the-sensitivity-and-figure-of-merit-1007.0837"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detecting-molecules-with-plasmonic-resonators-analytic-expressions-and-bounds-for-the-sensitivity-and-figure-of-merit-1007.0837"/></url>
<url><loc>https://scifaro.com/en/abs/polynomial-approximations-of-electronic-wave-functions-1007.1736</loc><lastmod>2010-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polynomial-approximations-of-electronic-wave-functions-1007.1736"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polynomial-approximations-of-electronic-wave-functions-1007.1736"/></url>
<url><loc>https://scifaro.com/en/abs/lasercooled-raf-as-a-promising-candidate-to-measure-molecular-parity-violation-1007.1788</loc><lastmod>2011-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lasercooled-raf-as-a-promising-candidate-to-measure-molecular-parity-violation-1007.1788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lasercooled-raf-as-a-promising-candidate-to-measure-molecular-parity-violation-1007.1788"/></url>
<url><loc>https://scifaro.com/en/abs/ionization-of-1d-and-3d-oriented-asymmetric-top-molecules-by-intense-circularly-polarized-femtosecond-laser-pulses-1007.2227</loc><lastmod>2011-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionization-of-1d-and-3d-oriented-asymmetric-top-molecules-by-intense-circularly-polarized-femtosecond-laser-pulses-1007.2227"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionization-of-1d-and-3d-oriented-asymmetric-top-molecules-by-intense-circularly-polarized-femtosecond-laser-pulses-1007.2227"/></url>
<url><loc>https://scifaro.com/en/abs/sub-cycle-strong-field-interferometry-1007.2258</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sub-cycle-strong-field-interferometry-1007.2258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sub-cycle-strong-field-interferometry-1007.2258"/></url>
<url><loc>https://scifaro.com/en/abs/ionization-of-oriented-carbonyl-sulfide-molecules-by-intense-circularly-polarized-laser-pulses-1007.2630</loc><lastmod>2011-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionization-of-oriented-carbonyl-sulfide-molecules-by-intense-circularly-polarized-laser-pulses-1007.2630"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionization-of-oriented-carbonyl-sulfide-molecules-by-intense-circularly-polarized-laser-pulses-1007.2630"/></url>
<url><loc>https://scifaro.com/en/abs/the-method-of-gaussian-weighted-trajectories-v-on-the-1gb-procedure-for-polyatomic-processes-1007.3012</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-method-of-gaussian-weighted-trajectories-v-on-the-1gb-procedure-for-polyatomic-processes-1007.3012"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-method-of-gaussian-weighted-trajectories-v-on-the-1gb-procedure-for-polyatomic-processes-1007.3012"/></url>
<url><loc>https://scifaro.com/en/abs/vacancy-ordering-effects-on-the-conductivity-of-yttria-and-scandia-doped-zirconia-1007.3167</loc><lastmod>2010-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vacancy-ordering-effects-on-the-conductivity-of-yttria-and-scandia-doped-zirconia-1007.3167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vacancy-ordering-effects-on-the-conductivity-of-yttria-and-scandia-doped-zirconia-1007.3167"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-proton-coupled-electron-transfer-reactions-assessing-the-born-oppenheimer-approximation-for-the-proton-motion-using-an-analytically-solvable-model-1007.3806</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-proton-coupled-electron-transfer-reactions-assessing-the-born-oppenheimer-approximation-for-the-proton-motion-using-an-analytically-solvable-model-1007.3806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-proton-coupled-electron-transfer-reactions-assessing-the-born-oppenheimer-approximation-for-the-proton-motion-using-an-analytically-solvable-model-1007.3806"/></url>
<url><loc>https://scifaro.com/en/abs/controlled-formation-of-ultracold-nacs-molecules-by-photoassociation-via-adiabatic-passage-1007.4795</loc><lastmod>2010-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlled-formation-of-ultracold-nacs-molecules-by-photoassociation-via-adiabatic-passage-1007.4795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlled-formation-of-ultracold-nacs-molecules-by-photoassociation-via-adiabatic-passage-1007.4795"/></url>
<url><loc>https://scifaro.com/en/abs/classical-photo-dissociation-dynamics-with-bohr-quantization-1007.5042</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classical-photo-dissociation-dynamics-with-bohr-quantization-1007.5042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classical-photo-dissociation-dynamics-with-bohr-quantization-1007.5042"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-i-water-1007.5144</loc><lastmod>2010-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-i-water-1007.5144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-i-water-1007.5144"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-ii-hydrogen-sulphide-1007.5151</loc><lastmod>2010-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-ii-hydrogen-sulphide-1007.5151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-ii-hydrogen-sulphide-1007.5151"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-iii-ammonia-1007.5155</loc><lastmod>2010-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-iii-ammonia-1007.5155"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-iii-ammonia-1007.5155"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-iv-methane-1007.5167</loc><lastmod>2010-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-iv-methane-1007.5167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-iv-methane-1007.5167"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-v-formic-acid-and-propyl-amine-1007.5169</loc><lastmod>2010-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-v-formic-acid-and-propyl-amine-1007.5169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-polyatomic-molecules-v-formic-acid-and-propyl-amine-1007.5169"/></url>
<url><loc>https://scifaro.com/en/abs/combining-density-functional-theory-and-density-matrix-functional-theory-1008.0880</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-density-functional-theory-and-density-matrix-functional-theory-1008.0880"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-density-functional-theory-and-density-matrix-functional-theory-1008.0880"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-water-modeled-using-ab-initio-simulations-1008.1078</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-water-modeled-using-ab-initio-simulations-1008.1078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-water-modeled-using-ab-initio-simulations-1008.1078"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamically-predicted-oscillations-in-closed-chemical-systems-1008.1100</loc><lastmod>2010-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamically-predicted-oscillations-in-closed-chemical-systems-1008.1100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamically-predicted-oscillations-in-closed-chemical-systems-1008.1100"/></url>
<url><loc>https://scifaro.com/en/abs/synergistic-nanophotonics-of-fullerene-1008.1690</loc><lastmod>2010-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synergistic-nanophotonics-of-fullerene-1008.1690"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synergistic-nanophotonics-of-fullerene-1008.1690"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-energy-transfer-in-light-harvesting-systems-i-optimal-temperature-reorganization-energy-and-spatial-temporal-correlations-1008.2236</loc><lastmod>2011-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-energy-transfer-in-light-harvesting-systems-i-optimal-temperature-reorganization-energy-and-spatial-temporal-correlations-1008.2236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-energy-transfer-in-light-harvesting-systems-i-optimal-temperature-reorganization-energy-and-spatial-temporal-correlations-1008.2236"/></url>
<url><loc>https://scifaro.com/en/abs/a-tale-of-two-electrons-correlation-at-high-density-1008.2252</loc><lastmod>2011-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-tale-of-two-electrons-correlation-at-high-density-1008.2252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-tale-of-two-electrons-correlation-at-high-density-1008.2252"/></url>
<url><loc>https://scifaro.com/en/abs/heavy-atom-quantum-diffraction-by-scattering-from-surfaces-1008.2546</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heavy-atom-quantum-diffraction-by-scattering-from-surfaces-1008.2546"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heavy-atom-quantum-diffraction-by-scattering-from-surfaces-1008.2546"/></url>
<url><loc>https://scifaro.com/en/abs/the-michaelis-menten-stueckelberg-theorem-1008.3296</loc><lastmod>2014-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-michaelis-menten-stueckelberg-theorem-1008.3296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-michaelis-menten-stueckelberg-theorem-1008.3296"/></url>
<url><loc>https://scifaro.com/en/abs/spectral-properties-of-molecular-oligomers-a-non-markovian-quantum-state-diffusion-approach-1008.3611</loc><lastmod>2011-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectral-properties-of-molecular-oligomers-a-non-markovian-quantum-state-diffusion-approach-1008.3611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectral-properties-of-molecular-oligomers-a-non-markovian-quantum-state-diffusion-approach-1008.3611"/></url>
<url><loc>https://scifaro.com/en/abs/the-j-and-h-bands-of-dye-aggregate-spectra-analysis-of-the-coherent-exciton-scattering-ces-approximation-1008.3623</loc><lastmod>2010-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-j-and-h-bands-of-dye-aggregate-spectra-analysis-of-the-coherent-exciton-scattering-ces-approximation-1008.3623"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-j-and-h-bands-of-dye-aggregate-spectra-analysis-of-the-coherent-exciton-scattering-ces-approximation-1008.3623"/></url>
<url><loc>https://scifaro.com/en/abs/centre-of-mass-separation-in-quantum-mechanics-implications-for-the-many-body-treatment-in-quantum-chemistry-and-solid-state-physics-1008.3968</loc><lastmod>2012-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/centre-of-mass-separation-in-quantum-mechanics-implications-for-the-many-body-treatment-in-quantum-chemistry-and-solid-state-physics-1008.3968"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/centre-of-mass-separation-in-quantum-mechanics-implications-for-the-many-body-treatment-in-quantum-chemistry-and-solid-state-physics-1008.3968"/></url>
<url><loc>https://scifaro.com/en/abs/electron-spin-lattice-relaxation-in-solid-ethanol-the-effect-of-nitroxyl-radical-hydrogen-bonding-and-matrix-disorder-1008.4031</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-spin-lattice-relaxation-in-solid-ethanol-the-effect-of-nitroxyl-radical-hydrogen-bonding-and-matrix-disorder-1008.4031"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-spin-lattice-relaxation-in-solid-ethanol-the-effect-of-nitroxyl-radical-hydrogen-bonding-and-matrix-disorder-1008.4031"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-w4-theory-for-spectroscopic-constants-and-electrical-properties-of-small-molecules-1008.4163</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-w4-theory-for-spectroscopic-constants-and-electrical-properties-of-small-molecules-1008.4163"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-w4-theory-for-spectroscopic-constants-and-electrical-properties-of-small-molecules-1008.4163"/></url>
<url><loc>https://scifaro.com/en/abs/gas-temperature-dependent-sticking-of-hydrogen-on-cold-amorphous-water-ice-surfaces-of-interstellar-interest-1008.4407</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gas-temperature-dependent-sticking-of-hydrogen-on-cold-amorphous-water-ice-surfaces-of-interstellar-interest-1008.4407"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gas-temperature-dependent-sticking-of-hydrogen-on-cold-amorphous-water-ice-surfaces-of-interstellar-interest-1008.4407"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-ftir-spectra-of-mineral-waters-after-contact-with-air-1008.4824</loc><lastmod>2010-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-ftir-spectra-of-mineral-waters-after-contact-with-air-1008.4824"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-ftir-spectra-of-mineral-waters-after-contact-with-air-1008.4824"/></url>
<url><loc>https://scifaro.com/en/abs/bond-alternation-polarizability-and-resonance-detuning-in-methine-dyes-1008.4982</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bond-alternation-polarizability-and-resonance-detuning-in-methine-dyes-1008.4982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bond-alternation-polarizability-and-resonance-detuning-in-methine-dyes-1008.4982"/></url>
<url><loc>https://scifaro.com/en/abs/cold-heteromolecular-dipolar-collisions-1008.5127</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-heteromolecular-dipolar-collisions-1008.5127"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-heteromolecular-dipolar-collisions-1008.5127"/></url>
<url><loc>https://scifaro.com/en/abs/composite-materials-with-uncured-epoxy-matrix-exposed-in-stratosphere-during-nasa-stratospheric-balloon-flight-1008.5236</loc><lastmod>2010-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/composite-materials-with-uncured-epoxy-matrix-exposed-in-stratosphere-during-nasa-stratospheric-balloon-flight-1008.5236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/composite-materials-with-uncured-epoxy-matrix-exposed-in-stratosphere-during-nasa-stratospheric-balloon-flight-1008.5236"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-relationship-between-parametric-two-electron-reduced-density-matrix-methods-and-the-coupled-electron-pair-approximation-1009.0047</loc><lastmod>2010-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-relationship-between-parametric-two-electron-reduced-density-matrix-methods-and-the-coupled-electron-pair-approximation-1009.0047"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-relationship-between-parametric-two-electron-reduced-density-matrix-methods-and-the-coupled-electron-pair-approximation-1009.0047"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-of-sugar-and-fixation-of-co2-through-artificial-photosynthesis-driving-by-hydrogen-or-electricity-1009.0310</loc><lastmod>2010-09-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-of-sugar-and-fixation-of-co2-through-artificial-photosynthesis-driving-by-hydrogen-or-electricity-1009.0310"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-of-sugar-and-fixation-of-co2-through-artificial-photosynthesis-driving-by-hydrogen-or-electricity-1009.0310"/></url>
<url><loc>https://scifaro.com/en/abs/independent-components-in-spectroscopic-analysis-of-complex-mixtures-1009.0534</loc><lastmod>2010-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/independent-components-in-spectroscopic-analysis-of-complex-mixtures-1009.0534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/independent-components-in-spectroscopic-analysis-of-complex-mixtures-1009.0534"/></url>
<url><loc>https://scifaro.com/en/abs/state-and-conformer-selected-beams-of-aligned-and-oriented-molecules-for-ultrafast-diffraction-studies-1009.0871</loc><lastmod>2011-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-and-conformer-selected-beams-of-aligned-and-oriented-molecules-for-ultrafast-diffraction-studies-1009.0871"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-and-conformer-selected-beams-of-aligned-and-oriented-molecules-for-ultrafast-diffraction-studies-1009.0871"/></url>
<url><loc>https://scifaro.com/en/abs/cold-collisions-of-n-atoms-and-nh-molecules-in-magnetic-fields-1009.1322</loc><lastmod>2011-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-collisions-of-n-atoms-and-nh-molecules-in-magnetic-fields-1009.1322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-collisions-of-n-atoms-and-nh-molecules-in-magnetic-fields-1009.1322"/></url>
<url><loc>https://scifaro.com/en/abs/nonlocal-van-der-waals-density-functional-the-simpler-the-better-1009.1421</loc><lastmod>2010-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlocal-van-der-waals-density-functional-the-simpler-the-better-1009.1421"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlocal-van-der-waals-density-functional-the-simpler-the-better-1009.1421"/></url>
<url><loc>https://scifaro.com/en/abs/the-hf-v-3-forward-scattering-peak-of-the-f-h2-reaction-revisited-1009.1578</loc><lastmod>2010-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-hf-v-3-forward-scattering-peak-of-the-f-h2-reaction-revisited-1009.1578"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-hf-v-3-forward-scattering-peak-of-the-f-h2-reaction-revisited-1009.1578"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-computation-of-the-broadening-of-water-rotational-lines-by-molecular-hydrogen-1009.1699</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-computation-of-the-broadening-of-water-rotational-lines-by-molecular-hydrogen-1009.1699"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-computation-of-the-broadening-of-water-rotational-lines-by-molecular-hydrogen-1009.1699"/></url>
<url><loc>https://scifaro.com/en/abs/identification-and-characterization-of-chemistry-of-different-radicals-in-mainstream-gas-phase-cigarette-smoke-by-esi-ms-method-1009.2291</loc><lastmod>2011-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-and-characterization-of-chemistry-of-different-radicals-in-mainstream-gas-phase-cigarette-smoke-by-esi-ms-method-1009.2291"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-and-characterization-of-chemistry-of-different-radicals-in-mainstream-gas-phase-cigarette-smoke-by-esi-ms-method-1009.2291"/></url>
<url><loc>https://scifaro.com/en/abs/generalizations-of-the-fuoss-approximation-for-ion-pairing-1009.2526</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalizations-of-the-fuoss-approximation-for-ion-pairing-1009.2526"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalizations-of-the-fuoss-approximation-for-ion-pairing-1009.2526"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-ionization-bursts-in-laser-driven-hydrogen-molecular-ion-1009.2868</loc><lastmod>2010-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-ionization-bursts-in-laser-driven-hydrogen-molecular-ion-1009.2868"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-ionization-bursts-in-laser-driven-hydrogen-molecular-ion-1009.2868"/></url>
<url><loc>https://scifaro.com/en/abs/interaction-between-lih-molecule-and-li-atom-from-state-of-the-art-electronic-structure-calculations-1009.4312</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interaction-between-lih-molecule-and-li-atom-from-state-of-the-art-electronic-structure-calculations-1009.4312"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interaction-between-lih-molecule-and-li-atom-from-state-of-the-art-electronic-structure-calculations-1009.4312"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-packets-of-neutral-molecules-revolving-for-over-a-mile-1009.4560</loc><lastmod>2010-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-packets-of-neutral-molecules-revolving-for-over-a-mile-1009.4560"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-packets-of-neutral-molecules-revolving-for-over-a-mile-1009.4560"/></url>
<url><loc>https://scifaro.com/en/abs/the-flux-flux-correlation-function-for-anharmonic-barriers-1009.4872</loc><lastmod>2011-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-flux-flux-correlation-function-for-anharmonic-barriers-1009.4872"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-flux-flux-correlation-function-for-anharmonic-barriers-1009.4872"/></url>
<url><loc>https://scifaro.com/en/abs/co-adsorption-on-neutral-iridium-clusters-1009.5278</loc><lastmod>2011-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/co-adsorption-on-neutral-iridium-clusters-1009.5278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/co-adsorption-on-neutral-iridium-clusters-1009.5278"/></url>
<url><loc>https://scifaro.com/en/abs/local-softness-softness-dipole-and-polarizabilities-of-functional-groups-application-to-the-side-chains-of-the-twenty-amino-acids-1009.5541</loc><lastmod>2010-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-softness-softness-dipole-and-polarizabilities-of-functional-groups-application-to-the-side-chains-of-the-twenty-amino-acids-1009.5541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-softness-softness-dipole-and-polarizabilities-of-functional-groups-application-to-the-side-chains-of-the-twenty-amino-acids-1009.5541"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-interaction-energies-at-dft-level-by-means-of-an-efficient-dispersion-correction-1009.5631</loc><lastmod>2010-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-interaction-energies-at-dft-level-by-means-of-an-efficient-dispersion-correction-1009.5631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-interaction-energies-at-dft-level-by-means-of-an-efficient-dispersion-correction-1009.5631"/></url>
<url><loc>https://scifaro.com/en/abs/towards-an-exact-orbital-free-single-particle-kinetic-energy-density-for-the-inhomogeneous-electron-liquid-in-the-be-atom-1009.5943</loc><lastmod>2010-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-an-exact-orbital-free-single-particle-kinetic-energy-density-for-the-inhomogeneous-electron-liquid-in-the-be-atom-1009.5943"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-an-exact-orbital-free-single-particle-kinetic-energy-density-for-the-inhomogeneous-electron-liquid-in-the-be-atom-1009.5943"/></url>
<url><loc>https://scifaro.com/en/abs/scattering-and-recombination-of-two-triplet-excitons-in-polymer-light-emitting-diodes-1010.0467</loc><lastmod>2010-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scattering-and-recombination-of-two-triplet-excitons-in-polymer-light-emitting-diodes-1010.0467"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scattering-and-recombination-of-two-triplet-excitons-in-polymer-light-emitting-diodes-1010.0467"/></url>
<url><loc>https://scifaro.com/en/abs/carbon-nanotube-with-square-cross-section-an-ab-initio-investigation-1010.0699</loc><lastmod>2010-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/carbon-nanotube-with-square-cross-section-an-ab-initio-investigation-1010.0699"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/carbon-nanotube-with-square-cross-section-an-ab-initio-investigation-1010.0699"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-frisbee-motion-of-spinning-molecules-in-inhomogeneous-fields-1010.0887</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-frisbee-motion-of-spinning-molecules-in-inhomogeneous-fields-1010.0887"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-frisbee-motion-of-spinning-molecules-in-inhomogeneous-fields-1010.0887"/></url>
<url><loc>https://scifaro.com/en/abs/photostimulated-aggregation-of-metal-aerosols-1010.1093</loc><lastmod>2010-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photostimulated-aggregation-of-metal-aerosols-1010.1093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photostimulated-aggregation-of-metal-aerosols-1010.1093"/></url>
<url><loc>https://scifaro.com/en/abs/structure-and-binding-in-crystals-of-cage-like-molecules-hexamine-and-platonic-hydrocarbons-1010.1487</loc><lastmod>2010-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-and-binding-in-crystals-of-cage-like-molecules-hexamine-and-platonic-hydrocarbons-1010.1487"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-and-binding-in-crystals-of-cage-like-molecules-hexamine-and-platonic-hydrocarbons-1010.1487"/></url>
<url><loc>https://scifaro.com/en/abs/spontaneous-symmetry-breaking-by-double-lithium-adsorption-in-polyacenes-1010.1492</loc><lastmod>2016-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spontaneous-symmetry-breaking-by-double-lithium-adsorption-in-polyacenes-1010.1492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spontaneous-symmetry-breaking-by-double-lithium-adsorption-in-polyacenes-1010.1492"/></url>
<url><loc>https://scifaro.com/en/abs/reaching-the-cold-regime-s-1d-h-2-and-the-role-of-long-range-interactions-in-open-shell-reactive-collisions-1010.1736</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaching-the-cold-regime-s-1d-h-2-and-the-role-of-long-range-interactions-in-open-shell-reactive-collisions-1010.1736"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaching-the-cold-regime-s-1d-h-2-and-the-role-of-long-range-interactions-in-open-shell-reactive-collisions-1010.1736"/></url>
<url><loc>https://scifaro.com/en/abs/direct-observation-of-a-hydrophobic-bond-in-loop-closure-of-a-capped-och2ch2-n-oligomer-in-water-1010.1958</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-observation-of-a-hydrophobic-bond-in-loop-closure-of-a-capped-och2ch2-n-oligomer-in-water-1010.1958"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-observation-of-a-hydrophobic-bond-in-loop-closure-of-a-capped-och2ch2-n-oligomer-in-water-1010.1958"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-and-dynamics-of-the-s-1d-2-h-2-to-sh-h-reaction-at-very-low-temperatures-and-collision-energies-1010.2121</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-and-dynamics-of-the-s-1d-2-h-2-to-sh-h-reaction-at-very-low-temperatures-and-collision-energies-1010.2121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-and-dynamics-of-the-s-1d-2-h-2-to-sh-h-reaction-at-very-low-temperatures-and-collision-energies-1010.2121"/></url>
<url><loc>https://scifaro.com/en/abs/variational-principles-in-chemical-equilibria-complex-chemical-systems-with-interacting-subsystems-1010.3038</loc><lastmod>2010-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-principles-in-chemical-equilibria-complex-chemical-systems-with-interacting-subsystems-1010.3038"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-principles-in-chemical-equilibria-complex-chemical-systems-with-interacting-subsystems-1010.3038"/></url>
<url><loc>https://scifaro.com/en/abs/reflexion-m-ossbauer-analysis-of-the-in-situ-oxidation-products-hydroxycarbonate-green-rust-1010.3852</loc><lastmod>2010-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reflexion-m-ossbauer-analysis-of-the-in-situ-oxidation-products-hydroxycarbonate-green-rust-1010.3852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reflexion-m-ossbauer-analysis-of-the-in-situ-oxidation-products-hydroxycarbonate-green-rust-1010.3852"/></url>
<url><loc>https://scifaro.com/en/abs/dielectric-spectroscopy-of-water-at-low-frequencies-the-existence-of-an-isopermitive-point-1010.4089</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dielectric-spectroscopy-of-water-at-low-frequencies-the-existence-of-an-isopermitive-point-1010.4089"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dielectric-spectroscopy-of-water-at-low-frequencies-the-existence-of-an-isopermitive-point-1010.4089"/></url>
<url><loc>https://scifaro.com/en/abs/brownian-motion-from-molecular-dynamics-1010.4100</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/brownian-motion-from-molecular-dynamics-1010.4100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/brownian-motion-from-molecular-dynamics-1010.4100"/></url>
<url><loc>https://scifaro.com/en/abs/electric-deflection-of-rotating-molecules-1010.4232</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electric-deflection-of-rotating-molecules-1010.4232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electric-deflection-of-rotating-molecules-1010.4232"/></url>
<url><loc>https://scifaro.com/en/abs/maximizing-the-hyperpolarizability-poorly-determines-the-potential-1010.4919</loc><lastmod>2015-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/maximizing-the-hyperpolarizability-poorly-determines-the-potential-1010.4919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/maximizing-the-hyperpolarizability-poorly-determines-the-potential-1010.4919"/></url>
<url><loc>https://scifaro.com/en/abs/imaginary-time-gaussian-dynamics-of-the-ar-3-cluster-1010.4936</loc><lastmod>2011-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaginary-time-gaussian-dynamics-of-the-ar-3-cluster-1010.4936"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaginary-time-gaussian-dynamics-of-the-ar-3-cluster-1010.4936"/></url>
<url><loc>https://scifaro.com/en/abs/graphene-to-graphane-novel-electrochemical-conversion-1010.5458</loc><lastmod>2010-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graphene-to-graphane-novel-electrochemical-conversion-1010.5458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graphene-to-graphane-novel-electrochemical-conversion-1010.5458"/></url>
<url><loc>https://scifaro.com/en/abs/laser-control-of-double-proton-transfer-in-porphycenes-towards-an-ultrafast-switch-for-photonic-molecular-wires-1010.5598</loc><lastmod>2010-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-control-of-double-proton-transfer-in-porphycenes-towards-an-ultrafast-switch-for-photonic-molecular-wires-1010.5598"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-control-of-double-proton-transfer-in-porphycenes-towards-an-ultrafast-switch-for-photonic-molecular-wires-1010.5598"/></url>
<url><loc>https://scifaro.com/en/abs/semi-empirical-correction-of-ab-initio-harmonic-properties-by-scaling-factors-a-validated-uncertainty-model-for-calibration-and-prediction-1010.5669</loc><lastmod>2016-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semi-empirical-correction-of-ab-initio-harmonic-properties-by-scaling-factors-a-validated-uncertainty-model-for-calibration-and-prediction-1010.5669"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semi-empirical-correction-of-ab-initio-harmonic-properties-by-scaling-factors-a-validated-uncertainty-model-for-calibration-and-prediction-1010.5669"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-method-for-parameterizing-the-random-profile-components-of-nanosurfaces-imaged-by-atomic-force-microscopy-1010.6232</loc><lastmod>2017-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-method-for-parameterizing-the-random-profile-components-of-nanosurfaces-imaged-by-atomic-force-microscopy-1010.6232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-method-for-parameterizing-the-random-profile-components-of-nanosurfaces-imaged-by-atomic-force-microscopy-1010.6232"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-conductivity-switching-upon-action-of-monoaxial-pressure-on-plasticized-pvc-films-1010.6241</loc><lastmod>2010-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-conductivity-switching-upon-action-of-monoaxial-pressure-on-plasticized-pvc-films-1010.6241"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-conductivity-switching-upon-action-of-monoaxial-pressure-on-plasticized-pvc-films-1010.6241"/></url>
<url><loc>https://scifaro.com/en/abs/unified-treatment-of-complex-and-real-rotation-angular-functions-for-two-center-overlap-integrals-over-arbitrary-atomic-orbitals-1011.0617</loc><lastmod>2013-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unified-treatment-of-complex-and-real-rotation-angular-functions-for-two-center-overlap-integrals-over-arbitrary-atomic-orbitals-1011.0617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unified-treatment-of-complex-and-real-rotation-angular-functions-for-two-center-overlap-integrals-over-arbitrary-atomic-orbitals-1011.0617"/></url>
<url><loc>https://scifaro.com/en/abs/method-for-creating-and-detecting-hydrogen-sorption-sites-using-gamma-radiation-1011.0701</loc><lastmod>2010-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/method-for-creating-and-detecting-hydrogen-sorption-sites-using-gamma-radiation-1011.0701"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/method-for-creating-and-detecting-hydrogen-sorption-sites-using-gamma-radiation-1011.0701"/></url>
<url><loc>https://scifaro.com/en/abs/phase-space-barriers-and-dividing-surfaces-in-the-absence-of-critical-points-of-the-potential-energy-1011.0913</loc><lastmod>2010-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-space-barriers-and-dividing-surfaces-in-the-absence-of-critical-points-of-the-potential-energy-1011.0913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-space-barriers-and-dividing-surfaces-in-the-absence-of-critical-points-of-the-potential-energy-1011.0913"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-response-calculations-with-an-independent-particle-system-with-an-exact-one-particle-density-matrix-1011.1482</loc><lastmod>2010-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-response-calculations-with-an-independent-particle-system-with-an-exact-one-particle-density-matrix-1011.1482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-response-calculations-with-an-independent-particle-system-with-an-exact-one-particle-density-matrix-1011.1482"/></url>
<url><loc>https://scifaro.com/en/abs/revised-born-oppenheimer-approach-and-a-multielectron-reprojection-method-for-inelastic-collisions-1011.1583</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revised-born-oppenheimer-approach-and-a-multielectron-reprojection-method-for-inelastic-collisions-1011.1583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revised-born-oppenheimer-approach-and-a-multielectron-reprojection-method-for-inelastic-collisions-1011.1583"/></url>
<url><loc>https://scifaro.com/en/abs/van-t-hoff-arrhenius-analysis-of-mesoscopic-and-macroscopic-dynamics-of-simple-biochemical-systems-stochastic-vs-nonlinear-bistabilities-1011.2554</loc><lastmod>2010-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/van-t-hoff-arrhenius-analysis-of-mesoscopic-and-macroscopic-dynamics-of-simple-biochemical-systems-stochastic-vs-nonlinear-bistabilities-1011.2554"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/van-t-hoff-arrhenius-analysis-of-mesoscopic-and-macroscopic-dynamics-of-simple-biochemical-systems-stochastic-vs-nonlinear-bistabilities-1011.2554"/></url>
<url><loc>https://scifaro.com/en/abs/new-sets-of-experimental-wavenumber-values-for-triplet-triplet-rovibronic-transitions-of-h-2-and-d-2-1011.2917</loc><lastmod>2010-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-sets-of-experimental-wavenumber-values-for-triplet-triplet-rovibronic-transitions-of-h-2-and-d-2-1011.2917"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-sets-of-experimental-wavenumber-values-for-triplet-triplet-rovibronic-transitions-of-h-2-and-d-2-1011.2917"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-characterization-and-modeling-of-naphthyl-terminated-sp-carbon-chains-dinaphthylpolyynes-1011.3657</loc><lastmod>2012-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-characterization-and-modeling-of-naphthyl-terminated-sp-carbon-chains-dinaphthylpolyynes-1011.3657"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-characterization-and-modeling-of-naphthyl-terminated-sp-carbon-chains-dinaphthylpolyynes-1011.3657"/></url>
<url><loc>https://scifaro.com/en/abs/go-and-back-method-effective-estimation-of-the-hidden-motion-of-proteins-from-single-molecule-time-series-1011.4222</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/go-and-back-method-effective-estimation-of-the-hidden-motion-of-proteins-from-single-molecule-time-series-1011.4222"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/go-and-back-method-effective-estimation-of-the-hidden-motion-of-proteins-from-single-molecule-time-series-1011.4222"/></url>
<url><loc>https://scifaro.com/en/abs/fractional-occupation-in-kohn-sham-density-functional-theory-and-the-treatment-of-non-pure-state-v-representable-densities-1011.4564</loc><lastmod>2010-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fractional-occupation-in-kohn-sham-density-functional-theory-and-the-treatment-of-non-pure-state-v-representable-densities-1011.4564"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fractional-occupation-in-kohn-sham-density-functional-theory-and-the-treatment-of-non-pure-state-v-representable-densities-1011.4564"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-relation-between-the-microscopic-structure-and-the-sound-velocity-anomaly-in-elemental-melts-of-groups-iv-v-vi-1011.4565</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-relation-between-the-microscopic-structure-and-the-sound-velocity-anomaly-in-elemental-melts-of-groups-iv-v-vi-1011.4565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-relation-between-the-microscopic-structure-and-the-sound-velocity-anomaly-in-elemental-melts-of-groups-iv-v-vi-1011.4565"/></url>
<url><loc>https://scifaro.com/en/abs/ensemble-v-representable-ab-initio-density-functional-calculation-of-energy-and-spin-in-atoms-atest-of-exchange-correlation-approximations-1011.4567</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ensemble-v-representable-ab-initio-density-functional-calculation-of-energy-and-spin-in-atoms-atest-of-exchange-correlation-approximations-1011.4567"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ensemble-v-representable-ab-initio-density-functional-calculation-of-energy-and-spin-in-atoms-atest-of-exchange-correlation-approximations-1011.4567"/></url>
<url><loc>https://scifaro.com/en/abs/ionic-liquid-like-local-structure-in-lino-3-ca-no-3-2-h-2o-as-studied-by-ion-and-solvent-nuclei-nmr-relaxation-1011.4594</loc><lastmod>2010-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionic-liquid-like-local-structure-in-lino-3-ca-no-3-2-h-2o-as-studied-by-ion-and-solvent-nuclei-nmr-relaxation-1011.4594"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionic-liquid-like-local-structure-in-lino-3-ca-no-3-2-h-2o-as-studied-by-ion-and-solvent-nuclei-nmr-relaxation-1011.4594"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-on-phase-space-1011.4741</loc><lastmod>2019-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-on-phase-space-1011.4741"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-on-phase-space-1011.4741"/></url>
<url><loc>https://scifaro.com/en/abs/exact-phase-space-functional-for-two-body-systems-1011.4742</loc><lastmod>2010-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-phase-space-functional-for-two-body-systems-1011.4742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-phase-space-functional-for-two-body-systems-1011.4742"/></url>
<url><loc>https://scifaro.com/en/abs/radiation-generated-by-charge-migration-following-ionization-1011.5150</loc><lastmod>2011-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/radiation-generated-by-charge-migration-following-ionization-1011.5150"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/radiation-generated-by-charge-migration-following-ionization-1011.5150"/></url>
<url><loc>https://scifaro.com/en/abs/the-hydrodynamic-solution-for-flow-profiles-in-a-binary-strong-electrolyte-solution-under-an-external-electric-field-1011.5430</loc><lastmod>2010-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-hydrodynamic-solution-for-flow-profiles-in-a-binary-strong-electrolyte-solution-under-an-external-electric-field-1011.5430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-hydrodynamic-solution-for-flow-profiles-in-a-binary-strong-electrolyte-solution-under-an-external-electric-field-1011.5430"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-probe-and-design-for-a-chemical-compass-with-magnetic-nanostructures-1011.5495</loc><lastmod>2015-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-probe-and-design-for-a-chemical-compass-with-magnetic-nanostructures-1011.5495"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-probe-and-design-for-a-chemical-compass-with-magnetic-nanostructures-1011.5495"/></url>
<url><loc>https://scifaro.com/en/abs/design-and-application-of-robust-rf-pulses-for-toroid-cavity-nmr-spectroscopy-1011.6258</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/design-and-application-of-robust-rf-pulses-for-toroid-cavity-nmr-spectroscopy-1011.6258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/design-and-application-of-robust-rf-pulses-for-toroid-cavity-nmr-spectroscopy-1011.6258"/></url>
<url><loc>https://scifaro.com/en/abs/diagonalization-free-implementation-of-spin-relaxation-theory-for-large-spin-systems-1012.0033</loc><lastmod>2014-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diagonalization-free-implementation-of-spin-relaxation-theory-for-large-spin-systems-1012.0033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diagonalization-free-implementation-of-spin-relaxation-theory-for-large-spin-systems-1012.0033"/></url>
<url><loc>https://scifaro.com/en/abs/cold-and-ultracold-nh-nh-collisions-the-field-free-case-1012.0804</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-and-ultracold-nh-nh-collisions-the-field-free-case-1012.0804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-and-ultracold-nh-nh-collisions-the-field-free-case-1012.0804"/></url>
<url><loc>https://scifaro.com/en/abs/resonant-structure-of-low-energy-h3-dissociative-recombination-1012.1441</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resonant-structure-of-low-energy-h3-dissociative-recombination-1012.1441"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resonant-structure-of-low-energy-h3-dissociative-recombination-1012.1441"/></url>
<url><loc>https://scifaro.com/en/abs/visualization-and-interpretation-of-attosecond-electron-dynamics-in-laser-driven-hydrogen-molecular-ion-using-bohmian-trajectories-1012.1967</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visualization-and-interpretation-of-attosecond-electron-dynamics-in-laser-driven-hydrogen-molecular-ion-using-bohmian-trajectories-1012.1967"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visualization-and-interpretation-of-attosecond-electron-dynamics-in-laser-driven-hydrogen-molecular-ion-using-bohmian-trajectories-1012.1967"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-interactions-between-an-atom-in-its-ground-s-state-and-an-open-shell-linear-molecule-1012.2702</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-interactions-between-an-atom-in-its-ground-s-state-and-an-open-shell-linear-molecule-1012.2702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-interactions-between-an-atom-in-its-ground-s-state-and-an-open-shell-linear-molecule-1012.2702"/></url>
<url><loc>https://scifaro.com/en/abs/cold-and-ultracold-nh-nh-collisions-in-magnetic-fields-1012.2814</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-and-ultracold-nh-nh-collisions-in-magnetic-fields-1012.2814"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-and-ultracold-nh-nh-collisions-in-magnetic-fields-1012.2814"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-charging-method-for-li-ion-batteries-dependence-of-the-charging-time-on-the-direction-of-an-additional-oscillating-field-1012.2894</loc><lastmod>2011-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-charging-method-for-li-ion-batteries-dependence-of-the-charging-time-on-the-direction-of-an-additional-oscillating-field-1012.2894"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-charging-method-for-li-ion-batteries-dependence-of-the-charging-time-on-the-direction-of-an-additional-oscillating-field-1012.2894"/></url>
<url><loc>https://scifaro.com/en/abs/magnetic-circular-dichroism-in-real-time-time-dependent-density-functional-theory-1012.4129</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetic-circular-dichroism-in-real-time-time-dependent-density-functional-theory-1012.4129"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetic-circular-dichroism-in-real-time-time-dependent-density-functional-theory-1012.4129"/></url>
<url><loc>https://scifaro.com/en/abs/optoelectronic-and-excitonic-properties-of-oligoacenes-substantial-improvements-from-range-separated-time-dependent-density-functional-theory-1012.4451</loc><lastmod>2010-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optoelectronic-and-excitonic-properties-of-oligoacenes-substantial-improvements-from-range-separated-time-dependent-density-functional-theory-1012.4451"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optoelectronic-and-excitonic-properties-of-oligoacenes-substantial-improvements-from-range-separated-time-dependent-density-functional-theory-1012.4451"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-quadrupole-hyperfine-structure-in-hc14n-h14nc-and-dc15n-d15nc-isomerization-a-diagnostic-tool-for-characterizing-vibrational-localization-1012.4522</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-quadrupole-hyperfine-structure-in-hc14n-h14nc-and-dc15n-d15nc-isomerization-a-diagnostic-tool-for-characterizing-vibrational-localization-1012.4522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-quadrupole-hyperfine-structure-in-hc14n-h14nc-and-dc15n-d15nc-isomerization-a-diagnostic-tool-for-characterizing-vibrational-localization-1012.4522"/></url>
<url><loc>https://scifaro.com/en/abs/multilayer-multi-configuration-time-dependent-hartree-method-implementation-and-applications-to-a-henon-heiles-hamiltonian-and-to-pyrazine-1012.4625</loc><lastmod>2011-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multilayer-multi-configuration-time-dependent-hartree-method-implementation-and-applications-to-a-henon-heiles-hamiltonian-and-to-pyrazine-1012.4625"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multilayer-multi-configuration-time-dependent-hartree-method-implementation-and-applications-to-a-henon-heiles-hamiltonian-and-to-pyrazine-1012.4625"/></url>
<url><loc>https://scifaro.com/en/abs/hazards-induced-by-breach-of-liquid-rocket-fuel-tanks-conditions-and-risks-of-cryogenic-liquid-hydrogen-oxygen-mixture-explosions-1012.5135</loc><lastmod>2010-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hazards-induced-by-breach-of-liquid-rocket-fuel-tanks-conditions-and-risks-of-cryogenic-liquid-hydrogen-oxygen-mixture-explosions-1012.5135"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hazards-induced-by-breach-of-liquid-rocket-fuel-tanks-conditions-and-risks-of-cryogenic-liquid-hydrogen-oxygen-mixture-explosions-1012.5135"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-calculations-of-electronic-excitation-energies-the-case-of-the-singlet-n-to-pi-co-transition-in-acrolein-1012.5279</loc><lastmod>2010-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-calculations-of-electronic-excitation-energies-the-case-of-the-singlet-n-to-pi-co-transition-in-acrolein-1012.5279"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-calculations-of-electronic-excitation-energies-the-case-of-the-singlet-n-to-pi-co-transition-in-acrolein-1012.5279"/></url>
<url><loc>https://scifaro.com/en/abs/the-multi-state-caspt2-spin-orbit-method-1012.5572</loc><lastmod>2010-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-multi-state-caspt2-spin-orbit-method-1012.5572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-multi-state-caspt2-spin-orbit-method-1012.5572"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-chemical-reactors-i-quiescent-reactors-1012.5682</loc><lastmod>2010-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-chemical-reactors-i-quiescent-reactors-1012.5682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-chemical-reactors-i-quiescent-reactors-1012.5682"/></url>
<url><loc>https://scifaro.com/en/abs/double-hybrid-density-functional-theory-made-rigorous-1012.5823</loc><lastmod>2011-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-hybrid-density-functional-theory-made-rigorous-1012.5823"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-hybrid-density-functional-theory-made-rigorous-1012.5823"/></url>
<url><loc>https://scifaro.com/en/abs/benchmarking-of-the-construct-of-dimensionless-correlations-regarding-batch-bubble-columns-with-suspended-solids-performance-of-the-pressure-transform-approach-1012.6004</loc><lastmod>2010-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-of-the-construct-of-dimensionless-correlations-regarding-batch-bubble-columns-with-suspended-solids-performance-of-the-pressure-transform-approach-1012.6004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-of-the-construct-of-dimensionless-correlations-regarding-batch-bubble-columns-with-suspended-solids-performance-of-the-pressure-transform-approach-1012.6004"/></url>
<url><loc>https://scifaro.com/en/abs/modified-scaled-hierarchical-equation-of-motion-approach-for-the-study-of-quantum-coherence-in-photosynthetic-complexes-1101.0010</loc><lastmod>2011-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modified-scaled-hierarchical-equation-of-motion-approach-for-the-study-of-quantum-coherence-in-photosynthetic-complexes-1101.0010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modified-scaled-hierarchical-equation-of-motion-approach-for-the-study-of-quantum-coherence-in-photosynthetic-complexes-1101.0010"/></url>
<url><loc>https://scifaro.com/en/abs/construction-of-casci-type-wave-functions-for-very-large-active-spaces-1101.0528</loc><lastmod>2011-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/construction-of-casci-type-wave-functions-for-very-large-active-spaces-1101.0528"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/construction-of-casci-type-wave-functions-for-very-large-active-spaces-1101.0528"/></url>
<url><loc>https://scifaro.com/en/abs/biodegradable-drug-eluting-coating-of-cardiovascular-stents-dewets-and-can-cause-thrombosis-1101.0659</loc><lastmod>2011-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/biodegradable-drug-eluting-coating-of-cardiovascular-stents-dewets-and-can-cause-thrombosis-1101.0659"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/biodegradable-drug-eluting-coating-of-cardiovascular-stents-dewets-and-can-cause-thrombosis-1101.0659"/></url>
<url><loc>https://scifaro.com/en/abs/blowdown-of-hydrocarbons-pressure-vessel-with-partial-phase-separation-1101.0969</loc><lastmod>2011-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/blowdown-of-hydrocarbons-pressure-vessel-with-partial-phase-separation-1101.0969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/blowdown-of-hydrocarbons-pressure-vessel-with-partial-phase-separation-1101.0969"/></url>
<url><loc>https://scifaro.com/en/abs/cobalt-porphyrin-catalyzed-electrochemical-reduction-of-carbon-dioxide-in-water-ii-mechanism-from-first-principles-1101.1056</loc><lastmod>2011-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cobalt-porphyrin-catalyzed-electrochemical-reduction-of-carbon-dioxide-in-water-ii-mechanism-from-first-principles-1101.1056"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cobalt-porphyrin-catalyzed-electrochemical-reduction-of-carbon-dioxide-in-water-ii-mechanism-from-first-principles-1101.1056"/></url>
<url><loc>https://scifaro.com/en/abs/water-coordination-structures-and-the-excess-free-energy-of-the-liquid-1101.1076</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-coordination-structures-and-the-excess-free-energy-of-the-liquid-1101.1076"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-coordination-structures-and-the-excess-free-energy-of-the-liquid-1101.1076"/></url>
<url><loc>https://scifaro.com/en/abs/polarization-induced-water-molecule-dissociation-below-the-first-order-electronic-phase-transition-temperature-1101.1259</loc><lastmod>2015-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polarization-induced-water-molecule-dissociation-below-the-first-order-electronic-phase-transition-temperature-1101.1259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polarization-induced-water-molecule-dissociation-below-the-first-order-electronic-phase-transition-temperature-1101.1259"/></url>
<url><loc>https://scifaro.com/en/abs/a-dpf-analysis-yields-accurate-analytic-potentials-for-li-2-a-3-sigma-u-and-li-2-1-3-sigma-g-that-incorporate-3-state-mixing-near-the-1-3-sigma-g-state-asymptote-1101.1361</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-dpf-analysis-yields-accurate-analytic-potentials-for-li-2-a-3-sigma-u-and-li-2-1-3-sigma-g-that-incorporate-3-state-mixing-near-the-1-3-sigma-g-state-asymptote-1101.1361"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-dpf-analysis-yields-accurate-analytic-potentials-for-li-2-a-3-sigma-u-and-li-2-1-3-sigma-g-that-incorporate-3-state-mixing-near-the-1-3-sigma-g-state-asymptote-1101.1361"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-in-time-dependent-density-functional-theory-via-spin-symmetry-breaking-1101.1378</loc><lastmod>2015-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-in-time-dependent-density-functional-theory-via-spin-symmetry-breaking-1101.1378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-in-time-dependent-density-functional-theory-via-spin-symmetry-breaking-1101.1378"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-with-jastrow-valence-bond-wave-functions-1101.1726</loc><lastmod>2011-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-with-jastrow-valence-bond-wave-functions-1101.1726"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-with-jastrow-valence-bond-wave-functions-1101.1726"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-monte-carlo-study-of-the-ground-state-chromium-dimer-1101.1790</loc><lastmod>2012-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-monte-carlo-study-of-the-ground-state-chromium-dimer-1101.1790"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-monte-carlo-study-of-the-ground-state-chromium-dimer-1101.1790"/></url>
<url><loc>https://scifaro.com/en/abs/zeeman-relaxation-of-mnh-x7-sigma-in-collisions-with-3he-mechanism-and-comparison-with-experiment-1101.2159</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zeeman-relaxation-of-mnh-x7-sigma-in-collisions-with-3he-mechanism-and-comparison-with-experiment-1101.2159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zeeman-relaxation-of-mnh-x7-sigma-in-collisions-with-3he-mechanism-and-comparison-with-experiment-1101.2159"/></url>
<url><loc>https://scifaro.com/en/abs/detection-of-single-molecules-illuminated-by-a-light-emitting-diode-1101.2773</loc><lastmod>2011-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detection-of-single-molecules-illuminated-by-a-light-emitting-diode-1101.2773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detection-of-single-molecules-illuminated-by-a-light-emitting-diode-1101.2773"/></url>
<url><loc>https://scifaro.com/en/abs/thinking-outside-the-box-the-uniform-electron-gas-on-a-hypersphere-1101.3131</loc><lastmod>2011-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thinking-outside-the-box-the-uniform-electron-gas-on-a-hypersphere-1101.3131"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thinking-outside-the-box-the-uniform-electron-gas-on-a-hypersphere-1101.3131"/></url>
<url><loc>https://scifaro.com/en/abs/perspectives-on-double-excitations-in-tddft-1101.3379</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perspectives-on-double-excitations-in-tddft-1101.3379"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perspectives-on-double-excitations-in-tddft-1101.3379"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-gw-calculations-for-dna-and-rna-nucleobases-1101.3738</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-gw-calculations-for-dna-and-rna-nucleobases-1101.3738"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-gw-calculations-for-dna-and-rna-nucleobases-1101.3738"/></url>
<url><loc>https://scifaro.com/en/abs/curvature-gradient-driving-droplets-in-fast-motion-1101.3995</loc><lastmod>2011-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/curvature-gradient-driving-droplets-in-fast-motion-1101.3995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/curvature-gradient-driving-droplets-in-fast-motion-1101.3995"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-spectroscopy-of-fuv-irradiated-diamondoids-a-combined-experimental-and-theoretical-study-1101.4146</loc><lastmod>2011-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-spectroscopy-of-fuv-irradiated-diamondoids-a-combined-experimental-and-theoretical-study-1101.4146"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-spectroscopy-of-fuv-irradiated-diamondoids-a-combined-experimental-and-theoretical-study-1101.4146"/></url>
<url><loc>https://scifaro.com/en/abs/the-proton-momentum-distribution-in-strongly-h-bonded-phases-of-water-a-critical-test-of-electrostatic-models-1101.4630</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-proton-momentum-distribution-in-strongly-h-bonded-phases-of-water-a-critical-test-of-electrostatic-models-1101.4630"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-proton-momentum-distribution-in-strongly-h-bonded-phases-of-water-a-critical-test-of-electrostatic-models-1101.4630"/></url>
<url><loc>https://scifaro.com/en/abs/characteristic-noise-features-in-light-transmission-across-membrane-protein-undergoing-photocycle-1101.5230</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characteristic-noise-features-in-light-transmission-across-membrane-protein-undergoing-photocycle-1101.5230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characteristic-noise-features-in-light-transmission-across-membrane-protein-undergoing-photocycle-1101.5230"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-spectroscopy-with-vacuum-ultraviolet-pulse-pairs-1101.5958</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-spectroscopy-with-vacuum-ultraviolet-pulse-pairs-1101.5958"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-spectroscopy-with-vacuum-ultraviolet-pulse-pairs-1101.5958"/></url>
<url><loc>https://scifaro.com/en/abs/compressive-pressure-spatial-confinement-of-ions-and-adiabatic-heat-generation-in-binary-strong-electrolyte-solutions-by-an-external-electric-field-1101.6070</loc><lastmod>2011-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compressive-pressure-spatial-confinement-of-ions-and-adiabatic-heat-generation-in-binary-strong-electrolyte-solutions-by-an-external-electric-field-1101.6070"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compressive-pressure-spatial-confinement-of-ions-and-adiabatic-heat-generation-in-binary-strong-electrolyte-solutions-by-an-external-electric-field-1101.6070"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-possibilities-limits-for-solar-cells-1102.2596</loc><lastmod>2011-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-possibilities-limits-for-solar-cells-1102.2596"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-possibilities-limits-for-solar-cells-1102.2596"/></url>
<url><loc>https://scifaro.com/en/abs/general-expression-for-the-chemical-system-response-to-external-impact-1102.3217</loc><lastmod>2011-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-expression-for-the-chemical-system-response-to-external-impact-1102.3217"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-expression-for-the-chemical-system-response-to-external-impact-1102.3217"/></url>
<url><loc>https://scifaro.com/en/abs/transition-state-theory-a-generalization-to-nonequilibrium-systems-with-power-law-distributions-1102.3498</loc><lastmod>2015-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-state-theory-a-generalization-to-nonequilibrium-systems-with-power-law-distributions-1102.3498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-state-theory-a-generalization-to-nonequilibrium-systems-with-power-law-distributions-1102.3498"/></url>
<url><loc>https://scifaro.com/en/abs/the-complex-energy-spectrum-of-isomeric-reactions-1102.3531</loc><lastmod>2011-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-complex-energy-spectrum-of-isomeric-reactions-1102.3531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-complex-energy-spectrum-of-isomeric-reactions-1102.3531"/></url>
<url><loc>https://scifaro.com/en/abs/cross-section-and-selection-rules-in-surface-enhanced-hyper-raman-scattering-1102.4256</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cross-section-and-selection-rules-in-surface-enhanced-hyper-raman-scattering-1102.4256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cross-section-and-selection-rules-in-surface-enhanced-hyper-raman-scattering-1102.4256"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-dimension-dvr-study-of-cis-trans-isomerization-in-the-s-1-state-of-c-2h-2-1102.4383</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-dimension-dvr-study-of-cis-trans-isomerization-in-the-s-1-state-of-c-2h-2-1102.4383"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-dimension-dvr-study-of-cis-trans-isomerization-in-the-s-1-state-of-c-2h-2-1102.4383"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-the-sehr-spectra-of-symmetrical-molecules-on-the-base-of-the-dipole-quadrupole-theory-1102.4412</loc><lastmod>2011-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-the-sehr-spectra-of-symmetrical-molecules-on-the-base-of-the-dipole-quadrupole-theory-1102.4412"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-the-sehr-spectra-of-symmetrical-molecules-on-the-base-of-the-dipole-quadrupole-theory-1102.4412"/></url>
<url><loc>https://scifaro.com/en/abs/evaporation-of-droplets-on-strong-and-low-pinning-surfaces-and-dynamics-of-the-triple-line-1102.4499</loc><lastmod>2011-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaporation-of-droplets-on-strong-and-low-pinning-surfaces-and-dynamics-of-the-triple-line-1102.4499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaporation-of-droplets-on-strong-and-low-pinning-surfaces-and-dynamics-of-the-triple-line-1102.4499"/></url>
<url><loc>https://scifaro.com/en/abs/parahydrogen-enhanced-zero-field-nuclear-magnetic-resonance-1102.5378</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parahydrogen-enhanced-zero-field-nuclear-magnetic-resonance-1102.5378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parahydrogen-enhanced-zero-field-nuclear-magnetic-resonance-1102.5378"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-formation-and-decay-of-a-molecular-ultracold-plasma-1103.0053</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-formation-and-decay-of-a-molecular-ultracold-plasma-1103.0053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-formation-and-decay-of-a-molecular-ultracold-plasma-1103.0053"/></url>
<url><loc>https://scifaro.com/en/abs/critical-analysis-of-data-concerning-saccharomyces-cerevisiae-free-cell-proliferations-and-fermentations-assisted-by-magnetic-and-electromagnetic-fields-1103.0175</loc><lastmod>2011-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/critical-analysis-of-data-concerning-saccharomyces-cerevisiae-free-cell-proliferations-and-fermentations-assisted-by-magnetic-and-electromagnetic-fields-1103.0175"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/critical-analysis-of-data-concerning-saccharomyces-cerevisiae-free-cell-proliferations-and-fermentations-assisted-by-magnetic-and-electromagnetic-fields-1103.0175"/></url>
<url><loc>https://scifaro.com/en/abs/harmonium-as-a-laboratory-for-mathematical-chemistry-1103.2023</loc><lastmod>2012-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/harmonium-as-a-laboratory-for-mathematical-chemistry-1103.2023"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/harmonium-as-a-laboratory-for-mathematical-chemistry-1103.2023"/></url>
<url><loc>https://scifaro.com/en/abs/identification-of-the-molecule-metal-bonding-geometries-of-molecular-nanowires-1103.2378</loc><lastmod>2012-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-of-the-molecule-metal-bonding-geometries-of-molecular-nanowires-1103.2378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-of-the-molecule-metal-bonding-geometries-of-molecular-nanowires-1103.2378"/></url>
<url><loc>https://scifaro.com/en/abs/the-multiple-quantum-nmr-dynamics-in-systems-of-equivalent-spins-with-the-dipolar-ordered-initial-state-1103.3108</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-multiple-quantum-nmr-dynamics-in-systems-of-equivalent-spins-with-the-dipolar-ordered-initial-state-1103.3108"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-multiple-quantum-nmr-dynamics-in-systems-of-equivalent-spins-with-the-dipolar-ordered-initial-state-1103.3108"/></url>
<url><loc>https://scifaro.com/en/abs/trapping-effects-on-the-vibration-inversion-rotation-motions-of-an-ammonia-molecule-encapsulated-in-c-60-fullerene-molecule-1103.3615</loc><lastmod>2011-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/trapping-effects-on-the-vibration-inversion-rotation-motions-of-an-ammonia-molecule-encapsulated-in-c-60-fullerene-molecule-1103.3615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/trapping-effects-on-the-vibration-inversion-rotation-motions-of-an-ammonia-molecule-encapsulated-in-c-60-fullerene-molecule-1103.3615"/></url>
<url><loc>https://scifaro.com/en/abs/electronically-excited-states-of-vitamin-b12-benchmark-calculations-including-time-dependent-density-functional-theory-and-correlated-ab-initio-methods-1103.3712</loc><lastmod>2011-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronically-excited-states-of-vitamin-b12-benchmark-calculations-including-time-dependent-density-functional-theory-and-correlated-ab-initio-methods-1103.3712"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronically-excited-states-of-vitamin-b12-benchmark-calculations-including-time-dependent-density-functional-theory-and-correlated-ab-initio-methods-1103.3712"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-role-of-the-magnetic-dipolar-interaction-in-cold-and-ultracold-collisions-numerical-and-analytical-results-for-nh-3-sigma-nh-3-sigma-1103.4274</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-role-of-the-magnetic-dipolar-interaction-in-cold-and-ultracold-collisions-numerical-and-analytical-results-for-nh-3-sigma-nh-3-sigma-1103.4274"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-role-of-the-magnetic-dipolar-interaction-in-cold-and-ultracold-collisions-numerical-and-analytical-results-for-nh-3-sigma-nh-3-sigma-1103.4274"/></url>
<url><loc>https://scifaro.com/en/abs/thickness-dependent-morphologies-of-gold-on-n-layer-graphenes-1103.4444</loc><lastmod>2011-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thickness-dependent-morphologies-of-gold-on-n-layer-graphenes-1103.4444"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thickness-dependent-morphologies-of-gold-on-n-layer-graphenes-1103.4444"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-top-and-bottom-of-the-quantum-control-landscape-1103.5390</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-top-and-bottom-of-the-quantum-control-landscape-1103.5390"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-top-and-bottom-of-the-quantum-control-landscape-1103.5390"/></url>
<url><loc>https://scifaro.com/en/abs/stability-of-matter-antimatter-molecules-1103.5774</loc><lastmod>2011-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stability-of-matter-antimatter-molecules-1103.5774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stability-of-matter-antimatter-molecules-1103.5774"/></url>
<url><loc>https://scifaro.com/en/abs/statistics-and-nos-e-formalism-for-ehrenfest-dynamics-1104.2154</loc><lastmod>2013-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistics-and-nos-e-formalism-for-ehrenfest-dynamics-1104.2154"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistics-and-nos-e-formalism-for-ehrenfest-dynamics-1104.2154"/></url>
<url><loc>https://scifaro.com/en/abs/temporary-mirror-symmetry-breaking-and-chiral-excursions-in-open-and-closed-systems-1104.2229</loc><lastmod>2015-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temporary-mirror-symmetry-breaking-and-chiral-excursions-in-open-and-closed-systems-1104.2229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temporary-mirror-symmetry-breaking-and-chiral-excursions-in-open-and-closed-systems-1104.2229"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-approach-to-the-theory-of-brownian-coagulation-and-diffusion-limited-reactions-1104.2414</loc><lastmod>2016-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-approach-to-the-theory-of-brownian-coagulation-and-diffusion-limited-reactions-1104.2414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-approach-to-the-theory-of-brownian-coagulation-and-diffusion-limited-reactions-1104.2414"/></url>
<url><loc>https://scifaro.com/en/abs/aggregation-of-ferromagnetic-and-paramagnetic-atoms-at-edges-of-graphenes-and-graphite-1104.2666</loc><lastmod>2011-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/aggregation-of-ferromagnetic-and-paramagnetic-atoms-at-edges-of-graphenes-and-graphite-1104.2666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/aggregation-of-ferromagnetic-and-paramagnetic-atoms-at-edges-of-graphenes-and-graphite-1104.2666"/></url>
<url><loc>https://scifaro.com/en/abs/state-to-state-differential-and-relative-integral-cross-sections-for-rotationally-inelastic-scattering-of-h2o-by-hydrogen-1104.2715</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-to-state-differential-and-relative-integral-cross-sections-for-rotationally-inelastic-scattering-of-h2o-by-hydrogen-1104.2715"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-to-state-differential-and-relative-integral-cross-sections-for-rotationally-inelastic-scattering-of-h2o-by-hydrogen-1104.2715"/></url>
<url><loc>https://scifaro.com/en/abs/transition-from-van-der-waals-to-h-bonds-dominated-interaction-in-n-propanol-physisorbed-on-graphite-1104.3319</loc><lastmod>2015-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-from-van-der-waals-to-h-bonds-dominated-interaction-in-n-propanol-physisorbed-on-graphite-1104.3319"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-from-van-der-waals-to-h-bonds-dominated-interaction-in-n-propanol-physisorbed-on-graphite-1104.3319"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-approach-to-local-hardness-1104.3485</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-approach-to-local-hardness-1104.3485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-approach-to-local-hardness-1104.3485"/></url>
<url><loc>https://scifaro.com/en/abs/thermochemistry-of-alane-complexes-for-hydrogen-storage-a-theoretical-and-experimental-comparison-1104.3582</loc><lastmod>2011-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermochemistry-of-alane-complexes-for-hydrogen-storage-a-theoretical-and-experimental-comparison-1104.3582"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermochemistry-of-alane-complexes-for-hydrogen-storage-a-theoretical-and-experimental-comparison-1104.3582"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-energy-partitioning-schemes-a-dilemma-i-mayer-faraday-discuss-2007-135-439-1104.3780</loc><lastmod>2011-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-energy-partitioning-schemes-a-dilemma-i-mayer-faraday-discuss-2007-135-439-1104.3780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-energy-partitioning-schemes-a-dilemma-i-mayer-faraday-discuss-2007-135-439-1104.3780"/></url>
<url><loc>https://scifaro.com/en/abs/crystallization-mechanism-of-hard-sphere-glasses-1104.3828</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crystallization-mechanism-of-hard-sphere-glasses-1104.3828"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crystallization-mechanism-of-hard-sphere-glasses-1104.3828"/></url>
<url><loc>https://scifaro.com/en/abs/the-states-1-1-sigma-u-1-1-pi-u-and-2-1-sigma-u-of-sr-2-studied-by-fourier-transform-spectroscopy-1104.4293</loc><lastmod>2015-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-states-1-1-sigma-u-1-1-pi-u-and-2-1-sigma-u-of-sr-2-studied-by-fourier-transform-spectroscopy-1104.4293"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-states-1-1-sigma-u-1-1-pi-u-and-2-1-sigma-u-of-sr-2-studied-by-fourier-transform-spectroscopy-1104.4293"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-decoherence-free-states-in-multi-spin-systems-1104.4883</loc><lastmod>2014-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-decoherence-free-states-in-multi-spin-systems-1104.4883"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-decoherence-free-states-in-multi-spin-systems-1104.4883"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-existing-h2-o2-chemical-reaction-mechanisms-at-reheat-gas-turbine-conditions-1104.4925</loc><lastmod>2011-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-existing-h2-o2-chemical-reaction-mechanisms-at-reheat-gas-turbine-conditions-1104.4925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-existing-h2-o2-chemical-reaction-mechanisms-at-reheat-gas-turbine-conditions-1104.4925"/></url>
<url><loc>https://scifaro.com/en/abs/parameter-estimation-by-density-functional-theory-for-a-lattice-gas-model-of-br-and-cl-chemisorption-on-ag-100-1104.5042</loc><lastmod>2011-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parameter-estimation-by-density-functional-theory-for-a-lattice-gas-model-of-br-and-cl-chemisorption-on-ag-100-1104.5042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parameter-estimation-by-density-functional-theory-for-a-lattice-gas-model-of-br-and-cl-chemisorption-on-ag-100-1104.5042"/></url>
<url><loc>https://scifaro.com/en/abs/the-magnetite-as-adsorbent-for-some-hazardous-species-from-aqueous-solutions-a-review-1104.5647</loc><lastmod>2011-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-magnetite-as-adsorbent-for-some-hazardous-species-from-aqueous-solutions-a-review-1104.5647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-magnetite-as-adsorbent-for-some-hazardous-species-from-aqueous-solutions-a-review-1104.5647"/></url>
<url><loc>https://scifaro.com/en/abs/the-canonical-equilibrium-of-constrained-molecular-models-1105.0374</loc><lastmod>2011-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-canonical-equilibrium-of-constrained-molecular-models-1105.0374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-canonical-equilibrium-of-constrained-molecular-models-1105.0374"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-description-of-adiabatic-laser-alignment-and-mixed-field-orientation-the-need-for-a-non-adiabatic-model-1105.0534</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-description-of-adiabatic-laser-alignment-and-mixed-field-orientation-the-need-for-a-non-adiabatic-model-1105.0534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-description-of-adiabatic-laser-alignment-and-mixed-field-orientation-the-need-for-a-non-adiabatic-model-1105.0534"/></url>
<url><loc>https://scifaro.com/en/abs/application-in-the-ethanol-fermentation-of-immobilized-yeast-cells-in-matrix-of-alginate-magnetic-nanoparticles-on-chitosan-magnetite-microparticles-and-cellulose-coated-magnetic-nanoparticles-1105.0619</loc><lastmod>2011-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-in-the-ethanol-fermentation-of-immobilized-yeast-cells-in-matrix-of-alginate-magnetic-nanoparticles-on-chitosan-magnetite-microparticles-and-cellulose-coated-magnetic-nanoparticles-1105.0619"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-in-the-ethanol-fermentation-of-immobilized-yeast-cells-in-matrix-of-alginate-magnetic-nanoparticles-on-chitosan-magnetite-microparticles-and-cellulose-coated-magnetic-nanoparticles-1105.0619"/></url>
<url><loc>https://scifaro.com/en/abs/the-excitation-function-for-li-hf-lif-h-at-collision-energies-below-80-mev-1105.1037</loc><lastmod>2011-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-excitation-function-for-li-hf-lif-h-at-collision-energies-below-80-mev-1105.1037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-excitation-function-for-li-hf-lif-h-at-collision-energies-below-80-mev-1105.1037"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-d2o-ice-photodesorption-1105.1079</loc><lastmod>2011-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-d2o-ice-photodesorption-1105.1079"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-d2o-ice-photodesorption-1105.1079"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-three-body-atom-diatom-potential-for-doublet-li-3-1105.1090</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-three-body-atom-diatom-potential-for-doublet-li-3-1105.1090"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-three-body-atom-diatom-potential-for-doublet-li-3-1105.1090"/></url>
<url><loc>https://scifaro.com/en/abs/investigating-transition-state-resonances-in-the-time-domain-by-means-of-bohmian-mechanics-the-f-hd-reaction-1105.1258</loc><lastmod>2012-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigating-transition-state-resonances-in-the-time-domain-by-means-of-bohmian-mechanics-the-f-hd-reaction-1105.1258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigating-transition-state-resonances-in-the-time-domain-by-means-of-bohmian-mechanics-the-f-hd-reaction-1105.1258"/></url>
<url><loc>https://scifaro.com/en/abs/graft-copolymers-of-maleic-anhydride-and-its-isostructural-analogues-high-performance-engineering-materials-1105.1260</loc><lastmod>2011-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graft-copolymers-of-maleic-anhydride-and-its-isostructural-analogues-high-performance-engineering-materials-1105.1260"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graft-copolymers-of-maleic-anhydride-and-its-isostructural-analogues-high-performance-engineering-materials-1105.1260"/></url>
<url><loc>https://scifaro.com/en/abs/an-empirical-dependence-of-frequency-in-the-oscillatory-sorption-of-h2-and-d2-in-pd-on-the-first-ionization-potential-of-noble-gases-1105.1501</loc><lastmod>2011-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-empirical-dependence-of-frequency-in-the-oscillatory-sorption-of-h2-and-d2-in-pd-on-the-first-ionization-potential-of-noble-gases-1105.1501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-empirical-dependence-of-frequency-in-the-oscillatory-sorption-of-h2-and-d2-in-pd-on-the-first-ionization-potential-of-noble-gases-1105.1501"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-langevin-model-for-exoergic-ion-molecule-reactions-and-inelastic-processes-1105.1545</loc><lastmod>2011-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-langevin-model-for-exoergic-ion-molecule-reactions-and-inelastic-processes-1105.1545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-langevin-model-for-exoergic-ion-molecule-reactions-and-inelastic-processes-1105.1545"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-orientation-by-intense-single-cycle-thz-pulses-1105.1635</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-orientation-by-intense-single-cycle-thz-pulses-1105.1635"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-orientation-by-intense-single-cycle-thz-pulses-1105.1635"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-studies-of-some-diatomic-molecules-using-spectrum-generating-algebra-approach-1105.2190</loc><lastmod>2011-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-studies-of-some-diatomic-molecules-using-spectrum-generating-algebra-approach-1105.2190"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-studies-of-some-diatomic-molecules-using-spectrum-generating-algebra-approach-1105.2190"/></url>
<url><loc>https://scifaro.com/en/abs/foaming-in-stout-beers-1105.2263</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/foaming-in-stout-beers-1105.2263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/foaming-in-stout-beers-1105.2263"/></url>
<url><loc>https://scifaro.com/en/abs/stark-selected-beam-of-ground-state-ocs-molecules-characterized-by-revivals-of-impulsive-alignment-1105.2413</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stark-selected-beam-of-ground-state-ocs-molecules-characterized-by-revivals-of-impulsive-alignment-1105.2413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stark-selected-beam-of-ground-state-ocs-molecules-characterized-by-revivals-of-impulsive-alignment-1105.2413"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-the-dielectric-discontinuity-on-the-counterion-distribution-in-a-colloidal-suspension-1105.2915</loc><lastmod>2011-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-the-dielectric-discontinuity-on-the-counterion-distribution-in-a-colloidal-suspension-1105.2915"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-the-dielectric-discontinuity-on-the-counterion-distribution-in-a-colloidal-suspension-1105.2915"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-study-of-charge-doping-effect-on-1d-polymerization-of-c60-1105.3000</loc><lastmod>2015-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-study-of-charge-doping-effect-on-1d-polymerization-of-c60-1105.3000"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-study-of-charge-doping-effect-on-1d-polymerization-of-c60-1105.3000"/></url>
<url><loc>https://scifaro.com/en/abs/deflection-of-rotating-symmetric-molecules-by-inhomogeneous-fields-1105.3071</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deflection-of-rotating-symmetric-molecules-by-inhomogeneous-fields-1105.3071"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deflection-of-rotating-symmetric-molecules-by-inhomogeneous-fields-1105.3071"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-fullerene-yield-in-plasma-aerosol-reactor-at-cryogenic-boundary-temperature-1105.3576</loc><lastmod>2011-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-fullerene-yield-in-plasma-aerosol-reactor-at-cryogenic-boundary-temperature-1105.3576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-fullerene-yield-in-plasma-aerosol-reactor-at-cryogenic-boundary-temperature-1105.3576"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-calculation-of-uv-vis-absorption-spectra-of-a-single-molecule-chlorophyll-a-comparison-study-between-rhf-cis-tddft-and-semi-empirical-methods-1105.3766</loc><lastmod>2014-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-calculation-of-uv-vis-absorption-spectra-of-a-single-molecule-chlorophyll-a-comparison-study-between-rhf-cis-tddft-and-semi-empirical-methods-1105.3766"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-calculation-of-uv-vis-absorption-spectra-of-a-single-molecule-chlorophyll-a-comparison-study-between-rhf-cis-tddft-and-semi-empirical-methods-1105.3766"/></url>
<url><loc>https://scifaro.com/en/abs/oscillatory-thermal-instability-the-bhopal-disaster-and-liquid-bombs-1105.3778</loc><lastmod>2015-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oscillatory-thermal-instability-the-bhopal-disaster-and-liquid-bombs-1105.3778"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oscillatory-thermal-instability-the-bhopal-disaster-and-liquid-bombs-1105.3778"/></url>
<url><loc>https://scifaro.com/en/abs/capability-of-the-free-ion-eigenstates-for-crystal-field-splitting-1105.4168</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/capability-of-the-free-ion-eigenstates-for-crystal-field-splitting-1105.4168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/capability-of-the-free-ion-eigenstates-for-crystal-field-splitting-1105.4168"/></url>
<url><loc>https://scifaro.com/en/abs/borane-derivatives-a-new-class-as-super-and-hyperhalogens-1105.4564</loc><lastmod>2011-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/borane-derivatives-a-new-class-as-super-and-hyperhalogens-1105.4564"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/borane-derivatives-a-new-class-as-super-and-hyperhalogens-1105.4564"/></url>
<url><loc>https://scifaro.com/en/abs/supersymmetric-factorization-yields-exact-solutions-to-the-molecular-stark-effect-problem-for-stretched-states-1105.5262</loc><lastmod>2011-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/supersymmetric-factorization-yields-exact-solutions-to-the-molecular-stark-effect-problem-for-stretched-states-1105.5262"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/supersymmetric-factorization-yields-exact-solutions-to-the-molecular-stark-effect-problem-for-stretched-states-1105.5262"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-non-equilibrium-heat-and-work-and-the-fate-of-the-clausius-inequality-1105.5549</loc><lastmod>2011-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-non-equilibrium-heat-and-work-and-the-fate-of-the-clausius-inequality-1105.5549"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-non-equilibrium-heat-and-work-and-the-fate-of-the-clausius-inequality-1105.5549"/></url>
<url><loc>https://scifaro.com/en/abs/universal-ultracold-collision-rates-for-polar-molecules-of-two-alkali-metal-atoms-1106.0494</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-ultracold-collision-rates-for-polar-molecules-of-two-alkali-metal-atoms-1106.0494"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-ultracold-collision-rates-for-polar-molecules-of-two-alkali-metal-atoms-1106.0494"/></url>
<url><loc>https://scifaro.com/en/abs/biosorption-of-ag-i-spirulina-platensis-for-different-ph-1106.0594</loc><lastmod>2011-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/biosorption-of-ag-i-spirulina-platensis-for-different-ph-1106.0594"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/biosorption-of-ag-i-spirulina-platensis-for-different-ph-1106.0594"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-internal-conversion-in-ethylene-i-the-excited-state-lifetime-1106.0939</loc><lastmod>2011-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-internal-conversion-in-ethylene-i-the-excited-state-lifetime-1106.0939"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-internal-conversion-in-ethylene-i-the-excited-state-lifetime-1106.0939"/></url>
<url><loc>https://scifaro.com/en/abs/hierarchy-of-protein-loop-lock-structures-a-new-server-for-the-decomposition-of-a-protein-structure-into-a-set-of-closed-loops-1106.1356</loc><lastmod>2013-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hierarchy-of-protein-loop-lock-structures-a-new-server-for-the-decomposition-of-a-protein-structure-into-a-set-of-closed-loops-1106.1356"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hierarchy-of-protein-loop-lock-structures-a-new-server-for-the-decomposition-of-a-protein-structure-into-a-set-of-closed-loops-1106.1356"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-spectrum-of-asymmetric-top-molecules-in-combined-static-and-laser-fields-1106.1586</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-spectrum-of-asymmetric-top-molecules-in-combined-static-and-laser-fields-1106.1586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-spectrum-of-asymmetric-top-molecules-in-combined-static-and-laser-fields-1106.1586"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-interactions-between-ultracold-atoms-and-molecules-including-atomic-spin-orbit-1106.2051</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-interactions-between-ultracold-atoms-and-molecules-including-atomic-spin-orbit-1106.2051"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-interactions-between-ultracold-atoms-and-molecules-including-atomic-spin-orbit-1106.2051"/></url>
<url><loc>https://scifaro.com/en/abs/co2-dissociation-activated-through-electron-attachment-on-reduced-rutile-tio2-110-1x1-surface-1106.2625</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/co2-dissociation-activated-through-electron-attachment-on-reduced-rutile-tio2-110-1x1-surface-1106.2625"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/co2-dissociation-activated-through-electron-attachment-on-reduced-rutile-tio2-110-1x1-surface-1106.2625"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-role-of-dynamical-barriers-in-barrierless-reactions-at-low-energies-s-1-d-h-2-1106.2710</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-role-of-dynamical-barriers-in-barrierless-reactions-at-low-energies-s-1-d-h-2-1106.2710"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-role-of-dynamical-barriers-in-barrierless-reactions-at-low-energies-s-1-d-h-2-1106.2710"/></url>
<url><loc>https://scifaro.com/en/abs/combination-of-many-body-and-density-functional-theories-1106.2744</loc><lastmod>2011-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combination-of-many-body-and-density-functional-theories-1106.2744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combination-of-many-body-and-density-functional-theories-1106.2744"/></url>
<url><loc>https://scifaro.com/en/abs/biosorption-of-cr-vi-and-cr-iii-arthrobacter-species-1106.2918</loc><lastmod>2011-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/biosorption-of-cr-vi-and-cr-iii-arthrobacter-species-1106.2918"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/biosorption-of-cr-vi-and-cr-iii-arthrobacter-species-1106.2918"/></url>
<url><loc>https://scifaro.com/en/abs/driving-conditions-dependence-of-magneto-electroluminescence-in-tri-8-hydroxyquinoline-aluminum-based-organic-light-emitting-diodes-1106.3534</loc><lastmod>2011-06-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/driving-conditions-dependence-of-magneto-electroluminescence-in-tri-8-hydroxyquinoline-aluminum-based-organic-light-emitting-diodes-1106.3534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/driving-conditions-dependence-of-magneto-electroluminescence-in-tri-8-hydroxyquinoline-aluminum-based-organic-light-emitting-diodes-1106.3534"/></url>
<url><loc>https://scifaro.com/en/abs/supersymmetry-identifies-molecular-stark-states-whose-eigenproperties-can-be-obtained-analytically-1106.4402</loc><lastmod>2011-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/supersymmetry-identifies-molecular-stark-states-whose-eigenproperties-can-be-obtained-analytically-1106.4402"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/supersymmetry-identifies-molecular-stark-states-whose-eigenproperties-can-be-obtained-analytically-1106.4402"/></url>
<url><loc>https://scifaro.com/en/abs/a-compact-analytical-formalism-for-current-transients-in-electrochemical-systems-1106.4464</loc><lastmod>2011-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-compact-analytical-formalism-for-current-transients-in-electrochemical-systems-1106.4464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-compact-analytical-formalism-for-current-transients-in-electrochemical-systems-1106.4464"/></url>
<url><loc>https://scifaro.com/en/abs/the-quantified-nto-analysis-for-the-electronic-excitations-of-molecular-many-body-systems-1106.4669</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-quantified-nto-analysis-for-the-electronic-excitations-of-molecular-many-body-systems-1106.4669"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-quantified-nto-analysis-for-the-electronic-excitations-of-molecular-many-body-systems-1106.4669"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-parametrizable-model-of-molecular-electronic-structure-1106.4793</loc><lastmod>2014-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-parametrizable-model-of-molecular-electronic-structure-1106.4793"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-parametrizable-model-of-molecular-electronic-structure-1106.4793"/></url>
<url><loc>https://scifaro.com/en/abs/explaining-the-observed-long-coherence-effects-by-2d-photon-echo-experiments-in-photosynthetic-eet-two-component-phonon-spectrum-model-1106.5854</loc><lastmod>2011-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explaining-the-observed-long-coherence-effects-by-2d-photon-echo-experiments-in-photosynthetic-eet-two-component-phonon-spectrum-model-1106.5854"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explaining-the-observed-long-coherence-effects-by-2d-photon-echo-experiments-in-photosynthetic-eet-two-component-phonon-spectrum-model-1106.5854"/></url>
<url><loc>https://scifaro.com/en/abs/non-markovian-second-order-quantum-master-equation-and-its-markovian-limit-electronic-energy-transfer-in-model-photosynthetic-systems-1106.5911</loc><lastmod>2011-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-markovian-second-order-quantum-master-equation-and-its-markovian-limit-electronic-energy-transfer-in-model-photosynthetic-systems-1106.5911"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-markovian-second-order-quantum-master-equation-and-its-markovian-limit-electronic-energy-transfer-in-model-photosynthetic-systems-1106.5911"/></url>
<url><loc>https://scifaro.com/en/abs/detailed-study-of-dissipative-quantum-dynamics-of-k-2-attached-to-helium-nanodroplets-1106.6143</loc><lastmod>2012-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detailed-study-of-dissipative-quantum-dynamics-of-k-2-attached-to-helium-nanodroplets-1106.6143"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detailed-study-of-dissipative-quantum-dynamics-of-k-2-attached-to-helium-nanodroplets-1106.6143"/></url>
<url><loc>https://scifaro.com/en/abs/a-continuum-solvent-model-the-disolv-program-algorithms-implementation-and-validation-1107.0404</loc><lastmod>2012-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-continuum-solvent-model-the-disolv-program-algorithms-implementation-and-validation-1107.0404"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-continuum-solvent-model-the-disolv-program-algorithms-implementation-and-validation-1107.0404"/></url>
<url><loc>https://scifaro.com/en/abs/continuous-dielectric-permittivity-i-specific-features-of-the-dielectric-continuum-solvation-model-with-a-position-dependent-permittivity-function-1107.0407</loc><lastmod>2011-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuous-dielectric-permittivity-i-specific-features-of-the-dielectric-continuum-solvation-model-with-a-position-dependent-permittivity-function-1107.0407"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuous-dielectric-permittivity-i-specific-features-of-the-dielectric-continuum-solvation-model-with-a-position-dependent-permittivity-function-1107.0407"/></url>
<url><loc>https://scifaro.com/en/abs/modifying-molecule-surface-scattering-by-ultrashort-laser-pulses-1107.0818</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modifying-molecule-surface-scattering-by-ultrashort-laser-pulses-1107.0818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modifying-molecule-surface-scattering-by-ultrashort-laser-pulses-1107.0818"/></url>
<url><loc>https://scifaro.com/en/abs/cold-collisions-of-an-open-shell-s-state-atom-with-a-2pi-molecule-n-4s-colliding-with-oh-in-a-magnetic-field-1107.1443</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-collisions-of-an-open-shell-s-state-atom-with-a-2pi-molecule-n-4s-colliding-with-oh-in-a-magnetic-field-1107.1443"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-collisions-of-an-open-shell-s-state-atom-with-a-2pi-molecule-n-4s-colliding-with-oh-in-a-magnetic-field-1107.1443"/></url>
<url><loc>https://scifaro.com/en/abs/enlarged-surface-meshes-and-normalization-conditions-for-columns-and-rows-of-matrices-in-the-cosmo-method-1107.1479</loc><lastmod>2012-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enlarged-surface-meshes-and-normalization-conditions-for-columns-and-rows-of-matrices-in-the-cosmo-method-1107.1479"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enlarged-surface-meshes-and-normalization-conditions-for-columns-and-rows-of-matrices-in-the-cosmo-method-1107.1479"/></url>
<url><loc>https://scifaro.com/en/abs/continual-model-of-medium-i-algorithm-for-formation-of-smooth-molecular-surface-1107.1482</loc><lastmod>2013-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continual-model-of-medium-i-algorithm-for-formation-of-smooth-molecular-surface-1107.1482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continual-model-of-medium-i-algorithm-for-formation-of-smooth-molecular-surface-1107.1482"/></url>
<url><loc>https://scifaro.com/en/abs/continuous-dielectric-permittivity-ii-an-iterative-method-for-calculating-the-polar-component-of-the-molecular-solvation-gibbs-energy-under-a-smooth-change-in-the-dielectric-permittivity-of-a-solution-1107.1652</loc><lastmod>2011-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuous-dielectric-permittivity-ii-an-iterative-method-for-calculating-the-polar-component-of-the-molecular-solvation-gibbs-energy-under-a-smooth-change-in-the-dielectric-permittivity-of-a-solution-1107.1652"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuous-dielectric-permittivity-ii-an-iterative-method-for-calculating-the-polar-component-of-the-molecular-solvation-gibbs-energy-under-a-smooth-change-in-the-dielectric-permittivity-of-a-solution-1107.1652"/></url>
<url><loc>https://scifaro.com/en/abs/continual-model-of-medium-iii-calculation-of-analytical-gradients-of-parameters-of-surface-meshes-on-the-molecular-surfaces-over-atomic-coordinates-1107.1655</loc><lastmod>2013-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continual-model-of-medium-iii-calculation-of-analytical-gradients-of-parameters-of-surface-meshes-on-the-molecular-surfaces-over-atomic-coordinates-1107.1655"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continual-model-of-medium-iii-calculation-of-analytical-gradients-of-parameters-of-surface-meshes-on-the-molecular-surfaces-over-atomic-coordinates-1107.1655"/></url>
<url><loc>https://scifaro.com/en/abs/continual-model-of-medium-ii-universal-adaptive-algorithm-for-triangulation-of-smooth-molecular-surface-1107.1658</loc><lastmod>2013-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continual-model-of-medium-ii-universal-adaptive-algorithm-for-triangulation-of-smooth-molecular-surface-1107.1658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continual-model-of-medium-ii-universal-adaptive-algorithm-for-triangulation-of-smooth-molecular-surface-1107.1658"/></url>
<url><loc>https://scifaro.com/en/abs/advanced-quasi-steady-state-approximation-for-chemical-kinetics-1107.1710</loc><lastmod>2012-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/advanced-quasi-steady-state-approximation-for-chemical-kinetics-1107.1710"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/advanced-quasi-steady-state-approximation-for-chemical-kinetics-1107.1710"/></url>
<url><loc>https://scifaro.com/en/abs/the-inefficiency-of-re-weighted-sampling-and-the-curse-of-system-size-in-high-order-path-integration-1107.1908</loc><lastmod>2012-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-inefficiency-of-re-weighted-sampling-and-the-curse-of-system-size-in-high-order-path-integration-1107.1908"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-inefficiency-of-re-weighted-sampling-and-the-curse-of-system-size-in-high-order-path-integration-1107.1908"/></url>
<url><loc>https://scifaro.com/en/abs/atomistic-molecular-dynamics-simulations-of-shock-compressed-quartz-1107.2152</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomistic-molecular-dynamics-simulations-of-shock-compressed-quartz-1107.2152"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomistic-molecular-dynamics-simulations-of-shock-compressed-quartz-1107.2152"/></url>
<url><loc>https://scifaro.com/en/abs/buckled-nano-rod-a-two-state-system-quantum-effects-on-its-dynamics-1107.3357</loc><lastmod>2011-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/buckled-nano-rod-a-two-state-system-quantum-effects-on-its-dynamics-1107.3357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/buckled-nano-rod-a-two-state-system-quantum-effects-on-its-dynamics-1107.3357"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-the-electron-density-on-the-fixed-node-errors-in-quantum-monte-carlo-1107.3520</loc><lastmod>2013-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-the-electron-density-on-the-fixed-node-errors-in-quantum-monte-carlo-1107.3520"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-the-electron-density-on-the-fixed-node-errors-in-quantum-monte-carlo-1107.3520"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-facing-the-hartree-fock-symmetry-dilemma-the-case-of-hydrogen-rings-1107.3537</loc><lastmod>2011-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-facing-the-hartree-fock-symmetry-dilemma-the-case-of-hydrogen-rings-1107.3537"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-facing-the-hartree-fock-symmetry-dilemma-the-case-of-hydrogen-rings-1107.3537"/></url>
<url><loc>https://scifaro.com/en/abs/regularizing-binding-energy-distributions-and-thermodynamics-of-hydration-application-to-water-modeled-with-classical-and-ab-initio-simulations-1107.3871</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/regularizing-binding-energy-distributions-and-thermodynamics-of-hydration-application-to-water-modeled-with-classical-and-ab-initio-simulations-1107.3871"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/regularizing-binding-energy-distributions-and-thermodynamics-of-hydration-application-to-water-modeled-with-classical-and-ab-initio-simulations-1107.3871"/></url>
<url><loc>https://scifaro.com/en/abs/stern-gerlach-deflection-of-field-free-aligned-paramagnetic-molecules-1107.3916</loc><lastmod>2015-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stern-gerlach-deflection-of-field-free-aligned-paramagnetic-molecules-1107.3916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stern-gerlach-deflection-of-field-free-aligned-paramagnetic-molecules-1107.3916"/></url>
<url><loc>https://scifaro.com/en/abs/why-the-traditional-concept-of-local-hardness-does-not-work-1107.4249</loc><lastmod>2012-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/why-the-traditional-concept-of-local-hardness-does-not-work-1107.4249"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/why-the-traditional-concept-of-local-hardness-does-not-work-1107.4249"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-the-derivative-discontinuity-in-density-functional-theory-from-an-electrostatic-description-of-the-exchange-and-correlation-potential-1107.4339</loc><lastmod>2013-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-the-derivative-discontinuity-in-density-functional-theory-from-an-electrostatic-description-of-the-exchange-and-correlation-potential-1107.4339"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-the-derivative-discontinuity-in-density-functional-theory-from-an-electrostatic-description-of-the-exchange-and-correlation-potential-1107.4339"/></url>
<url><loc>https://scifaro.com/en/abs/mechanisms-for-the-near-uv-photodissociation-of-ch-3-i-on-d-2-o-cu-110-1107.4622</loc><lastmod>2021-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanisms-for-the-near-uv-photodissociation-of-ch-3-i-on-d-2-o-cu-110-1107.4622"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanisms-for-the-near-uv-photodissociation-of-ch-3-i-on-d-2-o-cu-110-1107.4622"/></url>
<url><loc>https://scifaro.com/en/abs/local-energy-a-basis-for-local-electronegativity-and-local-hardness-1107.4898</loc><lastmod>2011-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-energy-a-basis-for-local-electronegativity-and-local-hardness-1107.4898"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-energy-a-basis-for-local-electronegativity-and-local-hardness-1107.4898"/></url>
<url><loc>https://scifaro.com/en/abs/atomistic-simulations-of-electrolyte-solutions-and-hydrogels-with-explicit-solvent-models-1107.4936</loc><lastmod>2011-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomistic-simulations-of-electrolyte-solutions-and-hydrogels-with-explicit-solvent-models-1107.4936"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomistic-simulations-of-electrolyte-solutions-and-hydrogels-with-explicit-solvent-models-1107.4936"/></url>
<url><loc>https://scifaro.com/en/abs/weak-intermolecular-interactions-in-gas-phase-nmr-1107.5261</loc><lastmod>2011-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/weak-intermolecular-interactions-in-gas-phase-nmr-1107.5261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/weak-intermolecular-interactions-in-gas-phase-nmr-1107.5261"/></url>
<url><loc>https://scifaro.com/en/abs/practical-data-correlation-of-flashpoints-of-binary-mixtures-by-a-reciprocal-function-the-concept-and-numerical-examples-1107.5330</loc><lastmod>2011-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/practical-data-correlation-of-flashpoints-of-binary-mixtures-by-a-reciprocal-function-the-concept-and-numerical-examples-1107.5330"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/practical-data-correlation-of-flashpoints-of-binary-mixtures-by-a-reciprocal-function-the-concept-and-numerical-examples-1107.5330"/></url>
<url><loc>https://scifaro.com/en/abs/chlorophylls-natural-solar-cells-1107.5880</loc><lastmod>2011-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chlorophylls-natural-solar-cells-1107.5880"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chlorophylls-natural-solar-cells-1107.5880"/></url>
<url><loc>https://scifaro.com/en/abs/nature-of-selenium-sub-monolayer-effect-on-the-oxygen-electro-reduction-reaction-activity-of-ru-0001-1108.0118</loc><lastmod>2012-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nature-of-selenium-sub-monolayer-effect-on-the-oxygen-electro-reduction-reaction-activity-of-ru-0001-1108.0118"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nature-of-selenium-sub-monolayer-effect-on-the-oxygen-electro-reduction-reaction-activity-of-ru-0001-1108.0118"/></url>
<url><loc>https://scifaro.com/en/abs/closed-shell-ring-coupled-cluster-doubles-theory-with-range-separation-applied-on-weak-intermolecular-interactions-1108.0198</loc><lastmod>2011-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/closed-shell-ring-coupled-cluster-doubles-theory-with-range-separation-applied-on-weak-intermolecular-interactions-1108.0198"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/closed-shell-ring-coupled-cluster-doubles-theory-with-range-separation-applied-on-weak-intermolecular-interactions-1108.0198"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-energy-of-anisotropic-quantum-dots-1108.0257</loc><lastmod>2011-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-energy-of-anisotropic-quantum-dots-1108.0257"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-energy-of-anisotropic-quantum-dots-1108.0257"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-nature-of-highly-vibrationally-excited-states-of-thiophosgene-1108.0503</loc><lastmod>2011-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-nature-of-highly-vibrationally-excited-states-of-thiophosgene-1108.0503"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-nature-of-highly-vibrationally-excited-states-of-thiophosgene-1108.0503"/></url>
<url><loc>https://scifaro.com/en/abs/progress-in-time-dependent-density-functional-theory-1108.0611</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/progress-in-time-dependent-density-functional-theory-1108.0611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/progress-in-time-dependent-density-functional-theory-1108.0611"/></url>
<url><loc>https://scifaro.com/en/abs/energy-of-one-dimensional-diatomic-elastic-granular-gas-theory-and-molecular-dynamics-simulation-1108.0749</loc><lastmod>2014-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-of-one-dimensional-diatomic-elastic-granular-gas-theory-and-molecular-dynamics-simulation-1108.0749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-of-one-dimensional-diatomic-elastic-granular-gas-theory-and-molecular-dynamics-simulation-1108.0749"/></url>
<url><loc>https://scifaro.com/en/abs/conformation-of-self-assembled-porphyrin-dimers-in-liposome-vesicles-by-phase-modulation-2d-fluorescence-spectroscopy-1108.1143</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformation-of-self-assembled-porphyrin-dimers-in-liposome-vesicles-by-phase-modulation-2d-fluorescence-spectroscopy-1108.1143"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformation-of-self-assembled-porphyrin-dimers-in-liposome-vesicles-by-phase-modulation-2d-fluorescence-spectroscopy-1108.1143"/></url>
<url><loc>https://scifaro.com/en/abs/continual-model-of-medium-iv-calculation-of-analytical-gradients-for-solvation-energy-over-atomic-coordinates-1108.1667</loc><lastmod>2013-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continual-model-of-medium-iv-calculation-of-analytical-gradients-for-solvation-energy-over-atomic-coordinates-1108.1667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continual-model-of-medium-iv-calculation-of-analytical-gradients-for-solvation-energy-over-atomic-coordinates-1108.1667"/></url>
<url><loc>https://scifaro.com/en/abs/electron-correlation-via-frozen-gaussian-dynamics-1108.2034</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-correlation-via-frozen-gaussian-dynamics-1108.2034"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-correlation-via-frozen-gaussian-dynamics-1108.2034"/></url>
<url><loc>https://scifaro.com/en/abs/applications-and-use-of-microemulsions-1108.2794</loc><lastmod>2011-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/applications-and-use-of-microemulsions-1108.2794"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/applications-and-use-of-microemulsions-1108.2794"/></url>
<url><loc>https://scifaro.com/en/abs/a-superconvergent-representation-of-the-gersten-nitzan-and-ford-webber-nonradiative-rates-1108.2884</loc><lastmod>2011-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-superconvergent-representation-of-the-gersten-nitzan-and-ford-webber-nonradiative-rates-1108.2884"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-superconvergent-representation-of-the-gersten-nitzan-and-ford-webber-nonradiative-rates-1108.2884"/></url>
<url><loc>https://scifaro.com/en/abs/two-dimensional-spectral-interferometry-using-the-carrier-envelope-phase-1108.2959</loc><lastmod>2011-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-spectral-interferometry-using-the-carrier-envelope-phase-1108.2959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-spectral-interferometry-using-the-carrier-envelope-phase-1108.2959"/></url>
<url><loc>https://scifaro.com/en/abs/wavelet-based-linear-response-time-dependent-density-functional-theory-1108.3475</loc><lastmod>2012-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wavelet-based-linear-response-time-dependent-density-functional-theory-1108.3475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wavelet-based-linear-response-time-dependent-density-functional-theory-1108.3475"/></url>
<url><loc>https://scifaro.com/en/abs/rovibrational-interactions-in-linear-triatomic-molecules-a-theoretical-study-in-curvilinear-vibrational-coordinates-1108.3532</loc><lastmod>2011-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rovibrational-interactions-in-linear-triatomic-molecules-a-theoretical-study-in-curvilinear-vibrational-coordinates-1108.3532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rovibrational-interactions-in-linear-triatomic-molecules-a-theoretical-study-in-curvilinear-vibrational-coordinates-1108.3532"/></url>
<url><loc>https://scifaro.com/en/abs/topology-of-classical-molecular-optimal-control-landscapes-in-phase-space-1108.3806</loc><lastmod>2015-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topology-of-classical-molecular-optimal-control-landscapes-in-phase-space-1108.3806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topology-of-classical-molecular-optimal-control-landscapes-in-phase-space-1108.3806"/></url>
<url><loc>https://scifaro.com/en/abs/mechanism-of-molecular-orientation-by-single-cycle-pulses-1108.3991</loc><lastmod>2012-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanism-of-molecular-orientation-by-single-cycle-pulses-1108.3991"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanism-of-molecular-orientation-by-single-cycle-pulses-1108.3991"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-drop-movements-arising-from-curvature-gradient-1108.4590</loc><lastmod>2011-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-drop-movements-arising-from-curvature-gradient-1108.4590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-drop-movements-arising-from-curvature-gradient-1108.4590"/></url>
<url><loc>https://scifaro.com/en/abs/the-effect-of-hyperfine-interactions-on-ultracold-molecular-collisions-nh-3sigma-with-mg-1s-in-magnetic-fields-1108.4641</loc><lastmod>2013-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effect-of-hyperfine-interactions-on-ultracold-molecular-collisions-nh-3sigma-with-mg-1s-in-magnetic-fields-1108.4641"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effect-of-hyperfine-interactions-on-ultracold-molecular-collisions-nh-3sigma-with-mg-1s-in-magnetic-fields-1108.4641"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-excitons-in-molecular-aggregates-1108.4834</loc><lastmod>2012-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-excitons-in-molecular-aggregates-1108.4834"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-excitons-in-molecular-aggregates-1108.4834"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-size-consistency-of-the-reduced-density-matrix-method-and-the-unitary-invariant-diagonal-n-representability-conditions-1108.5665</loc><lastmod>2011-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-size-consistency-of-the-reduced-density-matrix-method-and-the-unitary-invariant-diagonal-n-representability-conditions-1108.5665"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-size-consistency-of-the-reduced-density-matrix-method-and-the-unitary-invariant-diagonal-n-representability-conditions-1108.5665"/></url>
<url><loc>https://scifaro.com/en/abs/decomposition-of-formic-acid-1108.5891</loc><lastmod>2011-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decomposition-of-formic-acid-1108.5891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decomposition-of-formic-acid-1108.5891"/></url>
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<url><loc>https://scifaro.com/en/abs/intrinsic-noise-induced-resonance-in-presence-of-sub-threshold-signal-in-brusselator-1109.0408</loc><lastmod>2012-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrinsic-noise-induced-resonance-in-presence-of-sub-threshold-signal-in-brusselator-1109.0408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrinsic-noise-induced-resonance-in-presence-of-sub-threshold-signal-in-brusselator-1109.0408"/></url>
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<url><loc>https://scifaro.com/en/abs/rotational-predissociation-of-extremely-weakly-bound-atom-molecule-complexes-produced-by-feshbach-resonance-association-1109.1008</loc><lastmod>2011-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-predissociation-of-extremely-weakly-bound-atom-molecule-complexes-produced-by-feshbach-resonance-association-1109.1008"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-predissociation-of-extremely-weakly-bound-atom-molecule-complexes-produced-by-feshbach-resonance-association-1109.1008"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-path-integral-study-of-the-phase-diagram-and-isotope-effects-of-neon-1109.1126</loc><lastmod>2011-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-path-integral-study-of-the-phase-diagram-and-isotope-effects-of-neon-1109.1126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-path-integral-study-of-the-phase-diagram-and-isotope-effects-of-neon-1109.1126"/></url>
<url><loc>https://scifaro.com/en/abs/nucleotide-insertion-initiated-by-van-der-waals-interaction-during-polymerase-beta-dna-replication-1109.1259</loc><lastmod>2013-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nucleotide-insertion-initiated-by-van-der-waals-interaction-during-polymerase-beta-dna-replication-1109.1259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nucleotide-insertion-initiated-by-van-der-waals-interaction-during-polymerase-beta-dna-replication-1109.1259"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-inert-species-in-the-gas-phase-in-a-model-for-the-catalytic-oxidation-of-co-1109.1315</loc><lastmod>2012-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-inert-species-in-the-gas-phase-in-a-model-for-the-catalytic-oxidation-of-co-1109.1315"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-inert-species-in-the-gas-phase-in-a-model-for-the-catalytic-oxidation-of-co-1109.1315"/></url>
<url><loc>https://scifaro.com/en/abs/fluorescence-spectrum-analysis-using-fourier-series-modeling-for-fluorescein-solution-in-ethanol-1109.1458</loc><lastmod>2011-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fluorescence-spectrum-analysis-using-fourier-series-modeling-for-fluorescein-solution-in-ethanol-1109.1458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fluorescence-spectrum-analysis-using-fourier-series-modeling-for-fluorescein-solution-in-ethanol-1109.1458"/></url>
<url><loc>https://scifaro.com/en/abs/rigorous-formulation-of-two-parameter-double-hybrid-density-functionals-1109.1485</loc><lastmod>2012-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rigorous-formulation-of-two-parameter-double-hybrid-density-functionals-1109.1485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rigorous-formulation-of-two-parameter-double-hybrid-density-functionals-1109.1485"/></url>
<url><loc>https://scifaro.com/en/abs/random-packing-of-small-blocks-pressure-effects-orientational-correlations-and-application-to-polymer-based-composites-1109.1656</loc><lastmod>2012-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/random-packing-of-small-blocks-pressure-effects-orientational-correlations-and-application-to-polymer-based-composites-1109.1656"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/random-packing-of-small-blocks-pressure-effects-orientational-correlations-and-application-to-polymer-based-composites-1109.1656"/></url>
<url><loc>https://scifaro.com/en/abs/collision-dynamics-and-solvation-of-water-molecules-in-a-liquid-methanol-film-1109.1678</loc><lastmod>2011-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collision-dynamics-and-solvation-of-water-molecules-in-a-liquid-methanol-film-1109.1678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collision-dynamics-and-solvation-of-water-molecules-in-a-liquid-methanol-film-1109.1678"/></url>
<url><loc>https://scifaro.com/en/abs/unified-description-of-hydrogen-bonding-and-of-proton-transfer-by-a-two-state-effective-hamiltonian-1109.2179</loc><lastmod>2012-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unified-description-of-hydrogen-bonding-and-of-proton-transfer-by-a-two-state-effective-hamiltonian-1109.2179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unified-description-of-hydrogen-bonding-and-of-proton-transfer-by-a-two-state-effective-hamiltonian-1109.2179"/></url>
<url><loc>https://scifaro.com/en/abs/asymptotic-behavior-of-the-electron-density-and-the-kohn-sham-potential-in-case-of-a-kohn-sham-homo-nodal-plane-1109.2204</loc><lastmod>2015-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymptotic-behavior-of-the-electron-density-and-the-kohn-sham-potential-in-case-of-a-kohn-sham-homo-nodal-plane-1109.2204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymptotic-behavior-of-the-electron-density-and-the-kohn-sham-potential-in-case-of-a-kohn-sham-homo-nodal-plane-1109.2204"/></url>
<url><loc>https://scifaro.com/en/abs/fast-and-accurate-modeling-of-molecular-atomization-energies-with-machine-learning-1109.2618</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-and-accurate-modeling-of-molecular-atomization-energies-with-machine-learning-1109.2618"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-and-accurate-modeling-of-molecular-atomization-energies-with-machine-learning-1109.2618"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-ring-opening-in-chd-investigated-by-simplex-based-spectral-unmixing-1109.2702</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-ring-opening-in-chd-investigated-by-simplex-based-spectral-unmixing-1109.2702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-ring-opening-in-chd-investigated-by-simplex-based-spectral-unmixing-1109.2702"/></url>
<url><loc>https://scifaro.com/en/abs/inverted-sandwich-type-and-open-lantern-type-dinuclear-transition-metal-complexes-theoretical-study-of-chemical-bonds-by-electronic-stress-tensor-1109.3063</loc><lastmod>2012-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inverted-sandwich-type-and-open-lantern-type-dinuclear-transition-metal-complexes-theoretical-study-of-chemical-bonds-by-electronic-stress-tensor-1109.3063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inverted-sandwich-type-and-open-lantern-type-dinuclear-transition-metal-complexes-theoretical-study-of-chemical-bonds-by-electronic-stress-tensor-1109.3063"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-modelling-of-stable-isotope-fractionation-of-volatile-organic-compounds-in-the-unsaturated-zone-1109.3141</loc><lastmod>2011-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-modelling-of-stable-isotope-fractionation-of-volatile-organic-compounds-in-the-unsaturated-zone-1109.3141"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-modelling-of-stable-isotope-fractionation-of-volatile-organic-compounds-in-the-unsaturated-zone-1109.3141"/></url>
<url><loc>https://scifaro.com/en/abs/co2-laser-driven-reactions-in-pure-acetylene-flow-1109.3331</loc><lastmod>2011-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/co2-laser-driven-reactions-in-pure-acetylene-flow-1109.3331"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/co2-laser-driven-reactions-in-pure-acetylene-flow-1109.3331"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-explanation-for-why-talc-surfaces-can-be-both-hydrophilic-and-hydrophobic-1109.4284</loc><lastmod>2011-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-explanation-for-why-talc-surfaces-can-be-both-hydrophilic-and-hydrophobic-1109.4284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-explanation-for-why-talc-surfaces-can-be-both-hydrophilic-and-hydrophobic-1109.4284"/></url>
<url><loc>https://scifaro.com/en/abs/uv-frequency-metrology-on-co-a3pi-isotope-effects-and-sensitivity-to-a-variation-of-the-proton-to-electron-mass-ratio-1109.4362</loc><lastmod>2012-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uv-frequency-metrology-on-co-a3pi-isotope-effects-and-sensitivity-to-a-variation-of-the-proton-to-electron-mass-ratio-1109.4362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uv-frequency-metrology-on-co-a3pi-isotope-effects-and-sensitivity-to-a-variation-of-the-proton-to-electron-mass-ratio-1109.4362"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-interactions-between-like-homonuclear-alkali-metal-diatoms-1109.4410</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-interactions-between-like-homonuclear-alkali-metal-diatoms-1109.4410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-interactions-between-like-homonuclear-alkali-metal-diatoms-1109.4410"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-structure-refinement-by-direct-fitting-of-atomic-coordinates-to-experimental-esr-spectra-1109.4815</loc><lastmod>2014-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-structure-refinement-by-direct-fitting-of-atomic-coordinates-to-experimental-esr-spectra-1109.4815"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-structure-refinement-by-direct-fitting-of-atomic-coordinates-to-experimental-esr-spectra-1109.4815"/></url>
<url><loc>https://scifaro.com/en/abs/parallel-density-matrix-propagation-in-spin-dynamics-simulations-1109.4816</loc><lastmod>2014-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parallel-density-matrix-propagation-in-spin-dynamics-simulations-1109.4816"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parallel-density-matrix-propagation-in-spin-dynamics-simulations-1109.4816"/></url>
<url><loc>https://scifaro.com/en/abs/sensitivity-of-transitions-in-internal-rotor-molecules-to-a-possible-variation-of-the-proton-to-electron-mass-ratio-1109.5076</loc><lastmod>2012-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sensitivity-of-transitions-in-internal-rotor-molecules-to-a-possible-variation-of-the-proton-to-electron-mass-ratio-1109.5076"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sensitivity-of-transitions-in-internal-rotor-molecules-to-a-possible-variation-of-the-proton-to-electron-mass-ratio-1109.5076"/></url>
<url><loc>https://scifaro.com/en/abs/auger-decay-of-molecular-double-core-hole-state-1109.5443</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/auger-decay-of-molecular-double-core-hole-state-1109.5443"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/auger-decay-of-molecular-double-core-hole-state-1109.5443"/></url>
<url><loc>https://scifaro.com/en/abs/radiation-damage-of-polyethylene-exposed-in-the-stratosphere-at-an-altitude-of-40-km-1109.5457</loc><lastmod>2011-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/radiation-damage-of-polyethylene-exposed-in-the-stratosphere-at-an-altitude-of-40-km-1109.5457"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/radiation-damage-of-polyethylene-exposed-in-the-stratosphere-at-an-altitude-of-40-km-1109.5457"/></url>
<url><loc>https://scifaro.com/en/abs/control-of-1-3-cyclohexadiene-photoisomerization-using-light-induced-conical-intersections-1109.5756</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/control-of-1-3-cyclohexadiene-photoisomerization-using-light-induced-conical-intersections-1109.5756"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/control-of-1-3-cyclohexadiene-photoisomerization-using-light-induced-conical-intersections-1109.5756"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-energy-transfer-in-light-harvesting-systems-ii-quantum-classical-comparison-flux-network-and-robustness-analysis-1109.5769</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-energy-transfer-in-light-harvesting-systems-ii-quantum-classical-comparison-flux-network-and-robustness-analysis-1109.5769"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-energy-transfer-in-light-harvesting-systems-ii-quantum-classical-comparison-flux-network-and-robustness-analysis-1109.5769"/></url>
<url><loc>https://scifaro.com/en/abs/laser-polarization-dependent-photoelectron-angular-distributions-from-polar-molecules-1109.5855</loc><lastmod>2013-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-polarization-dependent-photoelectron-angular-distributions-from-polar-molecules-1109.5855"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-polarization-dependent-photoelectron-angular-distributions-from-polar-molecules-1109.5855"/></url>
<url><loc>https://scifaro.com/en/abs/advancing-hierarchical-equations-of-motion-for-efficient-evaluation-of-coherent-two-dimensional-spectroscopy-1109.6168</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/advancing-hierarchical-equations-of-motion-for-efficient-evaluation-of-coherent-two-dimensional-spectroscopy-1109.6168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/advancing-hierarchical-equations-of-motion-for-efficient-evaluation-of-coherent-two-dimensional-spectroscopy-1109.6168"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-internal-conversion-in-ethylene-ii-mechanisms-and-pathways-for-quenching-and-hydrogen-elimination-1110.0149</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-internal-conversion-in-ethylene-ii-mechanisms-and-pathways-for-quenching-and-hydrogen-elimination-1110.0149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-internal-conversion-in-ethylene-ii-mechanisms-and-pathways-for-quenching-and-hydrogen-elimination-1110.0149"/></url>
<url><loc>https://scifaro.com/en/abs/nanophotonic-control-of-forster-resonance-energy-transfer-1110.0457</loc><lastmod>2012-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanophotonic-control-of-forster-resonance-energy-transfer-1110.0457"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanophotonic-control-of-forster-resonance-energy-transfer-1110.0457"/></url>
<url><loc>https://scifaro.com/en/abs/free-energy-profiles-along-reduction-pathways-of-mos2-m-edge-and-s-edge-by-dihydrogen-a-first-principles-study-1110.1103</loc><lastmod>2011-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/free-energy-profiles-along-reduction-pathways-of-mos2-m-edge-and-s-edge-by-dihydrogen-a-first-principles-study-1110.1103"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/free-energy-profiles-along-reduction-pathways-of-mos2-m-edge-and-s-edge-by-dihydrogen-a-first-principles-study-1110.1103"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-the-minimum-ignition-energy-based-on-the-ignition-delay-time-1110.1163</loc><lastmod>2011-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-the-minimum-ignition-energy-based-on-the-ignition-delay-time-1110.1163"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-the-minimum-ignition-energy-based-on-the-ignition-delay-time-1110.1163"/></url>
<url><loc>https://scifaro.com/en/abs/orientation-dependent-ionization-yields-from-strong-field-ionization-of-fixed-in-space-linear-and-asymmetric-top-molecules-1110.1246</loc><lastmod>2012-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orientation-dependent-ionization-yields-from-strong-field-ionization-of-fixed-in-space-linear-and-asymmetric-top-molecules-1110.1246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orientation-dependent-ionization-yields-from-strong-field-ionization-of-fixed-in-space-linear-and-asymmetric-top-molecules-1110.1246"/></url>
<url><loc>https://scifaro.com/en/abs/measurement-of-static-and-dynamic-light-scattering-1110.1703</loc><lastmod>2023-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurement-of-static-and-dynamic-light-scattering-1110.1703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurement-of-static-and-dynamic-light-scattering-1110.1703"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-excitons-in-ionophores-experimental-probes-for-quantum-coherence-assisted-ion-transport-and-selectivity-in-ion-channels-1110.2134</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-excitons-in-ionophores-experimental-probes-for-quantum-coherence-assisted-ion-transport-and-selectivity-in-ion-channels-1110.2134"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-excitons-in-ionophores-experimental-probes-for-quantum-coherence-assisted-ion-transport-and-selectivity-in-ion-channels-1110.2134"/></url>
<url><loc>https://scifaro.com/en/abs/modelling-coagulation-systems-a-stochastic-approach-1110.2423</loc><lastmod>2011-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modelling-coagulation-systems-a-stochastic-approach-1110.2423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modelling-coagulation-systems-a-stochastic-approach-1110.2423"/></url>
<url><loc>https://scifaro.com/en/abs/resonant-multi-photon-ir-dissociation-spectroscopy-of-a-trapped-and-sympathetically-cooled-biomolecular-ion-species-1110.2774</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resonant-multi-photon-ir-dissociation-spectroscopy-of-a-trapped-and-sympathetically-cooled-biomolecular-ion-species-1110.2774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resonant-multi-photon-ir-dissociation-spectroscopy-of-a-trapped-and-sympathetically-cooled-biomolecular-ion-species-1110.2774"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-stress-tensor-analysis-of-hydrogenated-palladium-clusters-1110.2853</loc><lastmod>2012-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-stress-tensor-analysis-of-hydrogenated-palladium-clusters-1110.2853"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-stress-tensor-analysis-of-hydrogenated-palladium-clusters-1110.2853"/></url>
<url><loc>https://scifaro.com/en/abs/mechanisms-for-covalent-immobilization-of-horseradish-peroxi-dase-on-ion-beam-treated-polyethylene-1110.3125</loc><lastmod>2011-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanisms-for-covalent-immobilization-of-horseradish-peroxi-dase-on-ion-beam-treated-polyethylene-1110.3125"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanisms-for-covalent-immobilization-of-horseradish-peroxi-dase-on-ion-beam-treated-polyethylene-1110.3125"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-selective-isotope-effect-in-the-ultraviolet-excitation-of-n2-a-computational-study-1110.3503</loc><lastmod>2011-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-selective-isotope-effect-in-the-ultraviolet-excitation-of-n2-a-computational-study-1110.3503"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-selective-isotope-effect-in-the-ultraviolet-excitation-of-n2-a-computational-study-1110.3503"/></url>
<url><loc>https://scifaro.com/en/abs/stability-of-chiral-states-role-of-intermolecular-interactions-and-molecular-parity-violation-1110.3545</loc><lastmod>2011-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stability-of-chiral-states-role-of-intermolecular-interactions-and-molecular-parity-violation-1110.3545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stability-of-chiral-states-role-of-intermolecular-interactions-and-molecular-parity-violation-1110.3545"/></url>
<url><loc>https://scifaro.com/en/abs/optical-activity-hund-paradox-and-molecular-parity-violation-1110.3932</loc><lastmod>2012-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-activity-hund-paradox-and-molecular-parity-violation-1110.3932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-activity-hund-paradox-and-molecular-parity-violation-1110.3932"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-solvent-mediated-ising-like-system-a-study-for-future-nanotechnology-1110.4030</loc><lastmod>2011-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-solvent-mediated-ising-like-system-a-study-for-future-nanotechnology-1110.4030"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-solvent-mediated-ising-like-system-a-study-for-future-nanotechnology-1110.4030"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-characterization-of-the-electronic-properties-of-extended-thienylenevinylene-oligomers-1110.4179</loc><lastmod>2011-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-characterization-of-the-electronic-properties-of-extended-thienylenevinylene-oligomers-1110.4179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-characterization-of-the-electronic-properties-of-extended-thienylenevinylene-oligomers-1110.4179"/></url>
<url><loc>https://scifaro.com/en/abs/an-innovative-approach-to-balancing-chemical-reaction-equations-a-simplified-matrix-inversion-technique-for-determining-the-matrix-null-space-1110.4321</loc><lastmod>2011-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-innovative-approach-to-balancing-chemical-reaction-equations-a-simplified-matrix-inversion-technique-for-determining-the-matrix-null-space-1110.4321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-innovative-approach-to-balancing-chemical-reaction-equations-a-simplified-matrix-inversion-technique-for-determining-the-matrix-null-space-1110.4321"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-electron-attachment-and-vibrational-excitation-of-mathbf-cf-3cl-effect-of-two-vibrational-modes-revisited-1110.5729</loc><lastmod>2011-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-electron-attachment-and-vibrational-excitation-of-mathbf-cf-3cl-effect-of-two-vibrational-modes-revisited-1110.5729"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-electron-attachment-and-vibrational-excitation-of-mathbf-cf-3cl-effect-of-two-vibrational-modes-revisited-1110.5729"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-potentials-for-molecular-bond-dissociation-within-the-self-consistent-random-phase-approximation-1110.6062</loc><lastmod>2015-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-potentials-for-molecular-bond-dissociation-within-the-self-consistent-random-phase-approximation-1110.6062"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-potentials-for-molecular-bond-dissociation-within-the-self-consistent-random-phase-approximation-1110.6062"/></url>
<url><loc>https://scifaro.com/en/abs/difficulties-in-applying-pure-kohn-sham-density-functional-theory-electronic-structure-methods-to-protein-molecules-1110.6096</loc><lastmod>2012-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/difficulties-in-applying-pure-kohn-sham-density-functional-theory-electronic-structure-methods-to-protein-molecules-1110.6096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/difficulties-in-applying-pure-kohn-sham-density-functional-theory-electronic-structure-methods-to-protein-molecules-1110.6096"/></url>
<url><loc>https://scifaro.com/en/abs/quasiperiodic-tilings-a-generalized-grid-projection-method-1110.6142</loc><lastmod>2011-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasiperiodic-tilings-a-generalized-grid-projection-method-1110.6142"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasiperiodic-tilings-a-generalized-grid-projection-method-1110.6142"/></url>
<url><loc>https://scifaro.com/en/abs/renner-teller-effect-on-dissociative-electron-attachments-to-carbon-dioxide-1110.6256</loc><lastmod>2011-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/renner-teller-effect-on-dissociative-electron-attachments-to-carbon-dioxide-1110.6256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/renner-teller-effect-on-dissociative-electron-attachments-to-carbon-dioxide-1110.6256"/></url>
<url><loc>https://scifaro.com/en/abs/extended-lagrangian-free-energy-molecular-dynamics-1111.0261</loc><lastmod>2011-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extended-lagrangian-free-energy-molecular-dynamics-1111.0261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extended-lagrangian-free-energy-molecular-dynamics-1111.0261"/></url>
<url><loc>https://scifaro.com/en/abs/a-neutron-diffraction-study-from-6-to-293-k-and-a-macroscopic-scale-quantum-theory-of-the-hydrogen-bonded-dimers-in-the-crystal-of-benzoic-acid-1111.0662</loc><lastmod>2011-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-neutron-diffraction-study-from-6-to-293-k-and-a-macroscopic-scale-quantum-theory-of-the-hydrogen-bonded-dimers-in-the-crystal-of-benzoic-acid-1111.0662"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-neutron-diffraction-study-from-6-to-293-k-and-a-macroscopic-scale-quantum-theory-of-the-hydrogen-bonded-dimers-in-the-crystal-of-benzoic-acid-1111.0662"/></url>
<url><loc>https://scifaro.com/en/abs/exact-ionization-potentials-from-wavefunction-asymptotics-the-extended-koopmans-theorem-revisited-1111.0891</loc><lastmod>2011-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-ionization-potentials-from-wavefunction-asymptotics-the-extended-koopmans-theorem-revisited-1111.0891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-ionization-potentials-from-wavefunction-asymptotics-the-extended-koopmans-theorem-revisited-1111.0891"/></url>
<url><loc>https://scifaro.com/en/abs/partitioning-of-the-molecular-density-matrix-over-atoms-and-bonds-1111.0892</loc><lastmod>2011-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/partitioning-of-the-molecular-density-matrix-over-atoms-and-bonds-1111.0892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/partitioning-of-the-molecular-density-matrix-over-atoms-and-bonds-1111.0892"/></url>
<url><loc>https://scifaro.com/en/abs/hilbert-space-partitioning-of-the-molecular-one-electron-density-matrix-with-orthogonal-projectors-1111.0894</loc><lastmod>2011-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hilbert-space-partitioning-of-the-molecular-one-electron-density-matrix-with-orthogonal-projectors-1111.0894"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hilbert-space-partitioning-of-the-molecular-one-electron-density-matrix-with-orthogonal-projectors-1111.0894"/></url>
<url><loc>https://scifaro.com/en/abs/fast-density-matrix-based-partitioning-of-the-energy-over-the-atoms-in-a-molecule-consistent-with-the-hirshfeld-i-partitioning-of-the-electron-density-1111.0896</loc><lastmod>2011-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-density-matrix-based-partitioning-of-the-energy-over-the-atoms-in-a-molecule-consistent-with-the-hirshfeld-i-partitioning-of-the-electron-density-1111.0896"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-density-matrix-based-partitioning-of-the-energy-over-the-atoms-in-a-molecule-consistent-with-the-hirshfeld-i-partitioning-of-the-electron-density-1111.0896"/></url>
<url><loc>https://scifaro.com/en/abs/revisiting-zeno-s-paradox-flying-arrows-for-atom-diatom-reactions-1111.1520</loc><lastmod>2011-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revisiting-zeno-s-paradox-flying-arrows-for-atom-diatom-reactions-1111.1520"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revisiting-zeno-s-paradox-flying-arrows-for-atom-diatom-reactions-1111.1520"/></url>
<url><loc>https://scifaro.com/en/abs/when-a-covalent-bond-is-broken-1111.1530</loc><lastmod>2011-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/when-a-covalent-bond-is-broken-1111.1530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/when-a-covalent-bond-is-broken-1111.1530"/></url>
<url><loc>https://scifaro.com/en/abs/ultracold-collisions-between-two-light-indistinguishable-diatomic-molecules-elastic-and-rotational-energy-transfer-in-hd-hd-1111.2598</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultracold-collisions-between-two-light-indistinguishable-diatomic-molecules-elastic-and-rotational-energy-transfer-in-hd-hd-1111.2598"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultracold-collisions-between-two-light-indistinguishable-diatomic-molecules-elastic-and-rotational-energy-transfer-in-hd-hd-1111.2598"/></url>
<url><loc>https://scifaro.com/en/abs/a-comparative-study-of-the-low-energy-hd-o-p-h2-rotational-excitation-de-excitation-collisions-and-elastic-scattering-1111.2599</loc><lastmod>2015-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comparative-study-of-the-low-energy-hd-o-p-h2-rotational-excitation-de-excitation-collisions-and-elastic-scattering-1111.2599"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comparative-study-of-the-low-energy-hd-o-p-h2-rotational-excitation-de-excitation-collisions-and-elastic-scattering-1111.2599"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-characterization-of-dinaphthylpolyynes-a-model-system-for-the-study-of-end-capped-sp-carbon-chains-1111.2716</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-characterization-of-dinaphthylpolyynes-a-model-system-for-the-study-of-end-capped-sp-carbon-chains-1111.2716"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-characterization-of-dinaphthylpolyynes-a-model-system-for-the-study-of-end-capped-sp-carbon-chains-1111.2716"/></url>
<url><loc>https://scifaro.com/en/abs/path-integral-approach-to-the-calculation-of-reaction-rates-for-a-reaction-coordinate-coupled-to-a-dual-harmonic-bath-1111.3007</loc><lastmod>2011-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/path-integral-approach-to-the-calculation-of-reaction-rates-for-a-reaction-coordinate-coupled-to-a-dual-harmonic-bath-1111.3007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/path-integral-approach-to-the-calculation-of-reaction-rates-for-a-reaction-coordinate-coupled-to-a-dual-harmonic-bath-1111.3007"/></url>
<url><loc>https://scifaro.com/en/abs/cumulant-expansion-for-fast-estimate-of-non-condon-effects-in-vibronic-transition-profiles-1111.3052</loc><lastmod>2017-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cumulant-expansion-for-fast-estimate-of-non-condon-effects-in-vibronic-transition-profiles-1111.3052"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cumulant-expansion-for-fast-estimate-of-non-condon-effects-in-vibronic-transition-profiles-1111.3052"/></url>
<url><loc>https://scifaro.com/en/abs/evidence-of-photocatalytic-dissociation-of-water-on-tio2-with-atomic-resolution-1111.3256</loc><lastmod>2011-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evidence-of-photocatalytic-dissociation-of-water-on-tio2-with-atomic-resolution-1111.3256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evidence-of-photocatalytic-dissociation-of-water-on-tio2-with-atomic-resolution-1111.3256"/></url>
<url><loc>https://scifaro.com/en/abs/scattering-resonances-in-slow-nh-3-he-collisions-1111.3539</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scattering-resonances-in-slow-nh-3-he-collisions-1111.3539"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scattering-resonances-in-slow-nh-3-he-collisions-1111.3539"/></url>
<url><loc>https://scifaro.com/en/abs/cold-collisions-of-complex-polyatomic-molecules-1111.4706</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-collisions-of-complex-polyatomic-molecules-1111.4706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-collisions-of-complex-polyatomic-molecules-1111.4706"/></url>
<url><loc>https://scifaro.com/en/abs/significant-role-of-dna-backbone-in-mediating-the-transition-origin-of-electronic-excitations-of-b-dna-implication-from-long-range-corrected-tddft-and-quantified-nto-analysis-1111.5151</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/significant-role-of-dna-backbone-in-mediating-the-transition-origin-of-electronic-excitations-of-b-dna-implication-from-long-range-corrected-tddft-and-quantified-nto-analysis-1111.5151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/significant-role-of-dna-backbone-in-mediating-the-transition-origin-of-electronic-excitations-of-b-dna-implication-from-long-range-corrected-tddft-and-quantified-nto-analysis-1111.5151"/></url>
<url><loc>https://scifaro.com/en/abs/resolutions-of-the-coulomb-operator-vi-computation-of-auxiliary-integrals-1111.5387</loc><lastmod>2013-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resolutions-of-the-coulomb-operator-vi-computation-of-auxiliary-integrals-1111.5387"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resolutions-of-the-coulomb-operator-vi-computation-of-auxiliary-integrals-1111.5387"/></url>
<url><loc>https://scifaro.com/en/abs/magneto-electric-effects-on-sr-z-type-hexaferrite-at-room-temperature-1111.5555</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magneto-electric-effects-on-sr-z-type-hexaferrite-at-room-temperature-1111.5555"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magneto-electric-effects-on-sr-z-type-hexaferrite-at-room-temperature-1111.5555"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-supercooled-water-1111.5587</loc><lastmod>2013-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-supercooled-water-1111.5587"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-supercooled-water-1111.5587"/></url>
<url><loc>https://scifaro.com/en/abs/broadband-180-degree-universal-rotation-pulses-for-nmr-spectroscopy-designed-by-optimal-control-1111.6647</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/broadband-180-degree-universal-rotation-pulses-for-nmr-spectroscopy-designed-by-optimal-control-1111.6647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/broadband-180-degree-universal-rotation-pulses-for-nmr-spectroscopy-designed-by-optimal-control-1111.6647"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-classical-trajectories-study-of-ne2br2-b-vibrational-predissociation-kinetics-and-product-distributions-1112.0137</loc><lastmod>2012-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-classical-trajectories-study-of-ne2br2-b-vibrational-predissociation-kinetics-and-product-distributions-1112.0137"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-classical-trajectories-study-of-ne2br2-b-vibrational-predissociation-kinetics-and-product-distributions-1112.0137"/></url>
<url><loc>https://scifaro.com/en/abs/measuring-nonadiabaticity-of-molecular-quantum-dynamics-with-quantum-fidelity-and-with-its-efficient-semiclassical-approximation-1112.0258</loc><lastmod>2012-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-nonadiabaticity-of-molecular-quantum-dynamics-with-quantum-fidelity-and-with-its-efficient-semiclassical-approximation-1112.0258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-nonadiabaticity-of-molecular-quantum-dynamics-with-quantum-fidelity-and-with-its-efficient-semiclassical-approximation-1112.0258"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-the-fine-structure-for-rovibronic-spectral-lines-in-visible-part-of-emission-spectra-of-d-2-1112.0477</loc><lastmod>2013-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-the-fine-structure-for-rovibronic-spectral-lines-in-visible-part-of-emission-spectra-of-d-2-1112.0477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-the-fine-structure-for-rovibronic-spectral-lines-in-visible-part-of-emission-spectra-of-d-2-1112.0477"/></url>
<url><loc>https://scifaro.com/en/abs/bistable-organic-materials-in-optoelectrical-switches-two-electrode-devices-vs-organic-field-effect-transistors-1112.0888</loc><lastmod>2011-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bistable-organic-materials-in-optoelectrical-switches-two-electrode-devices-vs-organic-field-effect-transistors-1112.0888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bistable-organic-materials-in-optoelectrical-switches-two-electrode-devices-vs-organic-field-effect-transistors-1112.0888"/></url>
<url><loc>https://scifaro.com/en/abs/towards-density-and-phase-space-compression-of-molecular-gases-in-magneto-electrostatic-traps-1112.0916</loc><lastmod>2012-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-density-and-phase-space-compression-of-molecular-gases-in-magneto-electrostatic-traps-1112.0916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-density-and-phase-space-compression-of-molecular-gases-in-magneto-electrostatic-traps-1112.0916"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-solution-of-the-time-independent-dirac-equation-for-diatomic-molecules-b-splines-without-spurious-states-1112.1043</loc><lastmod>2012-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-solution-of-the-time-independent-dirac-equation-for-diatomic-molecules-b-splines-without-spurious-states-1112.1043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-solution-of-the-time-independent-dirac-equation-for-diatomic-molecules-b-splines-without-spurious-states-1112.1043"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-dynamics-and-relaxation-in-a-molecular-heterodimer-1112.1202</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-dynamics-and-relaxation-in-a-molecular-heterodimer-1112.1202"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-dynamics-and-relaxation-in-a-molecular-heterodimer-1112.1202"/></url>
<url><loc>https://scifaro.com/en/abs/exchange-parameters-in-the-tcne-based-magnets-as-estimated-with-use-of-the-effective-hamiltonian-crystal-field-method-1112.1362</loc><lastmod>2011-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-parameters-in-the-tcne-based-magnets-as-estimated-with-use-of-the-effective-hamiltonian-crystal-field-method-1112.1362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-parameters-in-the-tcne-based-magnets-as-estimated-with-use-of-the-effective-hamiltonian-crystal-field-method-1112.1362"/></url>
<url><loc>https://scifaro.com/en/abs/exciton-coherence-lifetimes-from-electronic-structure-1112.1665</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exciton-coherence-lifetimes-from-electronic-structure-1112.1665"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exciton-coherence-lifetimes-from-electronic-structure-1112.1665"/></url>
<url><loc>https://scifaro.com/en/abs/can-a-cylindrical-geometry-describe-diffusion-in-a-nanometric-porous-media-1112.1902</loc><lastmod>2011-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-a-cylindrical-geometry-describe-diffusion-in-a-nanometric-porous-media-1112.1902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-a-cylindrical-geometry-describe-diffusion-in-a-nanometric-porous-media-1112.1902"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-the-anisotropy-on-the-glory-structure-of-molecule-molecule-scattering-cross-sections-1112.1925</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-the-anisotropy-on-the-glory-structure-of-molecule-molecule-scattering-cross-sections-1112.1925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-the-anisotropy-on-the-glory-structure-of-molecule-molecule-scattering-cross-sections-1112.1925"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-vibrational-flux-in-bounded-atoms-1112.2005</loc><lastmod>2011-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-vibrational-flux-in-bounded-atoms-1112.2005"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-vibrational-flux-in-bounded-atoms-1112.2005"/></url>
<url><loc>https://scifaro.com/en/abs/new-set-of-experimental-wavenumber-values-for-visible-part-of-emission-spectrum-545-div-627-nm-of-the-d-2-molecule-with-partly-resolved-fine-structure-of-triplet-triplet-rovibronic-transitions-1112.2277</loc><lastmod>2011-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-set-of-experimental-wavenumber-values-for-visible-part-of-emission-spectrum-545-div-627-nm-of-the-d-2-molecule-with-partly-resolved-fine-structure-of-triplet-triplet-rovibronic-transitions-1112.2277"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-set-of-experimental-wavenumber-values-for-visible-part-of-emission-spectrum-545-div-627-nm-of-the-d-2-molecule-with-partly-resolved-fine-structure-of-triplet-triplet-rovibronic-transitions-1112.2277"/></url>
<url><loc>https://scifaro.com/en/abs/spin-blockade-effect-and-coherent-control-of-dna-damage-by-free-radicals-a-proposal-on-bio-spintronics-1112.2733</loc><lastmod>2011-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-blockade-effect-and-coherent-control-of-dna-damage-by-free-radicals-a-proposal-on-bio-spintronics-1112.2733"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-blockade-effect-and-coherent-control-of-dna-damage-by-free-radicals-a-proposal-on-bio-spintronics-1112.2733"/></url>
<url><loc>https://scifaro.com/en/abs/can-a-cylindrical-geometry-describe-reaction-driven-diffusion-in-nanometric-porous-media-1112.3486</loc><lastmod>2011-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-a-cylindrical-geometry-describe-reaction-driven-diffusion-in-nanometric-porous-media-1112.3486"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-a-cylindrical-geometry-describe-reaction-driven-diffusion-in-nanometric-porous-media-1112.3486"/></url>
<url><loc>https://scifaro.com/en/abs/driven-brownian-transport-through-arrays-of-symmetric-obstacles-1112.4341</loc><lastmod>2012-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/driven-brownian-transport-through-arrays-of-symmetric-obstacles-1112.4341"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/driven-brownian-transport-through-arrays-of-symmetric-obstacles-1112.4341"/></url>
<url><loc>https://scifaro.com/en/abs/oep-calculations-using-slater-type-basis-functions-atoms-and-diatomic-molecules-1112.5132</loc><lastmod>2011-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oep-calculations-using-slater-type-basis-functions-atoms-and-diatomic-molecules-1112.5132"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oep-calculations-using-slater-type-basis-functions-atoms-and-diatomic-molecules-1112.5132"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-excitons-using-spherical-geometry-1112.5313</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-excitons-using-spherical-geometry-1112.5313"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-excitons-using-spherical-geometry-1112.5313"/></url>
<url><loc>https://scifaro.com/en/abs/revised-self-consistent-continuum-solvation-in-electronic-structure-calculations-1112.5332</loc><lastmod>2012-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revised-self-consistent-continuum-solvation-in-electronic-structure-calculations-1112.5332"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revised-self-consistent-continuum-solvation-in-electronic-structure-calculations-1112.5332"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-and-conformational-analysis-of-new-derivatives-of-7-chloro-1-3-dihydro-5-phenyl-2h-1-4-benzodiazepine-2-one-1112.5533</loc><lastmod>2012-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-and-conformational-analysis-of-new-derivatives-of-7-chloro-1-3-dihydro-5-phenyl-2h-1-4-benzodiazepine-2-one-1112.5533"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-and-conformational-analysis-of-new-derivatives-of-7-chloro-1-3-dihydro-5-phenyl-2h-1-4-benzodiazepine-2-one-1112.5533"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-scalar-nuclear-spin-spin-coupling-in-van-der-waals-molecules-1112.5644</loc><lastmod>2011-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-scalar-nuclear-spin-spin-coupling-in-van-der-waals-molecules-1112.5644"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-scalar-nuclear-spin-spin-coupling-in-van-der-waals-molecules-1112.5644"/></url>
<url><loc>https://scifaro.com/en/abs/linear-scaling-implementation-of-exact-exchange-using-localized-numerical-orbitals-and-contraction-reduction-integrals-1112.5989</loc><lastmod>2016-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-scaling-implementation-of-exact-exchange-using-localized-numerical-orbitals-and-contraction-reduction-integrals-1112.5989"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-scaling-implementation-of-exact-exchange-using-localized-numerical-orbitals-and-contraction-reduction-integrals-1112.5989"/></url>
<url><loc>https://scifaro.com/en/abs/structures-of-li-doped-alkali-clusters-are-dictated-by-ao-hybridization-1201.0788</loc><lastmod>2012-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structures-of-li-doped-alkali-clusters-are-dictated-by-ao-hybridization-1201.0788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structures-of-li-doped-alkali-clusters-are-dictated-by-ao-hybridization-1201.0788"/></url>
<url><loc>https://scifaro.com/en/abs/zinc-in-a-iii-oxidation-state-1201.1014</loc><lastmod>2012-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zinc-in-a-iii-oxidation-state-1201.1014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zinc-in-a-iii-oxidation-state-1201.1014"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-quantum-classical-liouville-equation-projectors-and-trajectories-1201.1042</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-quantum-classical-liouville-equation-projectors-and-trajectories-1201.1042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-quantum-classical-liouville-equation-projectors-and-trajectories-1201.1042"/></url>
<url><loc>https://scifaro.com/en/abs/parametric-projection-operator-technique-for-second-order-non-linear-response-1201.1117</loc><lastmod>2012-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parametric-projection-operator-technique-for-second-order-non-linear-response-1201.1117"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parametric-projection-operator-technique-for-second-order-non-linear-response-1201.1117"/></url>
<url><loc>https://scifaro.com/en/abs/competition-between-decay-and-dissociation-of-core-excited-ocs-studied-by-x-ray-scattering-1201.1185</loc><lastmod>2012-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/competition-between-decay-and-dissociation-of-core-excited-ocs-studied-by-x-ray-scattering-1201.1185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/competition-between-decay-and-dissociation-of-core-excited-ocs-studied-by-x-ray-scattering-1201.1185"/></url>
<url><loc>https://scifaro.com/en/abs/dependence-of-nuclear-spin-singlet-lifetimes-on-rf-spin-locking-power-1201.1482</loc><lastmod>2015-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dependence-of-nuclear-spin-singlet-lifetimes-on-rf-spin-locking-power-1201.1482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dependence-of-nuclear-spin-singlet-lifetimes-on-rf-spin-locking-power-1201.1482"/></url>
<url><loc>https://scifaro.com/en/abs/transport-properties-of-room-temperature-ionic-liquids-from-classical-molecular-dynamics-1201.1563</loc><lastmod>2012-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transport-properties-of-room-temperature-ionic-liquids-from-classical-molecular-dynamics-1201.1563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transport-properties-of-room-temperature-ionic-liquids-from-classical-molecular-dynamics-1201.1563"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-corrected-hybrid-meta-generalized-gradient-approximations-with-dispersion-corrections-1201.1715</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-corrected-hybrid-meta-generalized-gradient-approximations-with-dispersion-corrections-1201.1715"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-corrected-hybrid-meta-generalized-gradient-approximations-with-dispersion-corrections-1201.1715"/></url>
<url><loc>https://scifaro.com/en/abs/fe3-paramagnetic-ion-in-alpha-al2-o3-energy-levels-revisited-application-to-a-31-ghz-maser-proposal-1201.1760</loc><lastmod>2012-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fe3-paramagnetic-ion-in-alpha-al2-o3-energy-levels-revisited-application-to-a-31-ghz-maser-proposal-1201.1760"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fe3-paramagnetic-ion-in-alpha-al2-o3-energy-levels-revisited-application-to-a-31-ghz-maser-proposal-1201.1760"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-absorption-of-intense-x-rays-by-nitrogen-molecules-1201.1896</loc><lastmod>2015-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-absorption-of-intense-x-rays-by-nitrogen-molecules-1201.1896"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-absorption-of-intense-x-rays-by-nitrogen-molecules-1201.1896"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-oxygen-as-a-site-specific-probe-of-the-structure-of-water-and-oxide-materials-prl-107-144501-2011-1201.1977</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-oxygen-as-a-site-specific-probe-of-the-structure-of-water-and-oxide-materials-prl-107-144501-2011-1201.1977"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-oxygen-as-a-site-specific-probe-of-the-structure-of-water-and-oxide-materials-prl-107-144501-2011-1201.1977"/></url>
<url><loc>https://scifaro.com/en/abs/sensitivity-to-a-possible-variation-of-the-proton-to-electron-mass-ratio-of-torsion-wagging-rotation-transitions-in-methylamine-ch3nh2-1201.2090</loc><lastmod>2015-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sensitivity-to-a-possible-variation-of-the-proton-to-electron-mass-ratio-of-torsion-wagging-rotation-transitions-in-methylamine-ch3nh2-1201.2090"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sensitivity-to-a-possible-variation-of-the-proton-to-electron-mass-ratio-of-torsion-wagging-rotation-transitions-in-methylamine-ch3nh2-1201.2090"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-the-solvent-dependent-photoluminescence-lineshapes-in-2-2-bithienyl-substituted-4h-1-2-6-thiadiazin-4-one-1201.2273</loc><lastmod>2012-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-the-solvent-dependent-photoluminescence-lineshapes-in-2-2-bithienyl-substituted-4h-1-2-6-thiadiazin-4-one-1201.2273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-the-solvent-dependent-photoluminescence-lineshapes-in-2-2-bithienyl-substituted-4h-1-2-6-thiadiazin-4-one-1201.2273"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dynamics-of-proton-migration-in-h2o-dications-formation-of-h2-on-ultrafast-timescales-1201.2537</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamics-of-proton-migration-in-h2o-dications-formation-of-h2-on-ultrafast-timescales-1201.2537"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamics-of-proton-migration-in-h2o-dications-formation-of-h2-on-ultrafast-timescales-1201.2537"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-vs-electronic-coherences-in-2d-spectrum-of-molecular-systems-1201.2753</loc><lastmod>2012-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-vs-electronic-coherences-in-2d-spectrum-of-molecular-systems-1201.2753"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-vs-electronic-coherences-in-2d-spectrum-of-molecular-systems-1201.2753"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-regimes-of-high-burn-up-nuclear-fuel-rod-1201.2951</loc><lastmod>2012-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-regimes-of-high-burn-up-nuclear-fuel-rod-1201.2951"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-regimes-of-high-burn-up-nuclear-fuel-rod-1201.2951"/></url>
<url><loc>https://scifaro.com/en/abs/perspective-on-density-functional-theory-1201.3679</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perspective-on-density-functional-theory-1201.3679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perspective-on-density-functional-theory-1201.3679"/></url>
<url><loc>https://scifaro.com/en/abs/permeation-of-low-z-atoms-through-carbon-sheets-density-functional-theory-study-on-energy-barriers-and-deformation-effects-1201.4014</loc><lastmod>2012-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/permeation-of-low-z-atoms-through-carbon-sheets-density-functional-theory-study-on-energy-barriers-and-deformation-effects-1201.4014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/permeation-of-low-z-atoms-through-carbon-sheets-density-functional-theory-study-on-energy-barriers-and-deformation-effects-1201.4014"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-extending-and-reconstructing-of-classical-theoretical-framework-1201.4284</loc><lastmod>2025-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-extending-and-reconstructing-of-classical-theoretical-framework-1201.4284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-extending-and-reconstructing-of-classical-theoretical-framework-1201.4284"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-with-fractional-orbital-occupations-1201.4866</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-with-fractional-orbital-occupations-1201.4866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-with-fractional-orbital-occupations-1201.4866"/></url>
<url><loc>https://scifaro.com/en/abs/aqueous-solvation-of-methane-from-first-principles-1201.5200</loc><lastmod>2012-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/aqueous-solvation-of-methane-from-first-principles-1201.5200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/aqueous-solvation-of-methane-from-first-principles-1201.5200"/></url>
<url><loc>https://scifaro.com/en/abs/optical-detection-of-single-non-absorbing-molecules-using-the-surface-plasmon-of-a-gold-nanorod-1201.5777</loc><lastmod>2012-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-detection-of-single-non-absorbing-molecules-using-the-surface-plasmon-of-a-gold-nanorod-1201.5777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-detection-of-single-non-absorbing-molecules-using-the-surface-plasmon-of-a-gold-nanorod-1201.5777"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-molecular-dynamics-1201.5945</loc><lastmod>2014-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-1201.5945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-1201.5945"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-exchange-energy-and-total-energy-for-excited-states-inclusion-of-gradient-correction-1201.5970</loc><lastmod>2012-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-exchange-energy-and-total-energy-for-excited-states-inclusion-of-gradient-correction-1201.5970"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-exchange-energy-and-total-energy-for-excited-states-inclusion-of-gradient-correction-1201.5970"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-self-consistent-alpha-method-to-improve-the-performance-of-model-exchange-potentials-1201.6038</loc><lastmod>2012-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-self-consistent-alpha-method-to-improve-the-performance-of-model-exchange-potentials-1201.6038"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-self-consistent-alpha-method-to-improve-the-performance-of-model-exchange-potentials-1201.6038"/></url>
<url><loc>https://scifaro.com/en/abs/ionization-potentials-and-electron-affinities-from-reduced-density-matrix-functional-theory-1201.6237</loc><lastmod>2012-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionization-potentials-and-electron-affinities-from-reduced-density-matrix-functional-theory-1201.6237"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionization-potentials-and-electron-affinities-from-reduced-density-matrix-functional-theory-1201.6237"/></url>
<url><loc>https://scifaro.com/en/abs/a-cluster-theory-for-a-janus-fluid-1201.6256</loc><lastmod>2012-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-cluster-theory-for-a-janus-fluid-1201.6256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-cluster-theory-for-a-janus-fluid-1201.6256"/></url>
<url><loc>https://scifaro.com/en/abs/on-calculation-of-thermal-conductivity-from-einstein-relation-in-equilibrium-md-1201.6684</loc><lastmod>2016-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-calculation-of-thermal-conductivity-from-einstein-relation-in-equilibrium-md-1201.6684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-calculation-of-thermal-conductivity-from-einstein-relation-in-equilibrium-md-1201.6684"/></url>
<url><loc>https://scifaro.com/en/abs/approaching-chemical-accuracy-with-quantum-monte-carlo-1202.0317</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approaching-chemical-accuracy-with-quantum-monte-carlo-1202.0317"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approaching-chemical-accuracy-with-quantum-monte-carlo-1202.0317"/></url>
<url><loc>https://scifaro.com/en/abs/harmonically-trapped-jellium-1202.0573</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/harmonically-trapped-jellium-1202.0573"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/harmonically-trapped-jellium-1202.0573"/></url>
<url><loc>https://scifaro.com/en/abs/non-isomorphic-nucleation-pathways-arising-from-morphological-transitions-of-liquid-channels-1202.0843</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-isomorphic-nucleation-pathways-arising-from-morphological-transitions-of-liquid-channels-1202.0843"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-isomorphic-nucleation-pathways-arising-from-morphological-transitions-of-liquid-channels-1202.0843"/></url>
<url><loc>https://scifaro.com/en/abs/uniform-electron-gases-1202.1092</loc><lastmod>2012-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uniform-electron-gases-1202.1092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uniform-electron-gases-1202.1092"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-continuum-mechanics-made-simple-1202.1380</loc><lastmod>2012-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-continuum-mechanics-made-simple-1202.1380"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-continuum-mechanics-made-simple-1202.1380"/></url>
<url><loc>https://scifaro.com/en/abs/identification-of-the-atomic-scale-structures-of-the-gold-thiol-interfaces-of-molecular-nanowires-by-inelastic-tunneling-spectroscopy-1202.1821</loc><lastmod>2012-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-of-the-atomic-scale-structures-of-the-gold-thiol-interfaces-of-molecular-nanowires-by-inelastic-tunneling-spectroscopy-1202.1821"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-of-the-atomic-scale-structures-of-the-gold-thiol-interfaces-of-molecular-nanowires-by-inelastic-tunneling-spectroscopy-1202.1821"/></url>
<url><loc>https://scifaro.com/en/abs/capillary-condensation-freezing-and-melting-in-silica-nanopores-a-sorption-isotherm-and-scanning-calorimetry-study-on-nitrogen-in-mesoporous-sba-15-1202.1835</loc><lastmod>2012-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/capillary-condensation-freezing-and-melting-in-silica-nanopores-a-sorption-isotherm-and-scanning-calorimetry-study-on-nitrogen-in-mesoporous-sba-15-1202.1835"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/capillary-condensation-freezing-and-melting-in-silica-nanopores-a-sorption-isotherm-and-scanning-calorimetry-study-on-nitrogen-in-mesoporous-sba-15-1202.1835"/></url>
<url><loc>https://scifaro.com/en/abs/size-of-nanoobjects-in-oil-and-gas-species-and-materials-with-positron-annihilation-spectroscopy-1202.2266</loc><lastmod>2013-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-of-nanoobjects-in-oil-and-gas-species-and-materials-with-positron-annihilation-spectroscopy-1202.2266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-of-nanoobjects-in-oil-and-gas-species-and-materials-with-positron-annihilation-spectroscopy-1202.2266"/></url>
<url><loc>https://scifaro.com/en/abs/seeking-for-reliable-double-hybrid-density-functionals-without-fitting-parameters-the-pbe0-2-functional-1202.2574</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/seeking-for-reliable-double-hybrid-density-functionals-without-fitting-parameters-the-pbe0-2-functional-1202.2574"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/seeking-for-reliable-double-hybrid-density-functionals-without-fitting-parameters-the-pbe0-2-functional-1202.2574"/></url>
<url><loc>https://scifaro.com/en/abs/nature-of-hydrogen-bond-in-water-1202.3035</loc><lastmod>2012-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nature-of-hydrogen-bond-in-water-1202.3035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nature-of-hydrogen-bond-in-water-1202.3035"/></url>
<url><loc>https://scifaro.com/en/abs/preparation-and-characterization-of-metal-free-graphitic-carbon-nitride-film-photocathodes-for-light-induced-hydrogen-evolution-1202.3266</loc><lastmod>2012-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/preparation-and-characterization-of-metal-free-graphitic-carbon-nitride-film-photocathodes-for-light-induced-hydrogen-evolution-1202.3266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/preparation-and-characterization-of-metal-free-graphitic-carbon-nitride-film-photocathodes-for-light-induced-hydrogen-evolution-1202.3266"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-coupled-cluster-calculations-of-spectroscopic-and-chemical-properties-for-element-120-1202.3527</loc><lastmod>2013-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-coupled-cluster-calculations-of-spectroscopic-and-chemical-properties-for-element-120-1202.3527"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-coupled-cluster-calculations-of-spectroscopic-and-chemical-properties-for-element-120-1202.3527"/></url>
<url><loc>https://scifaro.com/en/abs/multiscale-non-adiabatic-dynamics-with-radiative-decay-case-study-on-the-post-ionization-fragmentation-of-rare-gas-tetramers-1202.3846</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-non-adiabatic-dynamics-with-radiative-decay-case-study-on-the-post-ionization-fragmentation-of-rare-gas-tetramers-1202.3846"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-non-adiabatic-dynamics-with-radiative-decay-case-study-on-the-post-ionization-fragmentation-of-rare-gas-tetramers-1202.3846"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-optical-chemical-shift-by-precision-nuclear-spin-optical-rotation-measurements-and-calculations-1202.4241</loc><lastmod>2012-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-optical-chemical-shift-by-precision-nuclear-spin-optical-rotation-measurements-and-calculations-1202.4241"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-optical-chemical-shift-by-precision-nuclear-spin-optical-rotation-measurements-and-calculations-1202.4241"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-stillinger-david-potential-1202.4491</loc><lastmod>2012-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-stillinger-david-potential-1202.4491"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-stillinger-david-potential-1202.4491"/></url>
<url><loc>https://scifaro.com/en/abs/multipartite-quantum-entanglement-evolution-in-photosynthetic-complexes-1202.4519</loc><lastmod>2012-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multipartite-quantum-entanglement-evolution-in-photosynthetic-complexes-1202.4519"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multipartite-quantum-entanglement-evolution-in-photosynthetic-complexes-1202.4519"/></url>
<url><loc>https://scifaro.com/en/abs/total-angular-momentum-representation-for-atom-molecule-collisions-in-electric-fields-1202.4531</loc><lastmod>2012-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/total-angular-momentum-representation-for-atom-molecule-collisions-in-electric-fields-1202.4531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/total-angular-momentum-representation-for-atom-molecule-collisions-in-electric-fields-1202.4531"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-computationally-efficient-isomerization-dynamics-delta-scf-density-functional-theory-study-of-azobenzene-molecular-switching-1202.4671</loc><lastmod>2012-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-computationally-efficient-isomerization-dynamics-delta-scf-density-functional-theory-study-of-azobenzene-molecular-switching-1202.4671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-computationally-efficient-isomerization-dynamics-delta-scf-density-functional-theory-study-of-azobenzene-molecular-switching-1202.4671"/></url>
<url><loc>https://scifaro.com/en/abs/interaction-of-copernicium-with-gold-assessment-of-applicability-of-simple-density-functional-theories-1202.4723</loc><lastmod>2012-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interaction-of-copernicium-with-gold-assessment-of-applicability-of-simple-density-functional-theories-1202.4723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interaction-of-copernicium-with-gold-assessment-of-applicability-of-simple-density-functional-theories-1202.4723"/></url>
<url><loc>https://scifaro.com/en/abs/the-effective-fragment-molecular-orbital-method-for-fragments-connected-by-covalent-bonds-1202.4935</loc><lastmod>2012-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effective-fragment-molecular-orbital-method-for-fragments-connected-by-covalent-bonds-1202.4935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effective-fragment-molecular-orbital-method-for-fragments-connected-by-covalent-bonds-1202.4935"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-instability-and-runaway-criteria-the-dangers-of-disregarding-dynamics-1202.5550</loc><lastmod>2012-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-instability-and-runaway-criteria-the-dangers-of-disregarding-dynamics-1202.5550"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-instability-and-runaway-criteria-the-dangers-of-disregarding-dynamics-1202.5550"/></url>
<url><loc>https://scifaro.com/en/abs/exciton-transport-in-thin-film-cyanine-dye-j-aggregates-1202.5712</loc><lastmod>2012-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exciton-transport-in-thin-film-cyanine-dye-j-aggregates-1202.5712"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exciton-transport-in-thin-film-cyanine-dye-j-aggregates-1202.5712"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-discontinuities-in-kohn-sham-based-chemical-reactivity-theory-1202.5764</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-discontinuities-in-kohn-sham-based-chemical-reactivity-theory-1202.5764"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-discontinuities-in-kohn-sham-based-chemical-reactivity-theory-1202.5764"/></url>
<url><loc>https://scifaro.com/en/abs/breaking-the-mode-degeneracy-of-surface-plasmon-resonances-in-a-triangular-system-1202.5876</loc><lastmod>2012-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/breaking-the-mode-degeneracy-of-surface-plasmon-resonances-in-a-triangular-system-1202.5876"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/breaking-the-mode-degeneracy-of-surface-plasmon-resonances-in-a-triangular-system-1202.5876"/></url>
<url><loc>https://scifaro.com/en/abs/sac-ci-calculation-of-a-series-of-the-lowest-2-pi-states-of-hcl-and-hbr-ions-1202.6220</loc><lastmod>2012-02-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sac-ci-calculation-of-a-series-of-the-lowest-2-pi-states-of-hcl-and-hbr-ions-1202.6220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sac-ci-calculation-of-a-series-of-the-lowest-2-pi-states-of-hcl-and-hbr-ions-1202.6220"/></url>
<url><loc>https://scifaro.com/en/abs/current-induced-membrane-discharge-1202.6448</loc><lastmod>2013-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/current-induced-membrane-discharge-1202.6448"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/current-induced-membrane-discharge-1202.6448"/></url>
<url><loc>https://scifaro.com/en/abs/reduction-of-copper-oxide-by-formic-acid-an-ab-initio-study-1203.1163</loc><lastmod>2012-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduction-of-copper-oxide-by-formic-acid-an-ab-initio-study-1203.1163"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduction-of-copper-oxide-by-formic-acid-an-ab-initio-study-1203.1163"/></url>
<url><loc>https://scifaro.com/en/abs/critical-reinvestigation-on-vibronic-couplings-in-picene-from-view-of-vibronic-coupling-density-analysis-1203.2013</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/critical-reinvestigation-on-vibronic-couplings-in-picene-from-view-of-vibronic-coupling-density-analysis-1203.2013"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/critical-reinvestigation-on-vibronic-couplings-in-picene-from-view-of-vibronic-coupling-density-analysis-1203.2013"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-orbital-overlap-dependence-in-density-functionals-1203.2308</loc><lastmod>2012-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-orbital-overlap-dependence-in-density-functionals-1203.2308"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-orbital-overlap-dependence-in-density-functionals-1203.2308"/></url>
<url><loc>https://scifaro.com/en/abs/a-computational-methodology-to-screen-activities-of-enzyme-variants-1203.2950</loc><lastmod>2013-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-computational-methodology-to-screen-activities-of-enzyme-variants-1203.2950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-computational-methodology-to-screen-activities-of-enzyme-variants-1203.2950"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-photo-induced-charge-transfer-unveiled-by-two-dimensional-electronic-spectroscopy-1203.3075</loc><lastmod>2013-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-photo-induced-charge-transfer-unveiled-by-two-dimensional-electronic-spectroscopy-1203.3075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-photo-induced-charge-transfer-unveiled-by-two-dimensional-electronic-spectroscopy-1203.3075"/></url>
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<url><loc>https://scifaro.com/en/abs/specific-features-of-motion-of-cations-and-anions-in-electrolyte-solutions-1203.3844</loc><lastmod>2012-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/specific-features-of-motion-of-cations-and-anions-in-electrolyte-solutions-1203.3844"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/specific-features-of-motion-of-cations-and-anions-in-electrolyte-solutions-1203.3844"/></url>
<url><loc>https://scifaro.com/en/abs/small-open-chemical-systems-theory-and-its-implications-to-darwinian-evolutionary-dynamics-complex-self-organization-and-beyond-1203.3874</loc><lastmod>2014-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/small-open-chemical-systems-theory-and-its-implications-to-darwinian-evolutionary-dynamics-complex-self-organization-and-beyond-1203.3874"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/small-open-chemical-systems-theory-and-its-implications-to-darwinian-evolutionary-dynamics-complex-self-organization-and-beyond-1203.3874"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-ab-initio-spin-densities-1203.3888</loc><lastmod>2012-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-ab-initio-spin-densities-1203.3888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-ab-initio-spin-densities-1203.3888"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-born-oppenheimer-potential-for-heh-1203.3927</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-born-oppenheimer-potential-for-heh-1203.3927"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-born-oppenheimer-potential-for-heh-1203.3927"/></url>
<url><loc>https://scifaro.com/en/abs/computational-methodologies-and-physical-insights-into-electronic-energy-transfer-in-photosynthetic-light-harvesting-complexes-1203.3978</loc><lastmod>2012-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-methodologies-and-physical-insights-into-electronic-energy-transfer-in-photosynthetic-light-harvesting-complexes-1203.3978"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-methodologies-and-physical-insights-into-electronic-energy-transfer-in-photosynthetic-light-harvesting-complexes-1203.3978"/></url>
<url><loc>https://scifaro.com/en/abs/rovibrational-dynamics-of-the-strontium-molecule-in-the-a-1-sigma-u-c-3-pi-u-and-a-3-sigma-u-manifold-from-state-of-the-art-ab-initio-calculations-1203.4524</loc><lastmod>2012-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rovibrational-dynamics-of-the-strontium-molecule-in-the-a-1-sigma-u-c-3-pi-u-and-a-3-sigma-u-manifold-from-state-of-the-art-ab-initio-calculations-1203.4524"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rovibrational-dynamics-of-the-strontium-molecule-in-the-a-1-sigma-u-c-3-pi-u-and-a-3-sigma-u-manifold-from-state-of-the-art-ab-initio-calculations-1203.4524"/></url>
<url><loc>https://scifaro.com/en/abs/determination-of-the-forms-of-calcium-present-in-coal-chars-by-ca-k-edge-xanes-with-synchrotron-radiation-1203.5332</loc><lastmod>2012-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determination-of-the-forms-of-calcium-present-in-coal-chars-by-ca-k-edge-xanes-with-synchrotron-radiation-1203.5332"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determination-of-the-forms-of-calcium-present-in-coal-chars-by-ca-k-edge-xanes-with-synchrotron-radiation-1203.5332"/></url>
<url><loc>https://scifaro.com/en/abs/an-effective-hamiltonian-for-symmetric-diarylmethanes-from-a-series-of-analogous-quantum-chemical-models-1203.5580</loc><lastmod>2012-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-effective-hamiltonian-for-symmetric-diarylmethanes-from-a-series-of-analogous-quantum-chemical-models-1203.5580"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-effective-hamiltonian-for-symmetric-diarylmethanes-from-a-series-of-analogous-quantum-chemical-models-1203.5580"/></url>
<url><loc>https://scifaro.com/en/abs/monomer-basis-representation-method-for-calculating-the-spectra-of-molecular-clusters-i-the-method-and-qualitative-models-1203.5916</loc><lastmod>2012-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monomer-basis-representation-method-for-calculating-the-spectra-of-molecular-clusters-i-the-method-and-qualitative-models-1203.5916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monomer-basis-representation-method-for-calculating-the-spectra-of-molecular-clusters-i-the-method-and-qualitative-models-1203.5916"/></url>
<url><loc>https://scifaro.com/en/abs/monomer-basis-representation-method-for-calculating-the-spectra-of-molecular-clusters-ii-application-to-water-dimer-1203.5923</loc><lastmod>2012-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monomer-basis-representation-method-for-calculating-the-spectra-of-molecular-clusters-ii-application-to-water-dimer-1203.5923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monomer-basis-representation-method-for-calculating-the-spectra-of-molecular-clusters-ii-application-to-water-dimer-1203.5923"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-mechanical-results-of-the-matrix-elements-of-the-boltzmann-operator-obtained-from-series-representations-1203.5942</loc><lastmod>2012-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-mechanical-results-of-the-matrix-elements-of-the-boltzmann-operator-obtained-from-series-representations-1203.5942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-mechanical-results-of-the-matrix-elements-of-the-boltzmann-operator-obtained-from-series-representations-1203.5942"/></url>
<url><loc>https://scifaro.com/en/abs/control-and-femtosecond-time-resolved-imaging-of-torsion-in-a-chiral-molecule-1203.5984</loc><lastmod>2012-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/control-and-femtosecond-time-resolved-imaging-of-torsion-in-a-chiral-molecule-1203.5984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/control-and-femtosecond-time-resolved-imaging-of-torsion-in-a-chiral-molecule-1203.5984"/></url>
<url><loc>https://scifaro.com/en/abs/a-nonlinear-equation-for-ionic-diffusion-in-a-strong-binary-electrolyte-1203.6010</loc><lastmod>2012-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-nonlinear-equation-for-ionic-diffusion-in-a-strong-binary-electrolyte-1203.6010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-nonlinear-equation-for-ionic-diffusion-in-a-strong-binary-electrolyte-1203.6010"/></url>
<url><loc>https://scifaro.com/en/abs/new-method-for-quantitative-determination-of-volatile-compounds-in-spirit-drinks-by-gas-chromatography-ethanol-as-internal-standard-1203.6202</loc><lastmod>2012-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-method-for-quantitative-determination-of-volatile-compounds-in-spirit-drinks-by-gas-chromatography-ethanol-as-internal-standard-1203.6202"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-method-for-quantitative-determination-of-volatile-compounds-in-spirit-drinks-by-gas-chromatography-ethanol-as-internal-standard-1203.6202"/></url>
<url><loc>https://scifaro.com/en/abs/propagation-of-initially-excited-states-in-time-dependent-density-functional-theory-1203.6856</loc><lastmod>2012-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/propagation-of-initially-excited-states-in-time-dependent-density-functional-theory-1203.6856"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/propagation-of-initially-excited-states-in-time-dependent-density-functional-theory-1203.6856"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-quantum-nuclei-and-local-fields-in-the-x-ray-absorption-spectra-of-water-and-ice-1204.0268</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-quantum-nuclei-and-local-fields-in-the-x-ray-absorption-spectra-of-water-and-ice-1204.0268"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-quantum-nuclei-and-local-fields-in-the-x-ray-absorption-spectra-of-water-and-ice-1204.0268"/></url>
<url><loc>https://scifaro.com/en/abs/conjugation-in-hydrogen-bonded-systems-1204.0422</loc><lastmod>2024-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conjugation-in-hydrogen-bonded-systems-1204.0422"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conjugation-in-hydrogen-bonded-systems-1204.0422"/></url>
<url><loc>https://scifaro.com/en/abs/pulsed-rotating-supersonic-source-used-with-merged-molecular-beams-1204.1029</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pulsed-rotating-supersonic-source-used-with-merged-molecular-beams-1204.1029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pulsed-rotating-supersonic-source-used-with-merged-molecular-beams-1204.1029"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-density-functional-approximations-for-the-hemibonded-structure-of-water-dimer-radical-cation-1204.1522</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-density-functional-approximations-for-the-hemibonded-structure-of-water-dimer-radical-cation-1204.1522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-density-functional-approximations-for-the-hemibonded-structure-of-water-dimer-radical-cation-1204.1522"/></url>
<url><loc>https://scifaro.com/en/abs/characterisation-of-polystyrene-coatings-after-plasma-immersion-ion-implantation-and-adsorption-of-protein-1204.2068</loc><lastmod>2012-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterisation-of-polystyrene-coatings-after-plasma-immersion-ion-implantation-and-adsorption-of-protein-1204.2068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterisation-of-polystyrene-coatings-after-plasma-immersion-ion-implantation-and-adsorption-of-protein-1204.2068"/></url>
<url><loc>https://scifaro.com/en/abs/a-transferable-ab-initio-based-force-field-for-aqueous-ions-1204.2084</loc><lastmod>2012-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-transferable-ab-initio-based-force-field-for-aqueous-ions-1204.2084"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-transferable-ab-initio-based-force-field-for-aqueous-ions-1204.2084"/></url>
<url><loc>https://scifaro.com/en/abs/is-photoisomerization-of-stilbene-in-solution-directly-promoted-by-solvent-collisions-1204.2142</loc><lastmod>2012-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-photoisomerization-of-stilbene-in-solution-directly-promoted-by-solvent-collisions-1204.2142"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-photoisomerization-of-stilbene-in-solution-directly-promoted-by-solvent-collisions-1204.2142"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-vibron-dressing-in-the-alpha-helicoidal-macromolecular-chains-1204.2243</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-vibron-dressing-in-the-alpha-helicoidal-macromolecular-chains-1204.2243"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-vibron-dressing-in-the-alpha-helicoidal-macromolecular-chains-1204.2243"/></url>
<url><loc>https://scifaro.com/en/abs/photo-driven-molecular-wankel-engine-b-13-1204.2505</loc><lastmod>2012-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photo-driven-molecular-wankel-engine-b-13-1204.2505"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photo-driven-molecular-wankel-engine-b-13-1204.2505"/></url>
<url><loc>https://scifaro.com/en/abs/making-the-best-of-mixed-field-orientation-of-polar-molecules-a-recipe-for-achieving-adiabatic-dynamics-in-an-electrostatic-field-combined-with-laser-pulses-1204.2685</loc><lastmod>2012-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/making-the-best-of-mixed-field-orientation-of-polar-molecules-a-recipe-for-achieving-adiabatic-dynamics-in-an-electrostatic-field-combined-with-laser-pulses-1204.2685"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/making-the-best-of-mixed-field-orientation-of-polar-molecules-a-recipe-for-achieving-adiabatic-dynamics-in-an-electrostatic-field-combined-with-laser-pulses-1204.2685"/></url>
<url><loc>https://scifaro.com/en/abs/local-relativistic-exact-decoupling-1204.2770</loc><lastmod>2012-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-relativistic-exact-decoupling-1204.2770"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-relativistic-exact-decoupling-1204.2770"/></url>
<url><loc>https://scifaro.com/en/abs/diffusion-in-evaporating-polymer-solutions-a-model-in-the-dissipative-formalism-of-nonequilibrium-thermodynamics-1204.2814</loc><lastmod>2012-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffusion-in-evaporating-polymer-solutions-a-model-in-the-dissipative-formalism-of-nonequilibrium-thermodynamics-1204.2814"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffusion-in-evaporating-polymer-solutions-a-model-in-the-dissipative-formalism-of-nonequilibrium-thermodynamics-1204.2814"/></url>
<url><loc>https://scifaro.com/en/abs/structural-electronic-and-vibrational-properties-of-amino-adamantane-and-rimantadine-isomers-1204.2878</loc><lastmod>2012-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-electronic-and-vibrational-properties-of-amino-adamantane-and-rimantadine-isomers-1204.2878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-electronic-and-vibrational-properties-of-amino-adamantane-and-rimantadine-isomers-1204.2878"/></url>
<url><loc>https://scifaro.com/en/abs/nonequilibrium-thermodynamics-of-porous-electrodes-1204.2934</loc><lastmod>2012-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonequilibrium-thermodynamics-of-porous-electrodes-1204.2934"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonequilibrium-thermodynamics-of-porous-electrodes-1204.2934"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-contact-angle-between-water-droplets-and-graphite-surfaces-1204.3715</loc><lastmod>2012-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-contact-angle-between-water-droplets-and-graphite-surfaces-1204.3715"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-contact-angle-between-water-droplets-and-graphite-surfaces-1204.3715"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-alkyl-substituents-on-the-adsorption-of-thienylenevinylene-oligomers-on-the-si-100-surface-1204.3983</loc><lastmod>2012-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-alkyl-substituents-on-the-adsorption-of-thienylenevinylene-oligomers-on-the-si-100-surface-1204.3983"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-alkyl-substituents-on-the-adsorption-of-thienylenevinylene-oligomers-on-the-si-100-surface-1204.3983"/></url>
<url><loc>https://scifaro.com/en/abs/adsorption-behavior-of-conjugated-c-3-oligomers-on-si-100-and-hopg-surfaces-1204.3984</loc><lastmod>2012-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adsorption-behavior-of-conjugated-c-3-oligomers-on-si-100-and-hopg-surfaces-1204.3984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adsorption-behavior-of-conjugated-c-3-oligomers-on-si-100-and-hopg-surfaces-1204.3984"/></url>
<url><loc>https://scifaro.com/en/abs/decelerating-molecules-with-microwave-fields-1204.4019</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decelerating-molecules-with-microwave-fields-1204.4019"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decelerating-molecules-with-microwave-fields-1204.4019"/></url>
<url><loc>https://scifaro.com/en/abs/extending-the-newns-anderson-model-to-allow-nanotransport-studies-through-molecules-with-floppy-degrees-of-freedom-1204.4023</loc><lastmod>2012-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extending-the-newns-anderson-model-to-allow-nanotransport-studies-through-molecules-with-floppy-degrees-of-freedom-1204.4023"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extending-the-newns-anderson-model-to-allow-nanotransport-studies-through-molecules-with-floppy-degrees-of-freedom-1204.4023"/></url>
<url><loc>https://scifaro.com/en/abs/open-quantum-system-approach-to-the-modeling-of-spin-recombination-reactions-1204.4634</loc><lastmod>2012-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/open-quantum-system-approach-to-the-modeling-of-spin-recombination-reactions-1204.4634"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/open-quantum-system-approach-to-the-modeling-of-spin-recombination-reactions-1204.4634"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-nmr-chemical-shift-in-an-electronic-state-with-arbitrary-degeneracy-1204.4980</loc><lastmod>2012-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-nmr-chemical-shift-in-an-electronic-state-with-arbitrary-degeneracy-1204.4980"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-nmr-chemical-shift-in-an-electronic-state-with-arbitrary-degeneracy-1204.4980"/></url>
<url><loc>https://scifaro.com/en/abs/population-and-coherence-dynamics-in-light-harvesting-complex-ii-lh2-1204.5262</loc><lastmod>2012-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/population-and-coherence-dynamics-in-light-harvesting-complex-ii-lh2-1204.5262"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/population-and-coherence-dynamics-in-light-harvesting-complex-ii-lh2-1204.5262"/></url>
<url><loc>https://scifaro.com/en/abs/sticky-steps-inhibit-step-motions-near-equilibrium-1204.5574</loc><lastmod>2017-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sticky-steps-inhibit-step-motions-near-equilibrium-1204.5574"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sticky-steps-inhibit-step-motions-near-equilibrium-1204.5574"/></url>
<url><loc>https://scifaro.com/en/abs/exchange-correlation-asymptotics-and-high-harmonic-spectra-1204.5692</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-correlation-asymptotics-and-high-harmonic-spectra-1204.5692"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-correlation-asymptotics-and-high-harmonic-spectra-1204.5692"/></url>
<url><loc>https://scifaro.com/en/abs/two-dimensional-stimulated-resonance-raman-spectroscopy-of-molecules-with-broadband-x-ray-pulses-1204.5795</loc><lastmod>2012-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-stimulated-resonance-raman-spectroscopy-of-molecules-with-broadband-x-ray-pulses-1204.5795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-stimulated-resonance-raman-spectroscopy-of-molecules-with-broadband-x-ray-pulses-1204.5795"/></url>
<url><loc>https://scifaro.com/en/abs/biofet-sim-web-interface-implementation-and-two-applications-1204.6140</loc><lastmod>2013-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/biofet-sim-web-interface-implementation-and-two-applications-1204.6140"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/biofet-sim-web-interface-implementation-and-two-applications-1204.6140"/></url>
<url><loc>https://scifaro.com/en/abs/bayesian-approach-to-electron-correlation-in-density-functional-theory-1205.0099</loc><lastmod>2012-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bayesian-approach-to-electron-correlation-in-density-functional-theory-1205.0099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bayesian-approach-to-electron-correlation-in-density-functional-theory-1205.0099"/></url>
<url><loc>https://scifaro.com/en/abs/dephasing-by-a-continuous-time-random-walk-process-1205.0296</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dephasing-by-a-continuous-time-random-walk-process-1205.0296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dephasing-by-a-continuous-time-random-walk-process-1205.0296"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-verification-of-the-chemical-sensitivity-of-two-site-double-core-hole-states-formed-by-an-x-ray-fel-1205.0423</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-verification-of-the-chemical-sensitivity-of-two-site-double-core-hole-states-formed-by-an-x-ray-fel-1205.0423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-verification-of-the-chemical-sensitivity-of-two-site-double-core-hole-states-formed-by-an-x-ray-fel-1205.0423"/></url>
<url><loc>https://scifaro.com/en/abs/ehrenfest-dynamics-is-purity-non-preserving-a-necessary-ingredient-for-decoherence-1205.0885</loc><lastmod>2012-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ehrenfest-dynamics-is-purity-non-preserving-a-necessary-ingredient-for-decoherence-1205.0885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ehrenfest-dynamics-is-purity-non-preserving-a-necessary-ingredient-for-decoherence-1205.0885"/></url>
<url><loc>https://scifaro.com/en/abs/approximate-l-state-solution-of-the-rotating-trigonometric-p-oschl-teller-potential-1205.0941</loc><lastmod>2012-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximate-l-state-solution-of-the-rotating-trigonometric-p-oschl-teller-potential-1205.0941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximate-l-state-solution-of-the-rotating-trigonometric-p-oschl-teller-potential-1205.0941"/></url>
<url><loc>https://scifaro.com/en/abs/atlas-and-wavenumber-tables-for-visible-part-of-the-rovibronic-multiline-emission-spectrum-of-the-d-2-molecule-i-wavenumber-range-23894-div-18161-cm-1-measured-with-moderate-resolution-1205.0955</loc><lastmod>2012-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atlas-and-wavenumber-tables-for-visible-part-of-the-rovibronic-multiline-emission-spectrum-of-the-d-2-molecule-i-wavenumber-range-23894-div-18161-cm-1-measured-with-moderate-resolution-1205.0955"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atlas-and-wavenumber-tables-for-visible-part-of-the-rovibronic-multiline-emission-spectrum-of-the-d-2-molecule-i-wavenumber-range-23894-div-18161-cm-1-measured-with-moderate-resolution-1205.0955"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-dynamics-in-open-quantum-classical-systems-forward-backward-trajectory-solution-1205.1283</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-dynamics-in-open-quantum-classical-systems-forward-backward-trajectory-solution-1205.1283"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-dynamics-in-open-quantum-classical-systems-forward-backward-trajectory-solution-1205.1283"/></url>
<url><loc>https://scifaro.com/en/abs/modification-of-the-gay-berne-potential-for-improved-accuracy-and-speed-1205.1314</loc><lastmod>2012-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modification-of-the-gay-berne-potential-for-improved-accuracy-and-speed-1205.1314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modification-of-the-gay-berne-potential-for-improved-accuracy-and-speed-1205.1314"/></url>
<url><loc>https://scifaro.com/en/abs/the-structure-of-colloidosomes-with-tunable-particle-density-simulation-vs-experiment-1205.1743</loc><lastmod>2012-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-structure-of-colloidosomes-with-tunable-particle-density-simulation-vs-experiment-1205.1743"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-structure-of-colloidosomes-with-tunable-particle-density-simulation-vs-experiment-1205.1743"/></url>
<url><loc>https://scifaro.com/en/abs/about-diffusion-in-porous-medium-the-role-of-the-correlation-length-1205.1993</loc><lastmod>2012-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/about-diffusion-in-porous-medium-the-role-of-the-correlation-length-1205.1993"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/about-diffusion-in-porous-medium-the-role-of-the-correlation-length-1205.1993"/></url>
<url><loc>https://scifaro.com/en/abs/the-lowest-excited-configuration-of-harmonium-1205.2038</loc><lastmod>2013-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-lowest-excited-configuration-of-harmonium-1205.2038"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-lowest-excited-configuration-of-harmonium-1205.2038"/></url>
<url><loc>https://scifaro.com/en/abs/local-equivalence-of-reversible-and-general-markov-kinetics-1205.2052</loc><lastmod>2013-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-equivalence-of-reversible-and-general-markov-kinetics-1205.2052"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-equivalence-of-reversible-and-general-markov-kinetics-1205.2052"/></url>
<url><loc>https://scifaro.com/en/abs/atlas-and-wavenumber-tables-for-visible-part-of-the-rovibronic-multiline-emission-spectrum-of-the-d-2-molecule-ii-wavenumber-range-18161-div-14379-cm-1-measured-with-moderate-resolution-1205.2502</loc><lastmod>2012-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atlas-and-wavenumber-tables-for-visible-part-of-the-rovibronic-multiline-emission-spectrum-of-the-d-2-molecule-ii-wavenumber-range-18161-div-14379-cm-1-measured-with-moderate-resolution-1205.2502"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atlas-and-wavenumber-tables-for-visible-part-of-the-rovibronic-multiline-emission-spectrum-of-the-d-2-molecule-ii-wavenumber-range-18161-div-14379-cm-1-measured-with-moderate-resolution-1205.2502"/></url>
<url><loc>https://scifaro.com/en/abs/unphysical-artifacts-are-responsible-for-molecular-orientation-with-half-cycle-pulses-1205.2510</loc><lastmod>2012-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unphysical-artifacts-are-responsible-for-molecular-orientation-with-half-cycle-pulses-1205.2510"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unphysical-artifacts-are-responsible-for-molecular-orientation-with-half-cycle-pulses-1205.2510"/></url>
<url><loc>https://scifaro.com/en/abs/strongly-separated-pairs-of-core-electrons-in-computed-ground-states-of-small-molecules-1205.2970</loc><lastmod>2012-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strongly-separated-pairs-of-core-electrons-in-computed-ground-states-of-small-molecules-1205.2970"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strongly-separated-pairs-of-core-electrons-in-computed-ground-states-of-small-molecules-1205.2970"/></url>
<url><loc>https://scifaro.com/en/abs/titania-prepared-by-ball-milling-its-characterization-and-application-as-liquefied-petroleum-gas-sensor-1205.3032</loc><lastmod>2012-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/titania-prepared-by-ball-milling-its-characterization-and-application-as-liquefied-petroleum-gas-sensor-1205.3032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/titania-prepared-by-ball-milling-its-characterization-and-application-as-liquefied-petroleum-gas-sensor-1205.3032"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-vibrations-induced-quantum-beats-in-two-dimensional-electronic-spectroscopy-1205.3383</loc><lastmod>2012-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-vibrations-induced-quantum-beats-in-two-dimensional-electronic-spectroscopy-1205.3383"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-vibrations-induced-quantum-beats-in-two-dimensional-electronic-spectroscopy-1205.3383"/></url>
<url><loc>https://scifaro.com/en/abs/energy-densities-in-the-strong-interaction-limit-of-density-functional-theory-1205.4522</loc><lastmod>2012-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-densities-in-the-strong-interaction-limit-of-density-functional-theory-1205.4522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-densities-in-the-strong-interaction-limit-of-density-functional-theory-1205.4522"/></url>
<url><loc>https://scifaro.com/en/abs/ultraviolet-dielectric-hyperlens-with-layered-graphene-and-boron-nitride-1205.4823</loc><lastmod>2012-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultraviolet-dielectric-hyperlens-with-layered-graphene-and-boron-nitride-1205.4823"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultraviolet-dielectric-hyperlens-with-layered-graphene-and-boron-nitride-1205.4823"/></url>
<url><loc>https://scifaro.com/en/abs/gas-bubble-growth-dynamics-in-a-supersaturated-solution-henry-s-and-sievert-s-solubility-laws-1205.5471</loc><lastmod>2012-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gas-bubble-growth-dynamics-in-a-supersaturated-solution-henry-s-and-sievert-s-solubility-laws-1205.5471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gas-bubble-growth-dynamics-in-a-supersaturated-solution-henry-s-and-sievert-s-solubility-laws-1205.5471"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-effects-within-a-single-thermally-averaged-potential-energy-surface-thermal-expansion-and-reaction-rates-of-small-molecules-1205.6181</loc><lastmod>2012-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-effects-within-a-single-thermally-averaged-potential-energy-surface-thermal-expansion-and-reaction-rates-of-small-molecules-1205.6181"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-effects-within-a-single-thermally-averaged-potential-energy-surface-thermal-expansion-and-reaction-rates-of-small-molecules-1205.6181"/></url>
<url><loc>https://scifaro.com/en/abs/merged-beams-for-slow-molecular-collision-experiments-1205.6225</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/merged-beams-for-slow-molecular-collision-experiments-1205.6225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/merged-beams-for-slow-molecular-collision-experiments-1205.6225"/></url>
<url><loc>https://scifaro.com/en/abs/compositional-analysis-of-the-high-molecular-weight-ethylene-oxide-propylene-oxide-copolymer-by-maldi-mass-spectrometry-1205.6421</loc><lastmod>2012-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compositional-analysis-of-the-high-molecular-weight-ethylene-oxide-propylene-oxide-copolymer-by-maldi-mass-spectrometry-1205.6421"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compositional-analysis-of-the-high-molecular-weight-ethylene-oxide-propylene-oxide-copolymer-by-maldi-mass-spectrometry-1205.6421"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-compressed-sensing-to-the-simulation-of-atomic-systems-1205.6485</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-compressed-sensing-to-the-simulation-of-atomic-systems-1205.6485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-compressed-sensing-to-the-simulation-of-atomic-systems-1205.6485"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-nanoparticle-geometry-and-size-distribution-on-diffusion-impedance-of-battery-electrodes-1205.6539</loc><lastmod>2012-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-nanoparticle-geometry-and-size-distribution-on-diffusion-impedance-of-battery-electrodes-1205.6539"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-nanoparticle-geometry-and-size-distribution-on-diffusion-impedance-of-battery-electrodes-1205.6539"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-stochastic-resonance-in-a-double-cavity-1205.6635</loc><lastmod>2012-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-stochastic-resonance-in-a-double-cavity-1205.6635"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-stochastic-resonance-in-a-double-cavity-1205.6635"/></url>
<url><loc>https://scifaro.com/en/abs/periodic-force-induced-stabilization-or-destabilization-of-the-denatured-state-of-a-protein-1205.6638</loc><lastmod>2012-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/periodic-force-induced-stabilization-or-destabilization-of-the-denatured-state-of-a-protein-1205.6638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/periodic-force-induced-stabilization-or-destabilization-of-the-denatured-state-of-a-protein-1205.6638"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-of-self-induced-aggregation-of-brownian-particles-non-markovian-and-non-gaussian-features-1205.6885</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-of-self-induced-aggregation-of-brownian-particles-non-markovian-and-non-gaussian-features-1205.6885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-of-self-induced-aggregation-of-brownian-particles-non-markovian-and-non-gaussian-features-1205.6885"/></url>
<url><loc>https://scifaro.com/en/abs/characterizing-dynamical-transitions-in-bistable-system-using-non-equilibrium-measurement-of-work-1206.0084</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterizing-dynamical-transitions-in-bistable-system-using-non-equilibrium-measurement-of-work-1206.0084"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterizing-dynamical-transitions-in-bistable-system-using-non-equilibrium-measurement-of-work-1206.0084"/></url>
<url><loc>https://scifaro.com/en/abs/noise-correlation-induced-splitting-of-kramers-escape-rate-from-a-metastable-state-1206.0086</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noise-correlation-induced-splitting-of-kramers-escape-rate-from-a-metastable-state-1206.0086"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noise-correlation-induced-splitting-of-kramers-escape-rate-from-a-metastable-state-1206.0086"/></url>
<url><loc>https://scifaro.com/en/abs/interference-of-stochastic-resonances-splitting-of-kramers-rate-1206.0093</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interference-of-stochastic-resonances-splitting-of-kramers-rate-1206.0093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interference-of-stochastic-resonances-splitting-of-kramers-rate-1206.0093"/></url>
<url><loc>https://scifaro.com/en/abs/nonextensive-local-composition-models-in-theories-of-solutions-1206.0501</loc><lastmod>2012-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonextensive-local-composition-models-in-theories-of-solutions-1206.0501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonextensive-local-composition-models-in-theories-of-solutions-1206.0501"/></url>
<url><loc>https://scifaro.com/en/abs/nonequilibrium-thermodynamics-symmetric-and-unique-formulation-of-the-first-law-statistical-definition-of-heat-and-work-adiabatic-theorem-and-the-fate-of-the-clausius-inequality-a-microscopic-view-1206.0702</loc><lastmod>2012-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonequilibrium-thermodynamics-symmetric-and-unique-formulation-of-the-first-law-statistical-definition-of-heat-and-work-adiabatic-theorem-and-the-fate-of-the-clausius-inequality-a-microscopic-view-1206.0702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonequilibrium-thermodynamics-symmetric-and-unique-formulation-of-the-first-law-statistical-definition-of-heat-and-work-adiabatic-theorem-and-the-fate-of-the-clausius-inequality-a-microscopic-view-1206.0702"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-potential-curves-for-the-x-2-sigma-u-a-2-pi-u-and-b-2-sigma-g-states-of-ca-2-1206.1304</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-potential-curves-for-the-x-2-sigma-u-a-2-pi-u-and-b-2-sigma-g-states-of-ca-2-1206.1304"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-potential-curves-for-the-x-2-sigma-u-a-2-pi-u-and-b-2-sigma-g-states-of-ca-2-1206.1304"/></url>
<url><loc>https://scifaro.com/en/abs/monte-carlo-estimates-of-thermal-averages-and-analytic-continuation-1206.1677</loc><lastmod>2012-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monte-carlo-estimates-of-thermal-averages-and-analytic-continuation-1206.1677"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monte-carlo-estimates-of-thermal-averages-and-analytic-continuation-1206.1677"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-stochastic-resonance-1206.1723</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-stochastic-resonance-1206.1723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-stochastic-resonance-1206.1723"/></url>
<url><loc>https://scifaro.com/en/abs/control-of-silver-polymer-aggregation-mechanism-by-primary-particle-spatial-correlations-in-dynamic-fractal-like-geometry-1206.1747</loc><lastmod>2012-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/control-of-silver-polymer-aggregation-mechanism-by-primary-particle-spatial-correlations-in-dynamic-fractal-like-geometry-1206.1747"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/control-of-silver-polymer-aggregation-mechanism-by-primary-particle-spatial-correlations-in-dynamic-fractal-like-geometry-1206.1747"/></url>
<url><loc>https://scifaro.com/en/abs/substituent-effects-on-the-spin-transition-temperature-in-complexes-with-tris-pyrazolyl-ligands-1206.1883</loc><lastmod>2012-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/substituent-effects-on-the-spin-transition-temperature-in-complexes-with-tris-pyrazolyl-ligands-1206.1883"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/substituent-effects-on-the-spin-transition-temperature-in-complexes-with-tris-pyrazolyl-ligands-1206.1883"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-bonds-and-spin-state-splittings-in-spin-crossover-complexes-a-dft-and-qtaim-analysis-1206.2136</loc><lastmod>2012-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-bonds-and-spin-state-splittings-in-spin-crossover-complexes-a-dft-and-qtaim-analysis-1206.2136"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-bonds-and-spin-state-splittings-in-spin-crossover-complexes-a-dft-and-qtaim-analysis-1206.2136"/></url>
<url><loc>https://scifaro.com/en/abs/m-ossbauer-studies-of-coordination-compounds-using-synchrotron-radiation-1206.2137</loc><lastmod>2012-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/m-ossbauer-studies-of-coordination-compounds-using-synchrotron-radiation-1206.2137"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/m-ossbauer-studies-of-coordination-compounds-using-synchrotron-radiation-1206.2137"/></url>
<url><loc>https://scifaro.com/en/abs/spin-in-density-functional-theory-1206.2234</loc><lastmod>2012-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-in-density-functional-theory-1206.2234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-in-density-functional-theory-1206.2234"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-calculations-for-spin-crossover-complexes-1206.2247</loc><lastmod>2012-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-calculations-for-spin-crossover-complexes-1206.2247"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-calculations-for-spin-crossover-complexes-1206.2247"/></url>
<url><loc>https://scifaro.com/en/abs/m-ossbauer-nuclear-inelastic-scattering-and-density-functional-studies-on-the-second-metastable-state-of-na2-fe-cn-5no-cdot-2h2o-1206.2264</loc><lastmod>2012-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/m-ossbauer-nuclear-inelastic-scattering-and-density-functional-studies-on-the-second-metastable-state-of-na2-fe-cn-5no-cdot-2h2o-1206.2264"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/m-ossbauer-nuclear-inelastic-scattering-and-density-functional-studies-on-the-second-metastable-state-of-na2-fe-cn-5no-cdot-2h2o-1206.2264"/></url>
<url><loc>https://scifaro.com/en/abs/electron-impact-resonant-vibration-excitation-cross-sections-and-rate-coefficients-for-carbon-monoxide-1206.2268</loc><lastmod>2012-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-impact-resonant-vibration-excitation-cross-sections-and-rate-coefficients-for-carbon-monoxide-1206.2268"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-impact-resonant-vibration-excitation-cross-sections-and-rate-coefficients-for-carbon-monoxide-1206.2268"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-calculations-and-vibrational-spectroscopy-on-iron-spin-crossover-compounds-1206.2469</loc><lastmod>2012-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-calculations-and-vibrational-spectroscopy-on-iron-spin-crossover-compounds-1206.2469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-calculations-and-vibrational-spectroscopy-on-iron-spin-crossover-compounds-1206.2469"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-of-metal-centers-monitored-by-nuclear-inelastic-scattering-1206.2760</loc><lastmod>2012-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-of-metal-centers-monitored-by-nuclear-inelastic-scattering-1206.2760"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-of-metal-centers-monitored-by-nuclear-inelastic-scattering-1206.2760"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-resonance-vibrational-spectroscopy-of-iron-sulfur-proteins-1206.2788</loc><lastmod>2012-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-resonance-vibrational-spectroscopy-of-iron-sulfur-proteins-1206.2788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-resonance-vibrational-spectroscopy-of-iron-sulfur-proteins-1206.2788"/></url>
<url><loc>https://scifaro.com/en/abs/tin-dna-complexes-investigated-by-nuclear-inelastic-scattering-of-synchrotron-radiation-1206.2931</loc><lastmod>2012-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tin-dna-complexes-investigated-by-nuclear-inelastic-scattering-of-synchrotron-radiation-1206.2931"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tin-dna-complexes-investigated-by-nuclear-inelastic-scattering-of-synchrotron-radiation-1206.2931"/></url>
<url><loc>https://scifaro.com/en/abs/dft-calculations-as-a-tool-to-analyse-quadrupole-splittings-of-spin-crossover-fe-ii-complexes-1206.3036</loc><lastmod>2012-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dft-calculations-as-a-tool-to-analyse-quadrupole-splittings-of-spin-crossover-fe-ii-complexes-1206.3036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dft-calculations-as-a-tool-to-analyse-quadrupole-splittings-of-spin-crossover-fe-ii-complexes-1206.3036"/></url>
<url><loc>https://scifaro.com/en/abs/pressure-induced-changes-of-the-vibrational-modes-of-spin-crossover-complexes-studied-by-nuclear-resonance-scattering-of-synchrotron-radiation-1206.3451</loc><lastmod>2012-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pressure-induced-changes-of-the-vibrational-modes-of-spin-crossover-complexes-studied-by-nuclear-resonance-scattering-of-synchrotron-radiation-1206.3451"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pressure-induced-changes-of-the-vibrational-modes-of-spin-crossover-complexes-studied-by-nuclear-resonance-scattering-of-synchrotron-radiation-1206.3451"/></url>
<url><loc>https://scifaro.com/en/abs/interpretation-of-m-ossbauer-spectra-in-the-energy-and-time-domain-with-neural-networks-1206.3892</loc><lastmod>2012-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpretation-of-m-ossbauer-spectra-in-the-energy-and-time-domain-with-neural-networks-1206.3892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpretation-of-m-ossbauer-spectra-in-the-energy-and-time-domain-with-neural-networks-1206.3892"/></url>
<url><loc>https://scifaro.com/en/abs/liquid-methane-at-extreme-temperature-and-pressure-implications-for-models-of-uranus-and-neptune-1206.4500</loc><lastmod>2014-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/liquid-methane-at-extreme-temperature-and-pressure-implications-for-models-of-uranus-and-neptune-1206.4500"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/liquid-methane-at-extreme-temperature-and-pressure-implications-for-models-of-uranus-and-neptune-1206.4500"/></url>
<url><loc>https://scifaro.com/en/abs/rempi-spectroscopy-of-hff-1206.4808</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rempi-spectroscopy-of-hff-1206.4808"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rempi-spectroscopy-of-hff-1206.4808"/></url>
<url><loc>https://scifaro.com/en/abs/state-selected-ion-molecule-reactions-with-coulomb-crystallized-molecular-ions-in-traps-1206.5040</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-selected-ion-molecule-reactions-with-coulomb-crystallized-molecular-ions-in-traps-1206.5040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-selected-ion-molecule-reactions-with-coulomb-crystallized-molecular-ions-in-traps-1206.5040"/></url>
<url><loc>https://scifaro.com/en/abs/the-chemi-ionization-processes-in-slow-collisions-of-rydberg-atoms-with-ground-state-atoms-mechanism-and-applications-1206.5117</loc><lastmod>2012-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-chemi-ionization-processes-in-slow-collisions-of-rydberg-atoms-with-ground-state-atoms-mechanism-and-applications-1206.5117"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-chemi-ionization-processes-in-slow-collisions-of-rydberg-atoms-with-ground-state-atoms-mechanism-and-applications-1206.5117"/></url>
<url><loc>https://scifaro.com/en/abs/simulation-of-tethered-oligomers-in-nanochannels-using-multi-particle-collision-dynamics-1206.5169</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulation-of-tethered-oligomers-in-nanochannels-using-multi-particle-collision-dynamics-1206.5169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulation-of-tethered-oligomers-in-nanochannels-using-multi-particle-collision-dynamics-1206.5169"/></url>
<url><loc>https://scifaro.com/en/abs/selecting-the-suitable-dopants-electronic-structures-of-transition-metal-and-rare-earth-doped-thermoelectric-sodium-cobaltate-1206.5448</loc><lastmod>2019-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selecting-the-suitable-dopants-electronic-structures-of-transition-metal-and-rare-earth-doped-thermoelectric-sodium-cobaltate-1206.5448"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selecting-the-suitable-dopants-electronic-structures-of-transition-metal-and-rare-earth-doped-thermoelectric-sodium-cobaltate-1206.5448"/></url>
<url><loc>https://scifaro.com/en/abs/memory-assisted-exciton-diffusion-in-the-chlorosome-light-harvesting-antenna-of-green-sulfur-bacteria-1206.5812</loc><lastmod>2012-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/memory-assisted-exciton-diffusion-in-the-chlorosome-light-harvesting-antenna-of-green-sulfur-bacteria-1206.5812"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/memory-assisted-exciton-diffusion-in-the-chlorosome-light-harvesting-antenna-of-green-sulfur-bacteria-1206.5812"/></url>
<url><loc>https://scifaro.com/en/abs/electron-correlation-and-nuclear-charge-dependence-of-parity-violating-properties-in-open-shell-diatomic-molecules-1206.6013</loc><lastmod>2013-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-correlation-and-nuclear-charge-dependence-of-parity-violating-properties-in-open-shell-diatomic-molecules-1206.6013"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-correlation-and-nuclear-charge-dependence-of-parity-violating-properties-in-open-shell-diatomic-molecules-1206.6013"/></url>
<url><loc>https://scifaro.com/en/abs/overlapping-resonances-interference-induced-transparency-the-s-0-to-s-2-s-1-photoexcitation-spectrum-of-pyrazine-1206.6060</loc><lastmod>2012-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/overlapping-resonances-interference-induced-transparency-the-s-0-to-s-2-s-1-photoexcitation-spectrum-of-pyrazine-1206.6060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/overlapping-resonances-interference-induced-transparency-the-s-0-to-s-2-s-1-photoexcitation-spectrum-of-pyrazine-1206.6060"/></url>
<url><loc>https://scifaro.com/en/abs/optimized-multichannel-quantum-defect-theory-for-cold-molecular-collisions-1206.6072</loc><lastmod>2013-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimized-multichannel-quantum-defect-theory-for-cold-molecular-collisions-1206.6072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimized-multichannel-quantum-defect-theory-for-cold-molecular-collisions-1206.6072"/></url>
<url><loc>https://scifaro.com/en/abs/evaluation-of-the-importance-of-spin-orbit-couplings-in-the-nonadiabatic-quantum-dynamics-with-quantum-fidelity-and-with-its-efficient-on-the-fly-ab-initio-semiclassical-approximation-1206.6299</loc><lastmod>2013-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaluation-of-the-importance-of-spin-orbit-couplings-in-the-nonadiabatic-quantum-dynamics-with-quantum-fidelity-and-with-its-efficient-on-the-fly-ab-initio-semiclassical-approximation-1206.6299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaluation-of-the-importance-of-spin-orbit-couplings-in-the-nonadiabatic-quantum-dynamics-with-quantum-fidelity-and-with-its-efficient-on-the-fly-ab-initio-semiclassical-approximation-1206.6299"/></url>
<url><loc>https://scifaro.com/en/abs/high-spin-low-spin-transition-1206.6683</loc><lastmod>2012-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-spin-low-spin-transition-1206.6683"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-spin-low-spin-transition-1206.6683"/></url>
<url><loc>https://scifaro.com/en/abs/synergistic-formation-of-radicals-by-irradiation-with-both-vacuum-ultraviolet-and-atomic-hydrogen-a-real-time-in-situ-electron-spin-resonance-study-1206.6920</loc><lastmod>2012-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synergistic-formation-of-radicals-by-irradiation-with-both-vacuum-ultraviolet-and-atomic-hydrogen-a-real-time-in-situ-electron-spin-resonance-study-1206.6920"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synergistic-formation-of-radicals-by-irradiation-with-both-vacuum-ultraviolet-and-atomic-hydrogen-a-real-time-in-situ-electron-spin-resonance-study-1206.6920"/></url>
<url><loc>https://scifaro.com/en/abs/significant-conditions-on-the-two-electron-reduced-density-matrix-from-the-constructive-solution-of-n-representability-1207.0541</loc><lastmod>2012-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/significant-conditions-on-the-two-electron-reduced-density-matrix-from-the-constructive-solution-of-n-representability-1207.0541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/significant-conditions-on-the-two-electron-reduced-density-matrix-from-the-constructive-solution-of-n-representability-1207.0541"/></url>
<url><loc>https://scifaro.com/en/abs/coarse-graining-martini-model-for-molecular-dynamics-simulations-of-the-wetting-properties-of-graphitic-surfaces-with-non-ionic-long-chain-and-t-shaped-surfactants-1207.0635</loc><lastmod>2012-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coarse-graining-martini-model-for-molecular-dynamics-simulations-of-the-wetting-properties-of-graphitic-surfaces-with-non-ionic-long-chain-and-t-shaped-surfactants-1207.0635"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coarse-graining-martini-model-for-molecular-dynamics-simulations-of-the-wetting-properties-of-graphitic-surfaces-with-non-ionic-long-chain-and-t-shaped-surfactants-1207.0635"/></url>
<url><loc>https://scifaro.com/en/abs/single-substrate-enzyme-kinetics-the-quasi-steady-state-approximation-and-beyond-1207.0903</loc><lastmod>2019-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/single-substrate-enzyme-kinetics-the-quasi-steady-state-approximation-and-beyond-1207.0903"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/single-substrate-enzyme-kinetics-the-quasi-steady-state-approximation-and-beyond-1207.0903"/></url>
<url><loc>https://scifaro.com/en/abs/in-silico-modeling-of-the-molecular-structure-and-binding-of-leukotriene-a4-into-leukotriene-a4-hydrolase-1207.1091</loc><lastmod>2012-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-silico-modeling-of-the-molecular-structure-and-binding-of-leukotriene-a4-into-leukotriene-a4-hydrolase-1207.1091"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-silico-modeling-of-the-molecular-structure-and-binding-of-leukotriene-a4-into-leukotriene-a4-hydrolase-1207.1091"/></url>
<url><loc>https://scifaro.com/en/abs/solvent-effect-on-the-thermodynamics-of-the-oxidation-of-potential-antioxidant-garlic-compounds-1207.1092</loc><lastmod>2017-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvent-effect-on-the-thermodynamics-of-the-oxidation-of-potential-antioxidant-garlic-compounds-1207.1092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvent-effect-on-the-thermodynamics-of-the-oxidation-of-potential-antioxidant-garlic-compounds-1207.1092"/></url>
<url><loc>https://scifaro.com/en/abs/brownian-model-theory-of-nonequilibrium-liquid-structure-and-hydrodynamics-of-strong-electrolyte-solutions-in-an-external-field-1207.1144</loc><lastmod>2012-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/brownian-model-theory-of-nonequilibrium-liquid-structure-and-hydrodynamics-of-strong-electrolyte-solutions-in-an-external-field-1207.1144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/brownian-model-theory-of-nonequilibrium-liquid-structure-and-hydrodynamics-of-strong-electrolyte-solutions-in-an-external-field-1207.1144"/></url>
<url><loc>https://scifaro.com/en/abs/wien-effect-on-ionic-conductance-of-binary-strong-electrolyte-solutions-in-a-high-external-electric-field-1207.1148</loc><lastmod>2012-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wien-effect-on-ionic-conductance-of-binary-strong-electrolyte-solutions-in-a-high-external-electric-field-1207.1148"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wien-effect-on-ionic-conductance-of-binary-strong-electrolyte-solutions-in-a-high-external-electric-field-1207.1148"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-bonding-in-ionic-liquids-probed-by-linear-and-nonlinear-vibrational-spectroscopy-1207.1213</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-bonding-in-ionic-liquids-probed-by-linear-and-nonlinear-vibrational-spectroscopy-1207.1213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-bonding-in-ionic-liquids-probed-by-linear-and-nonlinear-vibrational-spectroscopy-1207.1213"/></url>
<url><loc>https://scifaro.com/en/abs/size-dependent-exciton-dynamics-in-one-dimensional-perylene-bisimide-aggregates-1207.1214</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-dependent-exciton-dynamics-in-one-dimensional-perylene-bisimide-aggregates-1207.1214"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-dependent-exciton-dynamics-in-one-dimensional-perylene-bisimide-aggregates-1207.1214"/></url>
<url><loc>https://scifaro.com/en/abs/entropy-driven-liquid-liquid-separation-in-supercooled-water-1207.2101</loc><lastmod>2017-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entropy-driven-liquid-liquid-separation-in-supercooled-water-1207.2101"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entropy-driven-liquid-liquid-separation-in-supercooled-water-1207.2101"/></url>
<url><loc>https://scifaro.com/en/abs/spontaneous-symmetry-breaking-in-metal-adsorbed-graphene-sheets-1207.2200</loc><lastmod>2016-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spontaneous-symmetry-breaking-in-metal-adsorbed-graphene-sheets-1207.2200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spontaneous-symmetry-breaking-in-metal-adsorbed-graphene-sheets-1207.2200"/></url>
<url><loc>https://scifaro.com/en/abs/excitonic-energy-transfer-in-light-harvesting-complexes-in-purple-bacteria-1207.2464</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitonic-energy-transfer-in-light-harvesting-complexes-in-purple-bacteria-1207.2464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitonic-energy-transfer-in-light-harvesting-complexes-in-purple-bacteria-1207.2464"/></url>
<url><loc>https://scifaro.com/en/abs/a-mixed-entropic-uncertainty-relation-1207.2551</loc><lastmod>2019-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mixed-entropic-uncertainty-relation-1207.2551"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mixed-entropic-uncertainty-relation-1207.2551"/></url>
<url><loc>https://scifaro.com/en/abs/controllable-binding-of-polar-molecules-and-meta-stability-of-1-d-gases-with-attractive-dipole-forces-1207.2797</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controllable-binding-of-polar-molecules-and-meta-stability-of-1-d-gases-with-attractive-dipole-forces-1207.2797"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controllable-binding-of-polar-molecules-and-meta-stability-of-1-d-gases-with-attractive-dipole-forces-1207.2797"/></url>
<url><loc>https://scifaro.com/en/abs/trapping-in-dendrimers-and-regular-hyperbranched-polymers-1207.3475</loc><lastmod>2012-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/trapping-in-dendrimers-and-regular-hyperbranched-polymers-1207.3475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/trapping-in-dendrimers-and-regular-hyperbranched-polymers-1207.3475"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-forces-between-polar-alkali-diatoms-aligned-by-external-electric-fields-1207.3546</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-forces-between-polar-alkali-diatoms-aligned-by-external-electric-fields-1207.3546"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-forces-between-polar-alkali-diatoms-aligned-by-external-electric-fields-1207.3546"/></url>
<url><loc>https://scifaro.com/en/abs/testing-one-body-density-functionals-on-a-solvable-model-1207.3897</loc><lastmod>2013-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/testing-one-body-density-functionals-on-a-solvable-model-1207.3897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/testing-one-body-density-functionals-on-a-solvable-model-1207.3897"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-trajectory-approach-to-molecular-dynamics-simulation-with-surface-hopping-1207.4298</loc><lastmod>2013-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-trajectory-approach-to-molecular-dynamics-simulation-with-surface-hopping-1207.4298"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-trajectory-approach-to-molecular-dynamics-simulation-with-surface-hopping-1207.4298"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-dynamics-of-neutral-superexcited-oxygen-a-direct-measurement-of-the-competition-between-autoionization-and-predissociation-1207.4740</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-dynamics-of-neutral-superexcited-oxygen-a-direct-measurement-of-the-competition-between-autoionization-and-predissociation-1207.4740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-dynamics-of-neutral-superexcited-oxygen-a-direct-measurement-of-the-competition-between-autoionization-and-predissociation-1207.4740"/></url>
<url><loc>https://scifaro.com/en/abs/increase-of-sers-signal-upon-heating-or-exposure-to-a-high-intensity-laser-field-benzenethiol-on-an-agfon-substrate-1207.4797</loc><lastmod>2013-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/increase-of-sers-signal-upon-heating-or-exposure-to-a-high-intensity-laser-field-benzenethiol-on-an-agfon-substrate-1207.4797"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/increase-of-sers-signal-upon-heating-or-exposure-to-a-high-intensity-laser-field-benzenethiol-on-an-agfon-substrate-1207.4797"/></url>
<url><loc>https://scifaro.com/en/abs/scalar-fundamental-measure-theory-for-hard-spheres-in-three-dimensions-application-to-hydrophobic-solvation-1207.4950</loc><lastmod>2012-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scalar-fundamental-measure-theory-for-hard-spheres-in-three-dimensions-application-to-hydrophobic-solvation-1207.4950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scalar-fundamental-measure-theory-for-hard-spheres-in-three-dimensions-application-to-hydrophobic-solvation-1207.4950"/></url>
<url><loc>https://scifaro.com/en/abs/carbon-dioxide-adsorption-and-activation-on-ceria-110-a-density-functional-theory-study-1207.5088</loc><lastmod>2015-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/carbon-dioxide-adsorption-and-activation-on-ceria-110-a-density-functional-theory-study-1207.5088"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/carbon-dioxide-adsorption-and-activation-on-ceria-110-a-density-functional-theory-study-1207.5088"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-the-subunits-interactions-in-the-conformational-transitions-in-adult-human-hemoglobin-an-explicit-solvent-molecular-dynamics-study-1207.6904</loc><lastmod>2012-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-the-subunits-interactions-in-the-conformational-transitions-in-adult-human-hemoglobin-an-explicit-solvent-molecular-dynamics-study-1207.6904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-the-subunits-interactions-in-the-conformational-transitions-in-adult-human-hemoglobin-an-explicit-solvent-molecular-dynamics-study-1207.6904"/></url>
<url><loc>https://scifaro.com/en/abs/is-ion-channel-selectivity-mediated-by-confined-water-1207.6953</loc><lastmod>2012-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-ion-channel-selectivity-mediated-by-confined-water-1207.6953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-ion-channel-selectivity-mediated-by-confined-water-1207.6953"/></url>
<url><loc>https://scifaro.com/en/abs/microstructures-of-capped-ethylene-oxide-oligomers-in-water-and-n-hexane-1208.0349</loc><lastmod>2012-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microstructures-of-capped-ethylene-oxide-oligomers-in-water-and-n-hexane-1208.0349"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microstructures-of-capped-ethylene-oxide-oligomers-in-water-and-n-hexane-1208.0349"/></url>
<url><loc>https://scifaro.com/en/abs/sonoluminescence-and-sonochemiluminescence-from-a-microreactor-1208.0669</loc><lastmod>2012-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sonoluminescence-and-sonochemiluminescence-from-a-microreactor-1208.0669"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sonoluminescence-and-sonochemiluminescence-from-a-microreactor-1208.0669"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-sonochemistry-through-microbubbles-generated-with-micromachined-surfaces-1208.0691</loc><lastmod>2012-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-sonochemistry-through-microbubbles-generated-with-micromachined-surfaces-1208.0691"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-sonochemistry-through-microbubbles-generated-with-micromachined-surfaces-1208.0691"/></url>
<url><loc>https://scifaro.com/en/abs/symmetric-tensor-decomposition-description-of-fermionic-many-body-wavefunctions-1208.1082</loc><lastmod>2013-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetric-tensor-decomposition-description-of-fermionic-many-body-wavefunctions-1208.1082"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetric-tensor-decomposition-description-of-fermionic-many-body-wavefunctions-1208.1082"/></url>
<url><loc>https://scifaro.com/en/abs/statistics-of-multiscale-fluctuations-in-macromolecular-systems-1208.1221</loc><lastmod>2012-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistics-of-multiscale-fluctuations-in-macromolecular-systems-1208.1221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistics-of-multiscale-fluctuations-in-macromolecular-systems-1208.1221"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-quantum-effects-in-sub-kelvin-cold-reactions-1208.1681</loc><lastmod>2012-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-quantum-effects-in-sub-kelvin-cold-reactions-1208.1681"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-quantum-effects-in-sub-kelvin-cold-reactions-1208.1681"/></url>
<url><loc>https://scifaro.com/en/abs/controlled-redistribution-of-vibrational-population-by-few-cycle-strong-field-laser-pulses-1208.1882</loc><lastmod>2017-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlled-redistribution-of-vibrational-population-by-few-cycle-strong-field-laser-pulses-1208.1882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlled-redistribution-of-vibrational-population-by-few-cycle-strong-field-laser-pulses-1208.1882"/></url>
<url><loc>https://scifaro.com/en/abs/few-body-reference-data-for-multicomponent-formalisms-light-nuclei-molecules-1208.2216</loc><lastmod>2013-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/few-body-reference-data-for-multicomponent-formalisms-light-nuclei-molecules-1208.2216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/few-body-reference-data-for-multicomponent-formalisms-light-nuclei-molecules-1208.2216"/></url>
<url><loc>https://scifaro.com/en/abs/a-two-state-model-of-twisted-intramolecular-chargetransfer-in-monomethine-dyes-1208.2477</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-two-state-model-of-twisted-intramolecular-chargetransfer-in-monomethine-dyes-1208.2477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-two-state-model-of-twisted-intramolecular-chargetransfer-in-monomethine-dyes-1208.2477"/></url>
<url><loc>https://scifaro.com/en/abs/using-a-dual-plasma-process-to-produce-cobalt-polypyrrole-catalysts-for-the-oxygen-reduction-reaction-in-fuel-cells-part-i-characterisation-of-the-catalytic-activity-and-surface-structure-1208.2574</loc><lastmod>2012-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-a-dual-plasma-process-to-produce-cobalt-polypyrrole-catalysts-for-the-oxygen-reduction-reaction-in-fuel-cells-part-i-characterisation-of-the-catalytic-activity-and-surface-structure-1208.2574"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-a-dual-plasma-process-to-produce-cobalt-polypyrrole-catalysts-for-the-oxygen-reduction-reaction-in-fuel-cells-part-i-characterisation-of-the-catalytic-activity-and-surface-structure-1208.2574"/></url>
<url><loc>https://scifaro.com/en/abs/classical-nucleation-theory-from-a-dynamical-approach-to-nucleation-1208.3220</loc><lastmod>2013-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classical-nucleation-theory-from-a-dynamical-approach-to-nucleation-1208.3220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classical-nucleation-theory-from-a-dynamical-approach-to-nucleation-1208.3220"/></url>
<url><loc>https://scifaro.com/en/abs/computational-complexity-in-electronic-structure-1208.3334</loc><lastmod>2017-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-complexity-in-electronic-structure-1208.3334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-complexity-in-electronic-structure-1208.3334"/></url>
<url><loc>https://scifaro.com/en/abs/inelastic-tunneling-spectroscopy-of-gold-thiol-and-gold-thiolate-interfaces-in-molecular-junctions-the-role-of-hydrogen-1208.3450</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inelastic-tunneling-spectroscopy-of-gold-thiol-and-gold-thiolate-interfaces-in-molecular-junctions-the-role-of-hydrogen-1208.3450"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inelastic-tunneling-spectroscopy-of-gold-thiol-and-gold-thiolate-interfaces-in-molecular-junctions-the-role-of-hydrogen-1208.3450"/></url>
<url><loc>https://scifaro.com/en/abs/a-multiconfigurational-hybrid-density-functional-theory-1208.3541</loc><lastmod>2012-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multiconfigurational-hybrid-density-functional-theory-1208.3541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multiconfigurational-hybrid-density-functional-theory-1208.3541"/></url>
<url><loc>https://scifaro.com/en/abs/accounting-for-the-kinetics-in-order-parameter-analysis-lessons-from-theoretical-models-and-a-disordered-peptide-1208.3584</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accounting-for-the-kinetics-in-order-parameter-analysis-lessons-from-theoretical-models-and-a-disordered-peptide-1208.3584"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accounting-for-the-kinetics-in-order-parameter-analysis-lessons-from-theoretical-models-and-a-disordered-peptide-1208.3584"/></url>
<url><loc>https://scifaro.com/en/abs/crystal-lattice-properties-fully-determine-short-range-interaction-parameters-for-alkali-and-halide-ions-1208.3704</loc><lastmod>2012-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crystal-lattice-properties-fully-determine-short-range-interaction-parameters-for-alkali-and-halide-ions-1208.3704"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crystal-lattice-properties-fully-determine-short-range-interaction-parameters-for-alkali-and-halide-ions-1208.3704"/></url>
<url><loc>https://scifaro.com/en/abs/real-time-quantum-chemistry-1208.3717</loc><lastmod>2012-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-time-quantum-chemistry-1208.3717"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-time-quantum-chemistry-1208.3717"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-nonlocal-electrostatics-using-eigenfunction-expansions-of-boundary-integral-operators-1208.3866</loc><lastmod>2012-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-nonlocal-electrostatics-using-eigenfunction-expansions-of-boundary-integral-operators-1208.3866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-nonlocal-electrostatics-using-eigenfunction-expansions-of-boundary-integral-operators-1208.3866"/></url>
<url><loc>https://scifaro.com/en/abs/correlated-electron-nuclear-dynamics-exact-factorization-of-the-molecular-wavefunction-1208.4388</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlated-electron-nuclear-dynamics-exact-factorization-of-the-molecular-wavefunction-1208.4388"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlated-electron-nuclear-dynamics-exact-factorization-of-the-molecular-wavefunction-1208.4388"/></url>
<url><loc>https://scifaro.com/en/abs/brownian-transport-in-corrugated-channels-with-inertia-1208.4401</loc><lastmod>2012-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/brownian-transport-in-corrugated-channels-with-inertia-1208.4401"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/brownian-transport-in-corrugated-channels-with-inertia-1208.4401"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-logarithmic-spacing-law-in-dewetting-patterns-from-the-drying-meniscus-of-a-polymer-solution-1208.4461</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-logarithmic-spacing-law-in-dewetting-patterns-from-the-drying-meniscus-of-a-polymer-solution-1208.4461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-logarithmic-spacing-law-in-dewetting-patterns-from-the-drying-meniscus-of-a-polymer-solution-1208.4461"/></url>
<url><loc>https://scifaro.com/en/abs/attosecond-recollision-controlled-selective-fragmentation-of-polyatomic-molecules-1208.4545</loc><lastmod>2012-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attosecond-recollision-controlled-selective-fragmentation-of-polyatomic-molecules-1208.4545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attosecond-recollision-controlled-selective-fragmentation-of-polyatomic-molecules-1208.4545"/></url>
<url><loc>https://scifaro.com/en/abs/pairing-of-1-hexyl-3-methylimidazolium-and-tetrafluoroborate-ions-in-n-pentanol-1208.4752</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pairing-of-1-hexyl-3-methylimidazolium-and-tetrafluoroborate-ions-in-n-pentanol-1208.4752"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pairing-of-1-hexyl-3-methylimidazolium-and-tetrafluoroborate-ions-in-n-pentanol-1208.4752"/></url>
<url><loc>https://scifaro.com/en/abs/ignition-delay-times-of-kerosene-jet-a-air-mixtures-1208.4779</loc><lastmod>2014-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ignition-delay-times-of-kerosene-jet-a-air-mixtures-1208.4779"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ignition-delay-times-of-kerosene-jet-a-air-mixtures-1208.4779"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-barrier-passage-in-external-noise-modulated-system-reservoir-environment-1208.4894</loc><lastmod>2012-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-barrier-passage-in-external-noise-modulated-system-reservoir-environment-1208.4894"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-barrier-passage-in-external-noise-modulated-system-reservoir-environment-1208.4894"/></url>
<url><loc>https://scifaro.com/en/abs/magnetic-dipole-transitions-in-the-oh-a-2-sigma-leftarrow-x-2-pi-system-1208.4939</loc><lastmod>2012-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetic-dipole-transitions-in-the-oh-a-2-sigma-leftarrow-x-2-pi-system-1208.4939"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetic-dipole-transitions-in-the-oh-a-2-sigma-leftarrow-x-2-pi-system-1208.4939"/></url>
<url><loc>https://scifaro.com/en/abs/absorption-spectra-of-astaxanthin-aggregates-1208.4958</loc><lastmod>2015-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absorption-spectra-of-astaxanthin-aggregates-1208.4958"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absorption-spectra-of-astaxanthin-aggregates-1208.4958"/></url>
<url><loc>https://scifaro.com/en/abs/car-parrinello-simulation-of-the-reaction-of-aluminium-with-oxygen-1208.4969</loc><lastmod>2013-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/car-parrinello-simulation-of-the-reaction-of-aluminium-with-oxygen-1208.4969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/car-parrinello-simulation-of-the-reaction-of-aluminium-with-oxygen-1208.4969"/></url>
<url><loc>https://scifaro.com/en/abs/car-parrinello-molecular-dynamics-with-a-sinusoidal-time-dependent-potential-field-1208.4976</loc><lastmod>2013-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/car-parrinello-molecular-dynamics-with-a-sinusoidal-time-dependent-potential-field-1208.4976"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/car-parrinello-molecular-dynamics-with-a-sinusoidal-time-dependent-potential-field-1208.4976"/></url>
<url><loc>https://scifaro.com/en/abs/dependence-of-the-dielectric-constant-of-electrolyte-solutions-on-ionic-concentration-a-microfield-approach-1208.5169</loc><lastmod>2016-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dependence-of-the-dielectric-constant-of-electrolyte-solutions-on-ionic-concentration-a-microfield-approach-1208.5169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dependence-of-the-dielectric-constant-of-electrolyte-solutions-on-ionic-concentration-a-microfield-approach-1208.5169"/></url>
<url><loc>https://scifaro.com/en/abs/estimates-of-rates-for-dissociative-recombination-of-no-2-e-via-various-mechanisms-1208.5244</loc><lastmod>2015-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/estimates-of-rates-for-dissociative-recombination-of-no-2-e-via-various-mechanisms-1208.5244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/estimates-of-rates-for-dissociative-recombination-of-no-2-e-via-various-mechanisms-1208.5244"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-energy-divergences-in-metallic-systems-1208.6103</loc><lastmod>2012-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-energy-divergences-in-metallic-systems-1208.6103"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-energy-divergences-in-metallic-systems-1208.6103"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-vibrational-entropy-on-the-stability-of-unsolvated-peptide-helices-with-increasing-length-1208.6133</loc><lastmod>2015-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-vibrational-entropy-on-the-stability-of-unsolvated-peptide-helices-with-increasing-length-1208.6133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-vibrational-entropy-on-the-stability-of-unsolvated-peptide-helices-with-increasing-length-1208.6133"/></url>
<url><loc>https://scifaro.com/en/abs/the-fantastic-four-a-plug-n-play-set-of-optimal-control-pulses-for-enhancing-nmr-spectroscopy-1209.0134</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-fantastic-four-a-plug-n-play-set-of-optimal-control-pulses-for-enhancing-nmr-spectroscopy-1209.0134"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-fantastic-four-a-plug-n-play-set-of-optimal-control-pulses-for-enhancing-nmr-spectroscopy-1209.0134"/></url>
<url><loc>https://scifaro.com/en/abs/a-method-for-calculating-solvation-structure-on-a-sample-surface-from-a-force-curve-between-a-probe-and-the-sample-one-dimensional-version-1209.0303</loc><lastmod>2013-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-method-for-calculating-solvation-structure-on-a-sample-surface-from-a-force-curve-between-a-probe-and-the-sample-one-dimensional-version-1209.0303"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-method-for-calculating-solvation-structure-on-a-sample-surface-from-a-force-curve-between-a-probe-and-the-sample-one-dimensional-version-1209.0303"/></url>
<url><loc>https://scifaro.com/en/abs/correlated-exponential-functions-in-high-precision-calculations-for-diatomic-molecules-1209.1258</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlated-exponential-functions-in-high-precision-calculations-for-diatomic-molecules-1209.1258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlated-exponential-functions-in-high-precision-calculations-for-diatomic-molecules-1209.1258"/></url>
<url><loc>https://scifaro.com/en/abs/non-markovian-polymer-reaction-kinetics-1209.1538</loc><lastmod>2012-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-markovian-polymer-reaction-kinetics-1209.1538"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-markovian-polymer-reaction-kinetics-1209.1538"/></url>
<url><loc>https://scifaro.com/en/abs/internal-and-external-fluctuation-activated-non-equilibrium-reactive-rate-process-1209.1769</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/internal-and-external-fluctuation-activated-non-equilibrium-reactive-rate-process-1209.1769"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/internal-and-external-fluctuation-activated-non-equilibrium-reactive-rate-process-1209.1769"/></url>
<url><loc>https://scifaro.com/en/abs/diffusion-of-multiple-species-with-excluded-volume-effects-1209.1857</loc><lastmod>2012-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffusion-of-multiple-species-with-excluded-volume-effects-1209.1857"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffusion-of-multiple-species-with-excluded-volume-effects-1209.1857"/></url>
<url><loc>https://scifaro.com/en/abs/origin-independent-calculation-of-quadrupole-intensities-in-x-ray-spectroscopy-1209.2225</loc><lastmod>2012-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/origin-independent-calculation-of-quadrupole-intensities-in-x-ray-spectroscopy-1209.2225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/origin-independent-calculation-of-quadrupole-intensities-in-x-ray-spectroscopy-1209.2225"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-lateral-diffusion-on-the-dynamics-of-desorption-1209.2345</loc><lastmod>2013-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-lateral-diffusion-on-the-dynamics-of-desorption-1209.2345"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-lateral-diffusion-on-the-dynamics-of-desorption-1209.2345"/></url>
<url><loc>https://scifaro.com/en/abs/a-brownian-model-for-crystal-nucleation-1209.2648</loc><lastmod>2013-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-brownian-model-for-crystal-nucleation-1209.2648"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-brownian-model-for-crystal-nucleation-1209.2648"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-anions-in-circumstellar-envelopes-interstellar-clouds-and-planetary-atmospheres-quantum-dynamics-of-formation-and-evolution-1209.2827</loc><lastmod>2012-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-anions-in-circumstellar-envelopes-interstellar-clouds-and-planetary-atmospheres-quantum-dynamics-of-formation-and-evolution-1209.2827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-anions-in-circumstellar-envelopes-interstellar-clouds-and-planetary-atmospheres-quantum-dynamics-of-formation-and-evolution-1209.2827"/></url>
<url><loc>https://scifaro.com/en/abs/using-tensor-hypercontraction-density-fitting-to-achieve-an-o-l-4-cisd-algorithm-1209.2935</loc><lastmod>2012-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-tensor-hypercontraction-density-fitting-to-achieve-an-o-l-4-cisd-algorithm-1209.2935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-tensor-hypercontraction-density-fitting-to-achieve-an-o-l-4-cisd-algorithm-1209.2935"/></url>
<url><loc>https://scifaro.com/en/abs/cold-collisions-of-polyatomic-molecular-radicals-with-s-state-atoms-in-a-magnetic-field-an-ab-initio-study-of-he-ch2-x-collisions-1209.3071</loc><lastmod>2012-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-collisions-of-polyatomic-molecular-radicals-with-s-state-atoms-in-a-magnetic-field-an-ab-initio-study-of-he-ch2-x-collisions-1209.3071"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-collisions-of-polyatomic-molecular-radicals-with-s-state-atoms-in-a-magnetic-field-an-ab-initio-study-of-he-ch2-x-collisions-1209.3071"/></url>
<url><loc>https://scifaro.com/en/abs/physical-features-of-accumulation-and-distribution-processes-of-small-disperse-coal-dust-precipitations-and-absorbed-radioactive-chemical-elements-in-iodine-air-filter-at-nuclear-power-plant-1209.3151</loc><lastmod>2012-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physical-features-of-accumulation-and-distribution-processes-of-small-disperse-coal-dust-precipitations-and-absorbed-radioactive-chemical-elements-in-iodine-air-filter-at-nuclear-power-plant-1209.3151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physical-features-of-accumulation-and-distribution-processes-of-small-disperse-coal-dust-precipitations-and-absorbed-radioactive-chemical-elements-in-iodine-air-filter-at-nuclear-power-plant-1209.3151"/></url>
<url><loc>https://scifaro.com/en/abs/stabilization-of-step-electrolyses-in-lithium-free-molten-carbonates-1209.3512</loc><lastmod>2012-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stabilization-of-step-electrolyses-in-lithium-free-molten-carbonates-1209.3512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stabilization-of-step-electrolyses-in-lithium-free-molten-carbonates-1209.3512"/></url>
<url><loc>https://scifaro.com/en/abs/chaos-in-oscillatory-heat-evolution-accompanying-the-sorption-of-hydrogen-and-deuterium-in-palladium-1209.3873</loc><lastmod>2012-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chaos-in-oscillatory-heat-evolution-accompanying-the-sorption-of-hydrogen-and-deuterium-in-palladium-1209.3873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chaos-in-oscillatory-heat-evolution-accompanying-the-sorption-of-hydrogen-and-deuterium-in-palladium-1209.3873"/></url>
<url><loc>https://scifaro.com/en/abs/emergence-of-critical-phenomena-in-full-configuration-interaction-quantum-monte-carlo-1209.4023</loc><lastmod>2012-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/emergence-of-critical-phenomena-in-full-configuration-interaction-quantum-monte-carlo-1209.4023"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/emergence-of-critical-phenomena-in-full-configuration-interaction-quantum-monte-carlo-1209.4023"/></url>
<url><loc>https://scifaro.com/en/abs/high-density-amorphous-ice-a-path-integral-simulation-1209.4258</loc><lastmod>2012-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-density-amorphous-ice-a-path-integral-simulation-1209.4258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-density-amorphous-ice-a-path-integral-simulation-1209.4258"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-harmonic-approximation-of-thermodynamic-properties-of-ice-ih-ii-and-iii-1209.4775</loc><lastmod>2012-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-harmonic-approximation-of-thermodynamic-properties-of-ice-ih-ii-and-iii-1209.4775"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-harmonic-approximation-of-thermodynamic-properties-of-ice-ih-ii-and-iii-1209.4775"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-view-on-chemical-compound-space-gaining-rigorous-atomistic-control-of-molecular-properties-1209.5033</loc><lastmod>2012-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-view-on-chemical-compound-space-gaining-rigorous-atomistic-control-of-molecular-properties-1209.5033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-view-on-chemical-compound-space-gaining-rigorous-atomistic-control-of-molecular-properties-1209.5033"/></url>
<url><loc>https://scifaro.com/en/abs/non-empirically-tuned-range-separated-dft-accurately-predicts-both-fundamental-and-excitation-gaps-in-dna-and-rna-nucleobases-1209.5735</loc><lastmod>2015-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-empirically-tuned-range-separated-dft-accurately-predicts-both-fundamental-and-excitation-gaps-in-dna-and-rna-nucleobases-1209.5735"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-empirically-tuned-range-separated-dft-accurately-predicts-both-fundamental-and-excitation-gaps-in-dna-and-rna-nucleobases-1209.5735"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-study-of-rutile-vo2-surfaces-1209.6177</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-study-of-rutile-vo2-surfaces-1209.6177"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-study-of-rutile-vo2-surfaces-1209.6177"/></url>
<url><loc>https://scifaro.com/en/abs/does-the-derivative-of-the-energy-density-functional-provide-a-proper-quantitative-formulation-of-electronegativity-1209.6353</loc><lastmod>2012-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/does-the-derivative-of-the-energy-density-functional-provide-a-proper-quantitative-formulation-of-electronegativity-1209.6353"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/does-the-derivative-of-the-energy-density-functional-provide-a-proper-quantitative-formulation-of-electronegativity-1209.6353"/></url>
<url><loc>https://scifaro.com/en/abs/crossover-of-high-and-low-spin-states-in-transition-metal-complexes-1209.6432</loc><lastmod>2012-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crossover-of-high-and-low-spin-states-in-transition-metal-complexes-1209.6432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crossover-of-high-and-low-spin-states-in-transition-metal-complexes-1209.6432"/></url>
<url><loc>https://scifaro.com/en/abs/evaluating-the-role-of-lead-in-a-novel-ternary-catalysts-for-dmfcs-1209.6629</loc><lastmod>2012-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaluating-the-role-of-lead-in-a-novel-ternary-catalysts-for-dmfcs-1209.6629"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaluating-the-role-of-lead-in-a-novel-ternary-catalysts-for-dmfcs-1209.6629"/></url>
<url><loc>https://scifaro.com/en/abs/fingerprints-of-antiaromaticity-in-the-negative-ion-li-3-al-4-via-an-ab-initio-quantum-chemical-study-of-the-equilibrium-structure-of-the-inhomogeneous-electron-liquid-1210.0121</loc><lastmod>2013-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fingerprints-of-antiaromaticity-in-the-negative-ion-li-3-al-4-via-an-ab-initio-quantum-chemical-study-of-the-equilibrium-structure-of-the-inhomogeneous-electron-liquid-1210.0121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fingerprints-of-antiaromaticity-in-the-negative-ion-li-3-al-4-via-an-ab-initio-quantum-chemical-study-of-the-equilibrium-structure-of-the-inhomogeneous-electron-liquid-1210.0121"/></url>
<url><loc>https://scifaro.com/en/abs/oxygen-reduction-activity-on-perovskite-oxide-surfaces-a-comparative-first-principle-study-of-lamno-3-lafeo-3-and-lacro-3-1210.1554</loc><lastmod>2013-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oxygen-reduction-activity-on-perovskite-oxide-surfaces-a-comparative-first-principle-study-of-lamno-3-lafeo-3-and-lacro-3-1210.1554"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oxygen-reduction-activity-on-perovskite-oxide-surfaces-a-comparative-first-principle-study-of-lamno-3-lafeo-3-and-lacro-3-1210.1554"/></url>
<url><loc>https://scifaro.com/en/abs/mass-density-and-phonon-frequency-relaxation-dynamics-of-water-and-ice-at-cooling-1210.1634</loc><lastmod>2013-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mass-density-and-phonon-frequency-relaxation-dynamics-of-water-and-ice-at-cooling-1210.1634"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mass-density-and-phonon-frequency-relaxation-dynamics-of-water-and-ice-at-cooling-1210.1634"/></url>
<url><loc>https://scifaro.com/en/abs/mass-density-and-phonon-frequency-relaxation-dynamics-of-under-coordinated-water-molecules-1210.1638</loc><lastmod>2013-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mass-density-and-phonon-frequency-relaxation-dynamics-of-under-coordinated-water-molecules-1210.1638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mass-density-and-phonon-frequency-relaxation-dynamics-of-under-coordinated-water-molecules-1210.1638"/></url>
<url><loc>https://scifaro.com/en/abs/chiral-and-chemical-oscillations-in-a-simple-dimerization-model-1210.1872</loc><lastmod>2012-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chiral-and-chemical-oscillations-in-a-simple-dimerization-model-1210.1872"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chiral-and-chemical-oscillations-in-a-simple-dimerization-model-1210.1872"/></url>
<url><loc>https://scifaro.com/en/abs/hidden-force-opposing-ice-compression-1210.1913</loc><lastmod>2013-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hidden-force-opposing-ice-compression-1210.1913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hidden-force-opposing-ice-compression-1210.1913"/></url>
<url><loc>https://scifaro.com/en/abs/imaging-the-indirect-dissociation-dynamics-of-temporary-negative-ion-n2o-n2-o-1210.2173</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-the-indirect-dissociation-dynamics-of-temporary-negative-ion-n2o-n2-o-1210.2173"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-the-indirect-dissociation-dynamics-of-temporary-negative-ion-n2o-n2-o-1210.2173"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-free-ab-initio-molecular-dynamics-simulation-study-of-some-static-and-dynamic-properties-of-liquid-noble-metals-1210.2183</loc><lastmod>2012-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-free-ab-initio-molecular-dynamics-simulation-study-of-some-static-and-dynamic-properties-of-liquid-noble-metals-1210.2183"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-free-ab-initio-molecular-dynamics-simulation-study-of-some-static-and-dynamic-properties-of-liquid-noble-metals-1210.2183"/></url>
<url><loc>https://scifaro.com/en/abs/the-formation-and-characteristics-of-acrylonitrile-urea-inclusion-compound-1210.2517</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-formation-and-characteristics-of-acrylonitrile-urea-inclusion-compound-1210.2517"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-formation-and-characteristics-of-acrylonitrile-urea-inclusion-compound-1210.2517"/></url>
<url><loc>https://scifaro.com/en/abs/collection-efficiency-of-photoelectrons-injected-into-near-and-supercritical-argon-gas-1210.2651</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collection-efficiency-of-photoelectrons-injected-into-near-and-supercritical-argon-gas-1210.2651"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collection-efficiency-of-photoelectrons-injected-into-near-and-supercritical-argon-gas-1210.2651"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-sei-formation-in-rechargeable-batteries-capacity-fade-accelerated-aging-and-lifetime-prediction-1210.3672</loc><lastmod>2012-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-sei-formation-in-rechargeable-batteries-capacity-fade-accelerated-aging-and-lifetime-prediction-1210.3672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-sei-formation-in-rechargeable-batteries-capacity-fade-accelerated-aging-and-lifetime-prediction-1210.3672"/></url>
<url><loc>https://scifaro.com/en/abs/the-phase-diagram-of-ice-ih-ii-and-iii-a-quasi-harmonic-study-1210.4060</loc><lastmod>2012-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-phase-diagram-of-ice-ih-ii-and-iii-a-quasi-harmonic-study-1210.4060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-phase-diagram-of-ice-ih-ii-and-iii-a-quasi-harmonic-study-1210.4060"/></url>
<url><loc>https://scifaro.com/en/abs/x-ray-raman-scattering-of-water-near-the-critical-point-comparison-of-an-isotherm-and-isochore-1210.4274</loc><lastmod>2012-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/x-ray-raman-scattering-of-water-near-the-critical-point-comparison-of-an-isotherm-and-isochore-1210.4274"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/x-ray-raman-scattering-of-water-near-the-critical-point-comparison-of-an-isotherm-and-isochore-1210.4274"/></url>
<url><loc>https://scifaro.com/en/abs/node-less-atomic-wave-functions-pauli-repulsion-and-systematic-projector-augmentation-1210.5937</loc><lastmod>2012-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/node-less-atomic-wave-functions-pauli-repulsion-and-systematic-projector-augmentation-1210.5937"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/node-less-atomic-wave-functions-pauli-repulsion-and-systematic-projector-augmentation-1210.5937"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-state-resolved-bimolecular-collisions-of-velocity-controlled-oh-with-no-radicals-1210.5947</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-state-resolved-bimolecular-collisions-of-velocity-controlled-oh-with-no-radicals-1210.5947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-state-resolved-bimolecular-collisions-of-velocity-controlled-oh-with-no-radicals-1210.5947"/></url>
<url><loc>https://scifaro.com/en/abs/faddeev-random-phase-approximation-applied-to-molecules-1210.6186</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/faddeev-random-phase-approximation-applied-to-molecules-1210.6186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/faddeev-random-phase-approximation-applied-to-molecules-1210.6186"/></url>
<url><loc>https://scifaro.com/en/abs/two-dimensional-electronic-spectroscopy-using-incoherent-light-theoretical-analysis-1210.6665</loc><lastmod>2012-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-electronic-spectroscopy-using-incoherent-light-theoretical-analysis-1210.6665"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-electronic-spectroscopy-using-incoherent-light-theoretical-analysis-1210.6665"/></url>
<url><loc>https://scifaro.com/en/abs/phototransistor-behavior-based-on-dye-sensitized-solar-cell-1210.6731</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phototransistor-behavior-based-on-dye-sensitized-solar-cell-1210.6731"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phototransistor-behavior-based-on-dye-sensitized-solar-cell-1210.6731"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-local-hybrid-functional-treatment-of-selected-diatomic-molecules-comparison-of-energies-and-multipole-moments-to-conventional-hybrid-functionals-1210.6897</loc><lastmod>2012-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-local-hybrid-functional-treatment-of-selected-diatomic-molecules-comparison-of-energies-and-multipole-moments-to-conventional-hybrid-functionals-1210.6897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-local-hybrid-functional-treatment-of-selected-diatomic-molecules-comparison-of-energies-and-multipole-moments-to-conventional-hybrid-functionals-1210.6897"/></url>
<url><loc>https://scifaro.com/en/abs/a-critical-assessment-of-two-body-and-three-body-interactions-in-water-1210.7003</loc><lastmod>2012-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-critical-assessment-of-two-body-and-three-body-interactions-in-water-1210.7003"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-critical-assessment-of-two-body-and-three-body-interactions-in-water-1210.7003"/></url>
<url><loc>https://scifaro.com/en/abs/toward-a-universal-water-model-first-principles-simulations-from-the-dimer-to-the-liquid-phase-1210.7022</loc><lastmod>2012-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-a-universal-water-model-first-principles-simulations-from-the-dimer-to-the-liquid-phase-1210.7022"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-a-universal-water-model-first-principles-simulations-from-the-dimer-to-the-liquid-phase-1210.7022"/></url>
<url><loc>https://scifaro.com/en/abs/low-voltage-driving-phototransistor-based-on-dye-sensitized-nanocrystalline-titanium-dioxide-thin-films-1210.7087</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-voltage-driving-phototransistor-based-on-dye-sensitized-nanocrystalline-titanium-dioxide-thin-films-1210.7087"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-voltage-driving-phototransistor-based-on-dye-sensitized-nanocrystalline-titanium-dioxide-thin-films-1210.7087"/></url>
<url><loc>https://scifaro.com/en/abs/towards-the-kantorovich-dual-solution-for-strictly-correlated-electrons-in-atoms-and-molecules-1210.7117</loc><lastmod>2013-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-the-kantorovich-dual-solution-for-strictly-correlated-electrons-in-atoms-and-molecules-1210.7117"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-the-kantorovich-dual-solution-for-strictly-correlated-electrons-in-atoms-and-molecules-1210.7117"/></url>
<url><loc>https://scifaro.com/en/abs/resistance-switching-induced-by-electric-field-and-light-illumination-in-device-of-fto-ceo2-electrolyte-fto-1210.7558</loc><lastmod>2012-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resistance-switching-induced-by-electric-field-and-light-illumination-in-device-of-fto-ceo2-electrolyte-fto-1210.7558"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resistance-switching-induced-by-electric-field-and-light-illumination-in-device-of-fto-ceo2-electrolyte-fto-1210.7558"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-interactions-in-the-ozone-molecule-spectroscopic-and-dynamical-points-of-view-1210.7728</loc><lastmod>2017-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-interactions-in-the-ozone-molecule-spectroscopic-and-dynamical-points-of-view-1210.7728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-interactions-in-the-ozone-molecule-spectroscopic-and-dynamical-points-of-view-1210.7728"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-coordinate-rotation-on-3d-molecular-descriptors-computed-by-dragonx-1210.8048</loc><lastmod>2012-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-coordinate-rotation-on-3d-molecular-descriptors-computed-by-dragonx-1210.8048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-coordinate-rotation-on-3d-molecular-descriptors-computed-by-dragonx-1210.8048"/></url>
<url><loc>https://scifaro.com/en/abs/study-of-band-bending-effect-in-dye-sensitized-solar-cell-through-constant-current-discharging-voltage-decay-1210.8217</loc><lastmod>2012-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-of-band-bending-effect-in-dye-sensitized-solar-cell-through-constant-current-discharging-voltage-decay-1210.8217"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-of-band-bending-effect-in-dye-sensitized-solar-cell-through-constant-current-discharging-voltage-decay-1210.8217"/></url>
<url><loc>https://scifaro.com/en/abs/expeditious-stochastic-approach-for-mp2-energies-in-large-electronic-systems-1210.8279</loc><lastmod>2012-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/expeditious-stochastic-approach-for-mp2-energies-in-large-electronic-systems-1210.8279"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/expeditious-stochastic-approach-for-mp2-energies-in-large-electronic-systems-1210.8279"/></url>
<url><loc>https://scifaro.com/en/abs/bond-breaking-and-bond-formation-how-electron-correlation-is-captured-in-many-body-perturbation-theory-and-density-functional-theory-1210.8300</loc><lastmod>2013-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bond-breaking-and-bond-formation-how-electron-correlation-is-captured-in-many-body-perturbation-theory-and-density-functional-theory-1210.8300"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bond-breaking-and-bond-formation-how-electron-correlation-is-captured-in-many-body-perturbation-theory-and-density-functional-theory-1210.8300"/></url>
<url><loc>https://scifaro.com/en/abs/interatomic-methods-for-the-dispersion-energy-derived-from-the-adiabatic-connection-fluctuation-dissipation-theorem-1210.8343</loc><lastmod>2014-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interatomic-methods-for-the-dispersion-energy-derived-from-the-adiabatic-connection-fluctuation-dissipation-theorem-1210.8343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interatomic-methods-for-the-dispersion-energy-derived-from-the-adiabatic-connection-fluctuation-dissipation-theorem-1210.8343"/></url>
<url><loc>https://scifaro.com/en/abs/polarizable-surfaces-weak-and-strong-coupling-regimes-1210.8381</loc><lastmod>2012-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polarizable-surfaces-weak-and-strong-coupling-regimes-1210.8381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polarizable-surfaces-weak-and-strong-coupling-regimes-1210.8381"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-polaron-transformed-explicitly-correlated-full-configuration-interaction-method-for-investigation-of-quantum-confined-stark-effect-in-gaas-quantum-dots-1211.0094</loc><lastmod>2013-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-polaron-transformed-explicitly-correlated-full-configuration-interaction-method-for-investigation-of-quantum-confined-stark-effect-in-gaas-quantum-dots-1211.0094"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-polaron-transformed-explicitly-correlated-full-configuration-interaction-method-for-investigation-of-quantum-confined-stark-effect-in-gaas-quantum-dots-1211.0094"/></url>
<url><loc>https://scifaro.com/en/abs/asymptotic-correction-schemes-for-semilocal-exchange-correlation-functionals-1211.0385</loc><lastmod>2013-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymptotic-correction-schemes-for-semilocal-exchange-correlation-functionals-1211.0385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymptotic-correction-schemes-for-semilocal-exchange-correlation-functionals-1211.0385"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-corrected-hybrid-density-functionals-with-improved-dispersion-corrections-1211.0387</loc><lastmod>2013-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-corrected-hybrid-density-functionals-with-improved-dispersion-corrections-1211.0387"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-corrected-hybrid-density-functionals-with-improved-dispersion-corrections-1211.0387"/></url>
<url><loc>https://scifaro.com/en/abs/restoration-of-the-derivative-discontinuity-in-kohn-sham-density-functional-theory-an-efficient-scheme-for-energy-gap-correction-1211.0590</loc><lastmod>2013-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/restoration-of-the-derivative-discontinuity-in-kohn-sham-density-functional-theory-an-efficient-scheme-for-energy-gap-correction-1211.0590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/restoration-of-the-derivative-discontinuity-in-kohn-sham-density-functional-theory-an-efficient-scheme-for-energy-gap-correction-1211.0590"/></url>
<url><loc>https://scifaro.com/en/abs/mechanism-and-kinetics-of-hydrated-electron-diffusion-1211.0669</loc><lastmod>2012-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanism-and-kinetics-of-hydrated-electron-diffusion-1211.0669"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanism-and-kinetics-of-hydrated-electron-diffusion-1211.0669"/></url>
<url><loc>https://scifaro.com/en/abs/high-harmonic-transient-grating-spectroscopy-of-no2-electronic-relaxation-1211.0917</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-harmonic-transient-grating-spectroscopy-of-no2-electronic-relaxation-1211.0917"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-harmonic-transient-grating-spectroscopy-of-no2-electronic-relaxation-1211.0917"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-generalized-gibbs-approach-j-chem-phys-119-6166-2003-124-194503-2006-1211.1085</loc><lastmod>2013-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-generalized-gibbs-approach-j-chem-phys-119-6166-2003-124-194503-2006-1211.1085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-generalized-gibbs-approach-j-chem-phys-119-6166-2003-124-194503-2006-1211.1085"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-hierarchy-equations-of-motion-approach-with-drude-plus-brownian-spectral-distribution-probing-electron-transfer-processes-by-means-of-two-dimensionalcorrelation-spectroscopy-1211.1469</loc><lastmod>2013-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-hierarchy-equations-of-motion-approach-with-drude-plus-brownian-spectral-distribution-probing-electron-transfer-processes-by-means-of-two-dimensionalcorrelation-spectroscopy-1211.1469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-hierarchy-equations-of-motion-approach-with-drude-plus-brownian-spectral-distribution-probing-electron-transfer-processes-by-means-of-two-dimensionalcorrelation-spectroscopy-1211.1469"/></url>
<url><loc>https://scifaro.com/en/abs/universal-dynamical-steps-in-the-exact-time-dependent-exchange-correlation-potential-1211.2012</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-dynamical-steps-in-the-exact-time-dependent-exchange-correlation-potential-1211.2012"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-dynamical-steps-in-the-exact-time-dependent-exchange-correlation-potential-1211.2012"/></url>
<url><loc>https://scifaro.com/en/abs/fundamentals-of-time-resolved-charge-transfer-in-time-dependent-density-functional-theory-1211.2849</loc><lastmod>2014-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fundamentals-of-time-resolved-charge-transfer-in-time-dependent-density-functional-theory-1211.2849"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fundamentals-of-time-resolved-charge-transfer-in-time-dependent-density-functional-theory-1211.2849"/></url>
<url><loc>https://scifaro.com/en/abs/carrier-envelope-phase-dependent-dissociation-of-hydrogen-1211.2856</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/carrier-envelope-phase-dependent-dissociation-of-hydrogen-1211.2856"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/carrier-envelope-phase-dependent-dissociation-of-hydrogen-1211.2856"/></url>
<url><loc>https://scifaro.com/en/abs/variational-solution-of-congruent-transformed-hamiltonian-for-many-electron-systems-using-full-configuration-interaction-calculation-1211.3213</loc><lastmod>2012-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-solution-of-congruent-transformed-hamiltonian-for-many-electron-systems-using-full-configuration-interaction-calculation-1211.3213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-solution-of-congruent-transformed-hamiltonian-for-many-electron-systems-using-full-configuration-interaction-calculation-1211.3213"/></url>
<url><loc>https://scifaro.com/en/abs/modifying-molecular-scattering-from-rough-solid-surfaces-using-ultrashort-laser-pulses-1211.4211</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modifying-molecular-scattering-from-rough-solid-surfaces-using-ultrashort-laser-pulses-1211.4211"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modifying-molecular-scattering-from-rough-solid-surfaces-using-ultrashort-laser-pulses-1211.4211"/></url>
<url><loc>https://scifaro.com/en/abs/enhancement-of-vibronic-and-ground-state-vibrational-coherences-in-2d-spectra-of-photosynthetic-complexes-1211.4397</loc><lastmod>2016-05-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancement-of-vibronic-and-ground-state-vibrational-coherences-in-2d-spectra-of-photosynthetic-complexes-1211.4397"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancement-of-vibronic-and-ground-state-vibrational-coherences-in-2d-spectra-of-photosynthetic-complexes-1211.4397"/></url>
<url><loc>https://scifaro.com/en/abs/multi-configuration-time-dependent-density-functional-theory-based-on-range-separation-1211.4829</loc><lastmod>2013-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-configuration-time-dependent-density-functional-theory-based-on-range-separation-1211.4829"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-configuration-time-dependent-density-functional-theory-based-on-range-separation-1211.4829"/></url>
<url><loc>https://scifaro.com/en/abs/an-accurate-and-linear-scaling-method-to-calculate-charge-transfer-excitation-energies-and-diabatic-couplings-1211.4880</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-accurate-and-linear-scaling-method-to-calculate-charge-transfer-excitation-energies-and-diabatic-couplings-1211.4880"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-accurate-and-linear-scaling-method-to-calculate-charge-transfer-excitation-energies-and-diabatic-couplings-1211.4880"/></url>
<url><loc>https://scifaro.com/en/abs/solvation-of-complex-surfaces-via-molecular-density-functional-theory-1211.4884</loc><lastmod>2013-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvation-of-complex-surfaces-via-molecular-density-functional-theory-1211.4884"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvation-of-complex-surfaces-via-molecular-density-functional-theory-1211.4884"/></url>
<url><loc>https://scifaro.com/en/abs/electroluminescence-and-photoluminescence-of-conjugated-polymer-films-prepared-by-plasma-enhanced-chemical-vapor-deposition-of-naphthalene-1211.5282</loc><lastmod>2012-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electroluminescence-and-photoluminescence-of-conjugated-polymer-films-prepared-by-plasma-enhanced-chemical-vapor-deposition-of-naphthalene-1211.5282"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electroluminescence-and-photoluminescence-of-conjugated-polymer-films-prepared-by-plasma-enhanced-chemical-vapor-deposition-of-naphthalene-1211.5282"/></url>
<url><loc>https://scifaro.com/en/abs/minimum-energy-pathways-via-quantum-monte-carlo-1211.5462</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/minimum-energy-pathways-via-quantum-monte-carlo-1211.5462"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/minimum-energy-pathways-via-quantum-monte-carlo-1211.5462"/></url>
<url><loc>https://scifaro.com/en/abs/nmr-chemical-shift-as-analytical-derivative-of-the-helmholtz-free-energy-1211.5891</loc><lastmod>2014-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nmr-chemical-shift-as-analytical-derivative-of-the-helmholtz-free-energy-1211.5891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nmr-chemical-shift-as-analytical-derivative-of-the-helmholtz-free-energy-1211.5891"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-embedding-for-correlated-wavefunctions-improved-methods-for-open-shell-systems-and-transition-metal-complexes-1211.6052</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-embedding-for-correlated-wavefunctions-improved-methods-for-open-shell-systems-and-transition-metal-complexes-1211.6052"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-embedding-for-correlated-wavefunctions-improved-methods-for-open-shell-systems-and-transition-metal-complexes-1211.6052"/></url>
<url><loc>https://scifaro.com/en/abs/study-of-interfacial-tension-between-an-organic-solvent-and-aqueous-electrolyte-solutions-using-electrostatic-dissipative-particle-dynamics-simulations-1211.6671</loc><lastmod>2012-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-of-interfacial-tension-between-an-organic-solvent-and-aqueous-electrolyte-solutions-using-electrostatic-dissipative-particle-dynamics-simulations-1211.6671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-of-interfacial-tension-between-an-organic-solvent-and-aqueous-electrolyte-solutions-using-electrostatic-dissipative-particle-dynamics-simulations-1211.6671"/></url>
<url><loc>https://scifaro.com/en/abs/sensitive-magnetic-control-of-ensemble-nuclear-spin-hyperpolarisation-in-diamond-1212.0035</loc><lastmod>2012-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sensitive-magnetic-control-of-ensemble-nuclear-spin-hyperpolarisation-in-diamond-1212.0035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sensitive-magnetic-control-of-ensemble-nuclear-spin-hyperpolarisation-in-diamond-1212.0035"/></url>
<url><loc>https://scifaro.com/en/abs/reconstruction-of-the-environmental-correlation-function-from-single-emitter-photon-statistics-a-non-markovian-approach-1212.0400</loc><lastmod>2013-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reconstruction-of-the-environmental-correlation-function-from-single-emitter-photon-statistics-a-non-markovian-approach-1212.0400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reconstruction-of-the-environmental-correlation-function-from-single-emitter-photon-statistics-a-non-markovian-approach-1212.0400"/></url>
<url><loc>https://scifaro.com/en/abs/estudio-del-proceso-de-adsorci-on-desorci-on-de-contaminantes-en-medios-confinados-mediante-simulaciones-computacionales-1212.0842</loc><lastmod>2012-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/estudio-del-proceso-de-adsorci-on-desorci-on-de-contaminantes-en-medios-confinados-mediante-simulaciones-computacionales-1212.0842"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/estudio-del-proceso-de-adsorci-on-desorci-on-de-contaminantes-en-medios-confinados-mediante-simulaciones-computacionales-1212.0842"/></url>
<url><loc>https://scifaro.com/en/abs/a-configurational-entropy-loss-law-for-the-non-arrhenius-relaxation-in-disordered-systems-1212.0933</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-configurational-entropy-loss-law-for-the-non-arrhenius-relaxation-in-disordered-systems-1212.0933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-configurational-entropy-loss-law-for-the-non-arrhenius-relaxation-in-disordered-systems-1212.0933"/></url>
<url><loc>https://scifaro.com/en/abs/the-quest-for-a-universal-density-functional-the-accuracy-of-density-functionals-across-a-broad-spectrum-of-databases-in-chemistry-and-physics-1212.0944</loc><lastmod>2013-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-quest-for-a-universal-density-functional-the-accuracy-of-density-functionals-across-a-broad-spectrum-of-databases-in-chemistry-and-physics-1212.0944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-quest-for-a-universal-density-functional-the-accuracy-of-density-functionals-across-a-broad-spectrum-of-databases-in-chemistry-and-physics-1212.0944"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-of-quasi-isoenergetic-transition-processes-in-biological-macromolecules-1212.0999</loc><lastmod>2012-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-of-quasi-isoenergetic-transition-processes-in-biological-macromolecules-1212.0999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-of-quasi-isoenergetic-transition-processes-in-biological-macromolecules-1212.0999"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-extension-of-density-functional-theory-iii-zero-temperature-limit-of-the-ensemble-spin-density-functional-theory-1212.1367</loc><lastmod>2013-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-extension-of-density-functional-theory-iii-zero-temperature-limit-of-the-ensemble-spin-density-functional-theory-1212.1367"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-extension-of-density-functional-theory-iii-zero-temperature-limit-of-the-ensemble-spin-density-functional-theory-1212.1367"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-optimal-calculation-of-the-pair-correlation-function-for-an-orthorombic-system-1212.1499</loc><lastmod>2014-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-optimal-calculation-of-the-pair-correlation-function-for-an-orthorombic-system-1212.1499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-optimal-calculation-of-the-pair-correlation-function-for-an-orthorombic-system-1212.1499"/></url>
<url><loc>https://scifaro.com/en/abs/in-situ-electron-energy-loss-spectroscopy-in-liquids-1212.1501</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-situ-electron-energy-loss-spectroscopy-in-liquids-1212.1501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-situ-electron-energy-loss-spectroscopy-in-liquids-1212.1501"/></url>
<url><loc>https://scifaro.com/en/abs/a-method-of-comparison-between-a-force-curve-measured-on-a-solvated-surface-and-the-solvation-structure-1212.1888</loc><lastmod>2013-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-method-of-comparison-between-a-force-curve-measured-on-a-solvated-surface-and-the-solvation-structure-1212.1888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-method-of-comparison-between-a-force-curve-measured-on-a-solvated-surface-and-the-solvation-structure-1212.1888"/></url>
<url><loc>https://scifaro.com/en/abs/calculations-of-potential-energy-surfaces-using-monte-carlo-configuration-interaction-1212.2526</loc><lastmod>2012-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculations-of-potential-energy-surfaces-using-monte-carlo-configuration-interaction-1212.2526"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculations-of-potential-energy-surfaces-using-monte-carlo-configuration-interaction-1212.2526"/></url>
<url><loc>https://scifaro.com/en/abs/impulsive-laser-induced-alignment-of-molecules-dissolved-in-helium-nanodroplets-1212.2862</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impulsive-laser-induced-alignment-of-molecules-dissolved-in-helium-nanodroplets-1212.2862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impulsive-laser-induced-alignment-of-molecules-dissolved-in-helium-nanodroplets-1212.2862"/></url>
<url><loc>https://scifaro.com/en/abs/speeding-chemical-reactions-by-focusing-1212.3024</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speeding-chemical-reactions-by-focusing-1212.3024"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speeding-chemical-reactions-by-focusing-1212.3024"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-and-reducing-errors-in-density-functional-calculations-1212.3054</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-and-reducing-errors-in-density-functional-calculations-1212.3054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-and-reducing-errors-in-density-functional-calculations-1212.3054"/></url>
<url><loc>https://scifaro.com/en/abs/strong-correlations-in-density-functional-theory-a-model-of-spin-charge-and-spin-orbital-separations-1212.3241</loc><lastmod>2014-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-correlations-in-density-functional-theory-a-model-of-spin-charge-and-spin-orbital-separations-1212.3241"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-correlations-in-density-functional-theory-a-model-of-spin-charge-and-spin-orbital-separations-1212.3241"/></url>
<url><loc>https://scifaro.com/en/abs/device-model-of-silicon-nanowire-biofets-1212.3309</loc><lastmod>2012-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/device-model-of-silicon-nanowire-biofets-1212.3309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/device-model-of-silicon-nanowire-biofets-1212.3309"/></url>
<url><loc>https://scifaro.com/en/abs/differential-scattering-cross-sections-for-the-different-product-vibrational-states-in-the-ion-molecule-reaction-ar-n2-1212.3429</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/differential-scattering-cross-sections-for-the-different-product-vibrational-states-in-the-ion-molecule-reaction-ar-n2-1212.3429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/differential-scattering-cross-sections-for-the-different-product-vibrational-states-in-the-ion-molecule-reaction-ar-n2-1212.3429"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-the-sampling-weight-in-evaluating-classical-time-autocorrelation-functions-1212.3463</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-the-sampling-weight-in-evaluating-classical-time-autocorrelation-functions-1212.3463"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-the-sampling-weight-in-evaluating-classical-time-autocorrelation-functions-1212.3463"/></url>
<url><loc>https://scifaro.com/en/abs/anomalies-in-a-waterlike-model-confined-between-plates-1212.3484</loc><lastmod>2013-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anomalies-in-a-waterlike-model-confined-between-plates-1212.3484"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anomalies-in-a-waterlike-model-confined-between-plates-1212.3484"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-density-functional-methods-with-correct-asymptotic-behavior-1212.3488</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-density-functional-methods-with-correct-asymptotic-behavior-1212.3488"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-density-functional-methods-with-correct-asymptotic-behavior-1212.3488"/></url>
<url><loc>https://scifaro.com/en/abs/elimination-of-the-translational-kinetic-energy-contamination-in-pre-born-oppenheimer-calculations-1212.3700</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elimination-of-the-translational-kinetic-energy-contamination-in-pre-born-oppenheimer-calculations-1212.3700"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elimination-of-the-translational-kinetic-energy-contamination-in-pre-born-oppenheimer-calculations-1212.3700"/></url>
<url><loc>https://scifaro.com/en/abs/enhancement-of-strong-field-multiple-ionization-in-the-vicinity-of-the-conical-intersection-in-1-3-cyclohexadiene-ring-opening-1212.3728</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancement-of-strong-field-multiple-ionization-in-the-vicinity-of-the-conical-intersection-in-1-3-cyclohexadiene-ring-opening-1212.3728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancement-of-strong-field-multiple-ionization-in-the-vicinity-of-the-conical-intersection-in-1-3-cyclohexadiene-ring-opening-1212.3728"/></url>
<url><loc>https://scifaro.com/en/abs/paramagnetic-nmr-chemical-shift-in-a-spin-state-subject-to-zero-field-splitting-1212.3830</loc><lastmod>2014-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/paramagnetic-nmr-chemical-shift-in-a-spin-state-subject-to-zero-field-splitting-1212.3830"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/paramagnetic-nmr-chemical-shift-in-a-spin-state-subject-to-zero-field-splitting-1212.3830"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-the-second-hyperpolarizability-with-minimally-parametrized-potentials-1212.4069</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-the-second-hyperpolarizability-with-minimally-parametrized-potentials-1212.4069"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-the-second-hyperpolarizability-with-minimally-parametrized-potentials-1212.4069"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-subsystem-formulation-of-linear-response-time-dependent-dft-1212.4121</loc><lastmod>2013-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-subsystem-formulation-of-linear-response-time-dependent-dft-1212.4121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-subsystem-formulation-of-linear-response-time-dependent-dft-1212.4121"/></url>
<url><loc>https://scifaro.com/en/abs/mirror-symmetry-breaking-with-limited-enantioselective-autocatalysis-and-temperature-gradients-a-stability-survey-1212.4363</loc><lastmod>2012-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mirror-symmetry-breaking-with-limited-enantioselective-autocatalysis-and-temperature-gradients-a-stability-survey-1212.4363"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mirror-symmetry-breaking-with-limited-enantioselective-autocatalysis-and-temperature-gradients-a-stability-survey-1212.4363"/></url>
<url><loc>https://scifaro.com/en/abs/the-ground-state-of-the-rm-h-3-molecular-ion-physics-behind-1212.4552</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-ground-state-of-the-rm-h-3-molecular-ion-physics-behind-1212.4552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-ground-state-of-the-rm-h-3-molecular-ion-physics-behind-1212.4552"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-capping-synthesis-of-nickel-oxide-nanoparticles-and-their-characterizations-studies-1212.4595</loc><lastmod>2014-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-capping-synthesis-of-nickel-oxide-nanoparticles-and-their-characterizations-studies-1212.4595"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-capping-synthesis-of-nickel-oxide-nanoparticles-and-their-characterizations-studies-1212.4595"/></url>
<url><loc>https://scifaro.com/en/abs/correlated-dynamics-of-the-motion-of-proton-hole-wave-packets-in-a-photoionized-water-cluster-1212.4686</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlated-dynamics-of-the-motion-of-proton-hole-wave-packets-in-a-photoionized-water-cluster-1212.4686"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlated-dynamics-of-the-motion-of-proton-hole-wave-packets-in-a-photoionized-water-cluster-1212.4686"/></url>
<url><loc>https://scifaro.com/en/abs/energy-transfer-in-finite-size-exciton-phonon-systems-confinement-enhanced-quantum-decoherence-1212.5062</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-transfer-in-finite-size-exciton-phonon-systems-confinement-enhanced-quantum-decoherence-1212.5062"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-transfer-in-finite-size-exciton-phonon-systems-confinement-enhanced-quantum-decoherence-1212.5062"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-modelling-of-a-sugar-boiling-process-1212.5251</loc><lastmod>2012-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-modelling-of-a-sugar-boiling-process-1212.5251"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-modelling-of-a-sugar-boiling-process-1212.5251"/></url>
<url><loc>https://scifaro.com/en/abs/multichannel-quantum-defect-theory-for-cold-molecular-collisions-with-a-strongly-anisotropic-potential-energy-surface-1212.5290</loc><lastmod>2013-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multichannel-quantum-defect-theory-for-cold-molecular-collisions-with-a-strongly-anisotropic-potential-energy-surface-1212.5290"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multichannel-quantum-defect-theory-for-cold-molecular-collisions-with-a-strongly-anisotropic-potential-energy-surface-1212.5290"/></url>
<url><loc>https://scifaro.com/en/abs/interfaces-of-propylene-carbonate-1212.5304</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interfaces-of-propylene-carbonate-1212.5304"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interfaces-of-propylene-carbonate-1212.5304"/></url>
<url><loc>https://scifaro.com/en/abs/a-dft-investigation-of-methanolysis-and-hydrolysis-of-triacetin-1212.5655</loc><lastmod>2015-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-dft-investigation-of-methanolysis-and-hydrolysis-of-triacetin-1212.5655"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-dft-investigation-of-methanolysis-and-hydrolysis-of-triacetin-1212.5655"/></url>
<url><loc>https://scifaro.com/en/abs/konjac-bio-molecules-assisted-rod-spherical-shaped-lead-nano-powder-synthesized-by-electrolytic-process-and-its-characterization-studies-1212.5795</loc><lastmod>2012-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/konjac-bio-molecules-assisted-rod-spherical-shaped-lead-nano-powder-synthesized-by-electrolytic-process-and-its-characterization-studies-1212.5795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/konjac-bio-molecules-assisted-rod-spherical-shaped-lead-nano-powder-synthesized-by-electrolytic-process-and-its-characterization-studies-1212.5795"/></url>
<url><loc>https://scifaro.com/en/abs/estimating-time-correlation-functions-by-sampling-and-unbiasing-dynamically-activated-events-1212.5892</loc><lastmod>2015-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/estimating-time-correlation-functions-by-sampling-and-unbiasing-dynamically-activated-events-1212.5892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/estimating-time-correlation-functions-by-sampling-and-unbiasing-dynamically-activated-events-1212.5892"/></url>
<url><loc>https://scifaro.com/en/abs/the-generalized-relativistic-effective-core-potential-calculations-of-the-adiabatic-potential-curve-and-spectroscopic-constants-for-the-ground-electronic-state-of-the-ca2-1212.5923</loc><lastmod>2012-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-generalized-relativistic-effective-core-potential-calculations-of-the-adiabatic-potential-curve-and-spectroscopic-constants-for-the-ground-electronic-state-of-the-ca2-1212.5923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-generalized-relativistic-effective-core-potential-calculations-of-the-adiabatic-potential-curve-and-spectroscopic-constants-for-the-ground-electronic-state-of-the-ca2-1212.5923"/></url>
<url><loc>https://scifaro.com/en/abs/norm-conserving-pseudopotentials-with-chemical-accuracy-compared-to-all-electron-calculations-1212.6011</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/norm-conserving-pseudopotentials-with-chemical-accuracy-compared-to-all-electron-calculations-1212.6011"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/norm-conserving-pseudopotentials-with-chemical-accuracy-compared-to-all-electron-calculations-1212.6011"/></url>
<url><loc>https://scifaro.com/en/abs/relation-between-a-force-curve-measured-on-a-solvated-surface-and-the-solvation-structure-relational-expressions-for-a-binary-solvent-and-a-molecular-liquid-1212.6138</loc><lastmod>2013-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relation-between-a-force-curve-measured-on-a-solvated-surface-and-the-solvation-structure-relational-expressions-for-a-binary-solvent-and-a-molecular-liquid-1212.6138"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relation-between-a-force-curve-measured-on-a-solvated-surface-and-the-solvation-structure-relational-expressions-for-a-binary-solvent-and-a-molecular-liquid-1212.6138"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-enzymatic-catalysis-using-the-effective-fragment-molecular-orbital-method-towards-all-ab-initio-biochemistry-1212.6172</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-enzymatic-catalysis-using-the-effective-fragment-molecular-orbital-method-towards-all-ab-initio-biochemistry-1212.6172"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-enzymatic-catalysis-using-the-effective-fragment-molecular-orbital-method-towards-all-ab-initio-biochemistry-1212.6172"/></url>
<url><loc>https://scifaro.com/en/abs/expeditious-stochastic-calculation-of-random-phase-approximation-energies-for-thousands-of-electrons-in-3-dimensions-1212.6302</loc><lastmod>2013-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/expeditious-stochastic-calculation-of-random-phase-approximation-energies-for-thousands-of-electrons-in-3-dimensions-1212.6302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/expeditious-stochastic-calculation-of-random-phase-approximation-energies-for-thousands-of-electrons-in-3-dimensions-1212.6302"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-and-ph-driven-association-in-uranyl-aqueous-solutions-1212.6357</loc><lastmod>2013-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-and-ph-driven-association-in-uranyl-aqueous-solutions-1212.6357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-and-ph-driven-association-in-uranyl-aqueous-solutions-1212.6357"/></url>
<url><loc>https://scifaro.com/en/abs/breakup-of-h-2-by-photon-impact-1301.0153</loc><lastmod>2013-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/breakup-of-h-2-by-photon-impact-1301.0153"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/breakup-of-h-2-by-photon-impact-1301.0153"/></url>
<url><loc>https://scifaro.com/en/abs/exact-wave-functions-for-concentric-two-electron-systems-1301.0649</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-wave-functions-for-concentric-two-electron-systems-1301.0649"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-wave-functions-for-concentric-two-electron-systems-1301.0649"/></url>
<url><loc>https://scifaro.com/en/abs/energy-transfer-properties-and-absorption-spectra-of-the-fmo-complex-from-exact-pimc-calculations-to-tcl-master-equations-1301.0839</loc><lastmod>2013-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-transfer-properties-and-absorption-spectra-of-the-fmo-complex-from-exact-pimc-calculations-to-tcl-master-equations-1301.0839"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-transfer-properties-and-absorption-spectra-of-the-fmo-complex-from-exact-pimc-calculations-to-tcl-master-equations-1301.0839"/></url>
<url><loc>https://scifaro.com/en/abs/effective-hamiltonian-crystal-field-for-magnetic-interactions-in-polynuclear-transition-metal-complexes-sequential-derivation-and-exemplary-numerical-estimates-1301.1036</loc><lastmod>2013-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effective-hamiltonian-crystal-field-for-magnetic-interactions-in-polynuclear-transition-metal-complexes-sequential-derivation-and-exemplary-numerical-estimates-1301.1036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effective-hamiltonian-crystal-field-for-magnetic-interactions-in-polynuclear-transition-metal-complexes-sequential-derivation-and-exemplary-numerical-estimates-1301.1036"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-tests-of-the-correlated-chromophore-domain-model-of-self-healing-in-a-dye-doped-polymer-1301.1088</loc><lastmod>2013-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-tests-of-the-correlated-chromophore-domain-model-of-self-healing-in-a-dye-doped-polymer-1301.1088"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-tests-of-the-correlated-chromophore-domain-model-of-self-healing-in-a-dye-doped-polymer-1301.1088"/></url>
<url><loc>https://scifaro.com/en/abs/flexible-fiber-batteries-for-applications-in-smart-textiles-1301.1266</loc><lastmod>2019-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/flexible-fiber-batteries-for-applications-in-smart-textiles-1301.1266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/flexible-fiber-batteries-for-applications-in-smart-textiles-1301.1266"/></url>
<url><loc>https://scifaro.com/en/abs/spontaneous-symmetry-breaking-and-strong-deformations-in-metal-adsorbed-graphene-sheets-1301.1362</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spontaneous-symmetry-breaking-and-strong-deformations-in-metal-adsorbed-graphene-sheets-1301.1362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spontaneous-symmetry-breaking-and-strong-deformations-in-metal-adsorbed-graphene-sheets-1301.1362"/></url>
<url><loc>https://scifaro.com/en/abs/low-energy-electron-collisions-with-o-2-test-of-molecular-r-matrix-without-diagonalization-1301.1402</loc><lastmod>2013-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-energy-electron-collisions-with-o-2-test-of-molecular-r-matrix-without-diagonalization-1301.1402"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-energy-electron-collisions-with-o-2-test-of-molecular-r-matrix-without-diagonalization-1301.1402"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-reactive-scattering-of-ultracold-nh-x-3-sigma-radicals-in-a-magnetic-trap-1301.1931</loc><lastmod>2013-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-reactive-scattering-of-ultracold-nh-x-3-sigma-radicals-in-a-magnetic-trap-1301.1931"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-reactive-scattering-of-ultracold-nh-x-3-sigma-radicals-in-a-magnetic-trap-1301.1931"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-bayesian-estimation-of-markov-model-transition-matrices-with-given-stationary-distribution-1301.2078</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-bayesian-estimation-of-markov-model-transition-matrices-with-given-stationary-distribution-1301.2078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-bayesian-estimation-of-markov-model-transition-matrices-with-given-stationary-distribution-1301.2078"/></url>
<url><loc>https://scifaro.com/en/abs/stark-deceleration-of-no-radicals-1301.2136</loc><lastmod>2013-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stark-deceleration-of-no-radicals-1301.2136"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stark-deceleration-of-no-radicals-1301.2136"/></url>
<url><loc>https://scifaro.com/en/abs/graphene-metal-adsorption-as-a-model-chemistry-for-atmospheric-reactions-1301.2148</loc><lastmod>2016-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graphene-metal-adsorption-as-a-model-chemistry-for-atmospheric-reactions-1301.2148"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graphene-metal-adsorption-as-a-model-chemistry-for-atmospheric-reactions-1301.2148"/></url>
<url><loc>https://scifaro.com/en/abs/on-transition-rates-in-surface-hopping-1301.2183</loc><lastmod>2013-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-transition-rates-in-surface-hopping-1301.2183"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-transition-rates-in-surface-hopping-1301.2183"/></url>
<url><loc>https://scifaro.com/en/abs/semilocal-and-hybrid-meta-generalized-gradient-approximations-based-on-the-understanding-of-the-kinetic-energy-density-dependence-1301.2239</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semilocal-and-hybrid-meta-generalized-gradient-approximations-based-on-the-understanding-of-the-kinetic-energy-density-dependence-1301.2239"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semilocal-and-hybrid-meta-generalized-gradient-approximations-based-on-the-understanding-of-the-kinetic-energy-density-dependence-1301.2239"/></url>
<url><loc>https://scifaro.com/en/abs/extremal-property-of-a-simple-cycle-1301.2379</loc><lastmod>2013-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extremal-property-of-a-simple-cycle-1301.2379"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extremal-property-of-a-simple-cycle-1301.2379"/></url>
<url><loc>https://scifaro.com/en/abs/elemental-characterization-of-the-avogadro-silicon-crystal-waso-04-by-neutron-activation-analysis-1301.2693</loc><lastmod>2013-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elemental-characterization-of-the-avogadro-silicon-crystal-waso-04-by-neutron-activation-analysis-1301.2693"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elemental-characterization-of-the-avogadro-silicon-crystal-waso-04-by-neutron-activation-analysis-1301.2693"/></url>
<url><loc>https://scifaro.com/en/abs/photodissociation-and-radiative-association-of-heh-in-the-metastable-triplet-state-1301.3074</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photodissociation-and-radiative-association-of-heh-in-the-metastable-triplet-state-1301.3074"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photodissociation-and-radiative-association-of-heh-in-the-metastable-triplet-state-1301.3074"/></url>
<url><loc>https://scifaro.com/en/abs/delayed-ultrafast-x-ray-auger-probing-duxap-of-nucleobase-ultraviolet-photoprotection-1301.3104</loc><lastmod>2013-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/delayed-ultrafast-x-ray-auger-probing-duxap-of-nucleobase-ultraviolet-photoprotection-1301.3104"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/delayed-ultrafast-x-ray-auger-probing-duxap-of-nucleobase-ultraviolet-photoprotection-1301.3104"/></url>
<url><loc>https://scifaro.com/en/abs/force-correcting-atom-centered-potentials-for-generalized-gradient-approximated-density-functional-theory-approaching-hybrid-functional-accuracy-for-geometries-and-harmonic-frequencies-in-small-chlorofluorocarbons-1301.3225</loc><lastmod>2016-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/force-correcting-atom-centered-potentials-for-generalized-gradient-approximated-density-functional-theory-approaching-hybrid-functional-accuracy-for-geometries-and-harmonic-frequencies-in-small-chlorofluorocarbons-1301.3225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/force-correcting-atom-centered-potentials-for-generalized-gradient-approximated-density-functional-theory-approaching-hybrid-functional-accuracy-for-geometries-and-harmonic-frequencies-in-small-chlorofluorocarbons-1301.3225"/></url>
<url><loc>https://scifaro.com/en/abs/structure-of-a-model-salt-bridge-in-solution-investigated-with-2d-ir-spectroscopy-1301.3415</loc><lastmod>2014-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-of-a-model-salt-bridge-in-solution-investigated-with-2d-ir-spectroscopy-1301.3415"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-of-a-model-salt-bridge-in-solution-investigated-with-2d-ir-spectroscopy-1301.3415"/></url>
<url><loc>https://scifaro.com/en/abs/tautomerism-in-liquid-1-2-3-triazole-a-combined-energy-dispersive-x-ray-diffraction-molecular-dynamics-and-ftir-study-1301.4355</loc><lastmod>2013-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tautomerism-in-liquid-1-2-3-triazole-a-combined-energy-dispersive-x-ray-diffraction-molecular-dynamics-and-ftir-study-1301.4355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tautomerism-in-liquid-1-2-3-triazole-a-combined-energy-dispersive-x-ray-diffraction-molecular-dynamics-and-ftir-study-1301.4355"/></url>
<url><loc>https://scifaro.com/en/abs/potential-energy-curves-for-the-interaction-of-ag-5s-and-ag-5p-with-noble-gas-atoms-1301.4575</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/potential-energy-curves-for-the-interaction-of-ag-5s-and-ag-5p-with-noble-gas-atoms-1301.4575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/potential-energy-curves-for-the-interaction-of-ag-5s-and-ag-5p-with-noble-gas-atoms-1301.4575"/></url>
<url><loc>https://scifaro.com/en/abs/fine-structure-of-open-shell-diatomic-molecules-in-combined-electric-and-magnetic-fields-1301.4586</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fine-structure-of-open-shell-diatomic-molecules-in-combined-electric-and-magnetic-fields-1301.4586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fine-structure-of-open-shell-diatomic-molecules-in-combined-electric-and-magnetic-fields-1301.4586"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-signature-of-the-instantaneous-asymmetry-in-the-first-coordination-shell-of-liquid-water-1301.4592</loc><lastmod>2014-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-signature-of-the-instantaneous-asymmetry-in-the-first-coordination-shell-of-liquid-water-1301.4592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-signature-of-the-instantaneous-asymmetry-in-the-first-coordination-shell-of-liquid-water-1301.4592"/></url>
<url><loc>https://scifaro.com/en/abs/debye-relaxation-and-250-k-anomaly-in-glass-forming-monohydroxy-alcohols-1301.4852</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/debye-relaxation-and-250-k-anomaly-in-glass-forming-monohydroxy-alcohols-1301.4852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/debye-relaxation-and-250-k-anomaly-in-glass-forming-monohydroxy-alcohols-1301.4852"/></url>
<url><loc>https://scifaro.com/en/abs/monte-carlo-configuration-interaction-applied-to-multipole-moments-ionisation-energies-and-electron-affinities-1301.4904</loc><lastmod>2013-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monte-carlo-configuration-interaction-applied-to-multipole-moments-ionisation-energies-and-electron-affinities-1301.4904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monte-carlo-configuration-interaction-applied-to-multipole-moments-ionisation-energies-and-electron-affinities-1301.4904"/></url>
<url><loc>https://scifaro.com/en/abs/determination-of-photodissociation-and-radiative-association-cross-sections-from-the-same-time-dependent-calculation-1301.5547</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determination-of-photodissociation-and-radiative-association-cross-sections-from-the-same-time-dependent-calculation-1301.5547"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determination-of-photodissociation-and-radiative-association-cross-sections-from-the-same-time-dependent-calculation-1301.5547"/></url>
<url><loc>https://scifaro.com/en/abs/testing-the-broad-applicability-of-the-pbeint-gga-functional-and-its-one-parameter-hybrid-form-1301.5808</loc><lastmod>2013-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/testing-the-broad-applicability-of-the-pbeint-gga-functional-and-its-one-parameter-hybrid-form-1301.5808"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/testing-the-broad-applicability-of-the-pbeint-gga-functional-and-its-one-parameter-hybrid-form-1301.5808"/></url>
<url><loc>https://scifaro.com/en/abs/examining-the-meaning-of-the-peptide-transfer-free-energy-obtained-from-blocked-gly-n-and-cyclic-diglycine-model-compounds-1301.6418</loc><lastmod>2013-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/examining-the-meaning-of-the-peptide-transfer-free-energy-obtained-from-blocked-gly-n-and-cyclic-diglycine-model-compounds-1301.6418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/examining-the-meaning-of-the-peptide-transfer-free-energy-obtained-from-blocked-gly-n-and-cyclic-diglycine-model-compounds-1301.6418"/></url>
<url><loc>https://scifaro.com/en/abs/state-dependent-electron-delocalization-dynamics-at-the-solute-solvent-interface-soft-x-ray-absorption-spectroscopy-and-ab-initio-calculations-1301.6858</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-dependent-electron-delocalization-dynamics-at-the-solute-solvent-interface-soft-x-ray-absorption-spectroscopy-and-ab-initio-calculations-1301.6858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-dependent-electron-delocalization-dynamics-at-the-solute-solvent-interface-soft-x-ray-absorption-spectroscopy-and-ab-initio-calculations-1301.6858"/></url>
<url><loc>https://scifaro.com/en/abs/probing-ultrafast-dynamics-with-time-resolved-multi-dimensional-coincidence-imaging-butadiene-1301.6928</loc><lastmod>2015-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-ultrafast-dynamics-with-time-resolved-multi-dimensional-coincidence-imaging-butadiene-1301.6928"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-ultrafast-dynamics-with-time-resolved-multi-dimensional-coincidence-imaging-butadiene-1301.6928"/></url>
<url><loc>https://scifaro.com/en/abs/distribution-of-r-12-cdot-p-12-in-quantum-systems-1301.7552</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/distribution-of-r-12-cdot-p-12-in-quantum-systems-1301.7552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/distribution-of-r-12-cdot-p-12-in-quantum-systems-1301.7552"/></url>
<url><loc>https://scifaro.com/en/abs/spin-dependent-gradient-correction-for-more-accurate-atomization-energies-of-molecules-1301.7576</loc><lastmod>2013-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-dependent-gradient-correction-for-more-accurate-atomization-energies-of-molecules-1301.7576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-dependent-gradient-correction-for-more-accurate-atomization-energies-of-molecules-1301.7576"/></url>
<url><loc>https://scifaro.com/en/abs/in-situ-x-ray-photoelectron-spectroscopy-of-model-catalysts-at-the-edge-of-the-gap-1302.1388</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-situ-x-ray-photoelectron-spectroscopy-of-model-catalysts-at-the-edge-of-the-gap-1302.1388"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-situ-x-ray-photoelectron-spectroscopy-of-model-catalysts-at-the-edge-of-the-gap-1302.1388"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-dynamics-in-so2-ii-the-role-of-triplet-states-in-the-bound-state-relaxation-studied-by-surface-hopping-simulations-1302.1438</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-dynamics-in-so2-ii-the-role-of-triplet-states-in-the-bound-state-relaxation-studied-by-surface-hopping-simulations-1302.1438"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-dynamics-in-so2-ii-the-role-of-triplet-states-in-the-bound-state-relaxation-studied-by-surface-hopping-simulations-1302.1438"/></url>
<url><loc>https://scifaro.com/en/abs/steps-in-the-exact-time-dependent-potential-energy-surface-1302.1453</loc><lastmod>2013-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steps-in-the-exact-time-dependent-potential-energy-surface-1302.1453"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steps-in-the-exact-time-dependent-potential-energy-surface-1302.1453"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-the-forward-backward-trajectory-solution-for-the-mixed-quantum-classical-liouville-equation-1302.2085</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-the-forward-backward-trajectory-solution-for-the-mixed-quantum-classical-liouville-equation-1302.2085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-the-forward-backward-trajectory-solution-for-the-mixed-quantum-classical-liouville-equation-1302.2085"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-density-functional-theory-of-water-1302.2848</loc><lastmod>2013-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-density-functional-theory-of-water-1302.2848"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-density-functional-theory-of-water-1302.2848"/></url>
<url><loc>https://scifaro.com/en/abs/new-insights-into-the-semiclassical-wigner-treatment-of-photodissociation-dynamics-1302.3718</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-insights-into-the-semiclassical-wigner-treatment-of-photodissociation-dynamics-1302.3718"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-insights-into-the-semiclassical-wigner-treatment-of-photodissociation-dynamics-1302.3718"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-determination-of-effective-hamiltonian-for-the-full-configuration-interaction-solution-of-quasi-degenerate-electronic-states-1302.3924</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-determination-of-effective-hamiltonian-for-the-full-configuration-interaction-solution-of-quasi-degenerate-electronic-states-1302.3924"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-determination-of-effective-hamiltonian-for-the-full-configuration-interaction-solution-of-quasi-degenerate-electronic-states-1302.3924"/></url>
<url><loc>https://scifaro.com/en/abs/spontaneous-mirror-symmetry-breaking-in-the-limited-enantioselective-autocatalysis-model-abyssal-hydrothermal-vents-as-scenario-for-the-emergence-of-chirality-in-prebiotic-chemistry-1302.4230</loc><lastmod>2013-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spontaneous-mirror-symmetry-breaking-in-the-limited-enantioselective-autocatalysis-model-abyssal-hydrothermal-vents-as-scenario-for-the-emergence-of-chirality-in-prebiotic-chemistry-1302.4230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spontaneous-mirror-symmetry-breaking-in-the-limited-enantioselective-autocatalysis-model-abyssal-hydrothermal-vents-as-scenario-for-the-emergence-of-chirality-in-prebiotic-chemistry-1302.4230"/></url>
<url><loc>https://scifaro.com/en/abs/vesicularity-bubble-formation-and-noble-gas-fractionation-during-morb-degassing-1302.4630</loc><lastmod>2019-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vesicularity-bubble-formation-and-noble-gas-fractionation-during-morb-degassing-1302.4630"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vesicularity-bubble-formation-and-noble-gas-fractionation-during-morb-degassing-1302.4630"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-considerations-affecting-the-calculated-homo-lumo-gap-in-protein-molecules-1302.4696</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-considerations-affecting-the-calculated-homo-lumo-gap-in-protein-molecules-1302.4696"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-considerations-affecting-the-calculated-homo-lumo-gap-in-protein-molecules-1302.4696"/></url>
<url><loc>https://scifaro.com/en/abs/proton-electrodynamics-in-liquid-water-1302.5048</loc><lastmod>2014-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proton-electrodynamics-in-liquid-water-1302.5048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proton-electrodynamics-in-liquid-water-1302.5048"/></url>
<url><loc>https://scifaro.com/en/abs/accuracy-of-basis-set-extrapolation-schemes-for-dft-rpa-correlation-energies-in-molecular-calculations-1302.5213</loc><lastmod>2013-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accuracy-of-basis-set-extrapolation-schemes-for-dft-rpa-correlation-energies-in-molecular-calculations-1302.5213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accuracy-of-basis-set-extrapolation-schemes-for-dft-rpa-correlation-energies-in-molecular-calculations-1302.5213"/></url>
<url><loc>https://scifaro.com/en/abs/mechanisms-of-ignition-by-transient-energy-deposition-regimes-of-combustion-waves-propagation-1302.5271</loc><lastmod>2015-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanisms-of-ignition-by-transient-energy-deposition-regimes-of-combustion-waves-propagation-1302.5271"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanisms-of-ignition-by-transient-energy-deposition-regimes-of-combustion-waves-propagation-1302.5271"/></url>
<url><loc>https://scifaro.com/en/abs/lasercooled-radium-monofluoride-a-molecular-all-in-one-probe-for-new-physics-1302.5682</loc><lastmod>2020-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lasercooled-radium-monofluoride-a-molecular-all-in-one-probe-for-new-physics-1302.5682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lasercooled-radium-monofluoride-a-molecular-all-in-one-probe-for-new-physics-1302.5682"/></url>
<url><loc>https://scifaro.com/en/abs/nature-of-the-anomalies-in-the-supercooled-liquid-state-of-the-mw-model-of-water-1302.5691</loc><lastmod>2013-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nature-of-the-anomalies-in-the-supercooled-liquid-state-of-the-mw-model-of-water-1302.5691"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nature-of-the-anomalies-in-the-supercooled-liquid-state-of-the-mw-model-of-water-1302.5691"/></url>
<url><loc>https://scifaro.com/en/abs/optimal-damping-algorithm-for-unrestricted-hartree-fock-calculations-1302.6099</loc><lastmod>2018-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-damping-algorithm-for-unrestricted-hartree-fock-calculations-1302.6099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-damping-algorithm-for-unrestricted-hartree-fock-calculations-1302.6099"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-correlated-electron-nuclear-dynamics-exact-factorization-of-the-molecular-wavefunction-j-chem-phys-137-22a530-2012-1302.6146</loc><lastmod>2013-09-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-correlated-electron-nuclear-dynamics-exact-factorization-of-the-molecular-wavefunction-j-chem-phys-137-22a530-2012-1302.6146"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-correlated-electron-nuclear-dynamics-exact-factorization-of-the-molecular-wavefunction-j-chem-phys-137-22a530-2012-1302.6146"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-double-hybrid-density-functionals-along-the-adiabatic-connection-1302.6473</loc><lastmod>2013-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-double-hybrid-density-functionals-along-the-adiabatic-connection-1302.6473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-double-hybrid-density-functionals-along-the-adiabatic-connection-1302.6473"/></url>
<url><loc>https://scifaro.com/en/abs/identification-of-slow-molecular-order-parameters-for-markov-model-construction-1302.6614</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-of-slow-molecular-order-parameters-for-markov-model-construction-1302.6614"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-of-slow-molecular-order-parameters-for-markov-model-construction-1302.6614"/></url>
<url><loc>https://scifaro.com/en/abs/imaging-hydrogen-bond-in-real-space-1302.6692</loc><lastmod>2013-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-hydrogen-bond-in-real-space-1302.6692"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-hydrogen-bond-in-real-space-1302.6692"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-exciton-generation-in-nano-crystals-revisited-consistent-calculation-of-the-yield-based-on-pump-probe-spectroscopy-1302.6711</loc><lastmod>2013-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-exciton-generation-in-nano-crystals-revisited-consistent-calculation-of-the-yield-based-on-pump-probe-spectroscopy-1302.6711"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-exciton-generation-in-nano-crystals-revisited-consistent-calculation-of-the-yield-based-on-pump-probe-spectroscopy-1302.6711"/></url>
<url><loc>https://scifaro.com/en/abs/calculating-excited-states-of-molecular-aggregates-by-the-renormalized-excitonic-method-1303.0617</loc><lastmod>2013-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculating-excited-states-of-molecular-aggregates-by-the-renormalized-excitonic-method-1303.0617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculating-excited-states-of-molecular-aggregates-by-the-renormalized-excitonic-method-1303.0617"/></url>
<url><loc>https://scifaro.com/en/abs/new-theoretical-method-for-calculating-the-radiative-association-cross-section-of-a-triatomic-molecule-application-to-n2-h-1303.1114</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-theoretical-method-for-calculating-the-radiative-association-cross-section-of-a-triatomic-molecule-application-to-n2-h-1303.1114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-theoretical-method-for-calculating-the-radiative-association-cross-section-of-a-triatomic-molecule-application-to-n2-h-1303.1114"/></url>
<url><loc>https://scifaro.com/en/abs/the-molecule-calculator-a-web-server-for-fast-quantum-mechanics-based-estimation-of-molecular-properties-1303.1679</loc><lastmod>2013-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-molecule-calculator-a-web-server-for-fast-quantum-mechanics-based-estimation-of-molecular-properties-1303.1679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-molecule-calculator-a-web-server-for-fast-quantum-mechanics-based-estimation-of-molecular-properties-1303.1679"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-energy-transfer-efficiency-equivalence-of-transient-and-stationary-setting-and-the-absence-of-non-markovian-effects-1303.2046</loc><lastmod>2013-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-energy-transfer-efficiency-equivalence-of-transient-and-stationary-setting-and-the-absence-of-non-markovian-effects-1303.2046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-energy-transfer-efficiency-equivalence-of-transient-and-stationary-setting-and-the-absence-of-non-markovian-effects-1303.2046"/></url>
<url><loc>https://scifaro.com/en/abs/recent-achievements-in-ab-initio-modelling-of-liquid-water-1303.2067</loc><lastmod>2014-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recent-achievements-in-ab-initio-modelling-of-liquid-water-1303.2067"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recent-achievements-in-ab-initio-modelling-of-liquid-water-1303.2067"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-precipitation-synthesis-of-ferric-chloride-doped-zinc-sulphide-nanoparticles-and-their-characterization-studies-1303.2531</loc><lastmod>2013-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-precipitation-synthesis-of-ferric-chloride-doped-zinc-sulphide-nanoparticles-and-their-characterization-studies-1303.2531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-precipitation-synthesis-of-ferric-chloride-doped-zinc-sulphide-nanoparticles-and-their-characterization-studies-1303.2531"/></url>
<url><loc>https://scifaro.com/en/abs/infrared-spectroscopy-of-small-molecule-endofullerenes-1303.2532</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infrared-spectroscopy-of-small-molecule-endofullerenes-1303.2532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infrared-spectroscopy-of-small-molecule-endofullerenes-1303.2532"/></url>
<url><loc>https://scifaro.com/en/abs/automatic-optimized-interface-placement-in-forward-flux-sampling-simulations-1303.3073</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automatic-optimized-interface-placement-in-forward-flux-sampling-simulations-1303.3073"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automatic-optimized-interface-placement-in-forward-flux-sampling-simulations-1303.3073"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-behavior-of-supercritical-matter-1303.3153</loc><lastmod>2013-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-behavior-of-supercritical-matter-1303.3153"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-behavior-of-supercritical-matter-1303.3153"/></url>
<url><loc>https://scifaro.com/en/abs/case-study-of-rb-aq-quasi-chemical-theory-of-ion-hydration-and-the-no-split-occupancies-rule-1303.3210</loc><lastmod>2013-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/case-study-of-rb-aq-quasi-chemical-theory-of-ion-hydration-and-the-no-split-occupancies-rule-1303.3210"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/case-study-of-rb-aq-quasi-chemical-theory-of-ion-hydration-and-the-no-split-occupancies-rule-1303.3210"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-nuclear-vibrations-on-the-energetics-of-polythiophene-quantized-energy-molecular-dynamics-1303.3278</loc><lastmod>2016-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-nuclear-vibrations-on-the-energetics-of-polythiophene-quantized-energy-molecular-dynamics-1303.3278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-nuclear-vibrations-on-the-energetics-of-polythiophene-quantized-energy-molecular-dynamics-1303.3278"/></url>
<url><loc>https://scifaro.com/en/abs/a-ni-fe-layered-double-hydroxide-carbon-nanotube-complex-for-water-oxidation-1303.3308</loc><lastmod>2013-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-ni-fe-layered-double-hydroxide-carbon-nanotube-complex-for-water-oxidation-1303.3308"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-ni-fe-layered-double-hydroxide-carbon-nanotube-complex-for-water-oxidation-1303.3308"/></url>
<url><loc>https://scifaro.com/en/abs/interplay-between-non-adiabatic-dynamics-and-frenkel-exciton-transfer-in-molecular-aggregates-formulation-and-application-to-a-perylene-bismide-model-1303.3464</loc><lastmod>2013-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interplay-between-non-adiabatic-dynamics-and-frenkel-exciton-transfer-in-molecular-aggregates-formulation-and-application-to-a-perylene-bismide-model-1303.3464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interplay-between-non-adiabatic-dynamics-and-frenkel-exciton-transfer-in-molecular-aggregates-formulation-and-application-to-a-perylene-bismide-model-1303.3464"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-implementation-of-two-component-relativistic-exact-decoupling-methods-for-large-molecules-1303.4446</loc><lastmod>2013-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-implementation-of-two-component-relativistic-exact-decoupling-methods-for-large-molecules-1303.4446"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-implementation-of-two-component-relativistic-exact-decoupling-methods-for-large-molecules-1303.4446"/></url>
<url><loc>https://scifaro.com/en/abs/interface-of-the-polarizable-continuum-model-of-solvation-with-semi-empirical-methods-in-the-gamess-program-1303.4556</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interface-of-the-polarizable-continuum-model-of-solvation-with-semi-empirical-methods-in-the-gamess-program-1303.4556"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interface-of-the-polarizable-continuum-model-of-solvation-with-semi-empirical-methods-in-the-gamess-program-1303.4556"/></url>
<url><loc>https://scifaro.com/en/abs/multidimensional-x-ray-spectroscopy-of-valence-and-core-excitations-in-cysteine-1303.4706</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multidimensional-x-ray-spectroscopy-of-valence-and-core-excitations-in-cysteine-1303.4706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multidimensional-x-ray-spectroscopy-of-valence-and-core-excitations-in-cysteine-1303.4706"/></url>
<url><loc>https://scifaro.com/en/abs/extended-lagrangian-born-oppenheimer-molecular-dynamics-in-the-limit-of-vanishing-self-consistent-field-optimization-1303.4894</loc><lastmod>2013-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extended-lagrangian-born-oppenheimer-molecular-dynamics-in-the-limit-of-vanishing-self-consistent-field-optimization-1303.4894"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extended-lagrangian-born-oppenheimer-molecular-dynamics-in-the-limit-of-vanishing-self-consistent-field-optimization-1303.4894"/></url>
<url><loc>https://scifaro.com/en/abs/ultrasonic-attenuation-and-speed-of-sound-of-cornstarch-suspensions-1303.5116</loc><lastmod>2013-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrasonic-attenuation-and-speed-of-sound-of-cornstarch-suspensions-1303.5116"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrasonic-attenuation-and-speed-of-sound-of-cornstarch-suspensions-1303.5116"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-action-formalism-of-time-dependent-density-functional-theory-1303.5679</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-action-formalism-of-time-dependent-density-functional-theory-1303.5679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-action-formalism-of-time-dependent-density-functional-theory-1303.5679"/></url>
<url><loc>https://scifaro.com/en/abs/geometrical-terms-in-the-effective-hamiltonian-for-rotor-molecules-1303.6111</loc><lastmod>2013-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometrical-terms-in-the-effective-hamiltonian-for-rotor-molecules-1303.6111"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometrical-terms-in-the-effective-hamiltonian-for-rotor-molecules-1303.6111"/></url>
<url><loc>https://scifaro.com/en/abs/higher-order-kinetic-expansion-of-quantum-dissipative-dynamics-mapping-quantum-networks-to-kinetic-networks-1303.6123</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/higher-order-kinetic-expansion-of-quantum-dissipative-dynamics-mapping-quantum-networks-to-kinetic-networks-1303.6123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/higher-order-kinetic-expansion-of-quantum-dissipative-dynamics-mapping-quantum-networks-to-kinetic-networks-1303.6123"/></url>
<url><loc>https://scifaro.com/en/abs/nonlocal-van-der-waals-functionals-the-case-of-rare-gas-dimers-and-solids-1303.6185</loc><lastmod>2013-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlocal-van-der-waals-functionals-the-case-of-rare-gas-dimers-and-solids-1303.6185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlocal-van-der-waals-functionals-the-case-of-rare-gas-dimers-and-solids-1303.6185"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-approach-to-microscopic-modeling-of-a-hole-transfer-in-heteropolymer-dna-1303.6278</loc><lastmod>2013-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-approach-to-microscopic-modeling-of-a-hole-transfer-in-heteropolymer-dna-1303.6278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-approach-to-microscopic-modeling-of-a-hole-transfer-in-heteropolymer-dna-1303.6278"/></url>
<url><loc>https://scifaro.com/en/abs/fragment-based-time-dependent-density-functional-theory-1303.6362</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fragment-based-time-dependent-density-functional-theory-1303.6362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fragment-based-time-dependent-density-functional-theory-1303.6362"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-site-specific-low-energy-electron-production-via-interatomic-coulombic-decay-following-resonant-auger-decay-1303.6395</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-site-specific-low-energy-electron-production-via-interatomic-coulombic-decay-following-resonant-auger-decay-1303.6395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-site-specific-low-energy-electron-production-via-interatomic-coulombic-decay-following-resonant-auger-decay-1303.6395"/></url>
<url><loc>https://scifaro.com/en/abs/optical-activity-and-mirror-symmetry-1303.6613</loc><lastmod>2013-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-activity-and-mirror-symmetry-1303.6613"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-activity-and-mirror-symmetry-1303.6613"/></url>
<url><loc>https://scifaro.com/en/abs/multi-determinant-wave-functions-in-quantum-monte-carlo-1303.6676</loc><lastmod>2013-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-determinant-wave-functions-in-quantum-monte-carlo-1303.6676"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-determinant-wave-functions-in-quantum-monte-carlo-1303.6676"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-entanglement-in-bond-formation-processes-1303.7207</loc><lastmod>2013-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-entanglement-in-bond-formation-processes-1303.7207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-entanglement-in-bond-formation-processes-1303.7207"/></url>
<url><loc>https://scifaro.com/en/abs/n-density-representability-and-the-optimal-transport-limit-of-the-hohenberg-kohn-functional-1304.0679</loc><lastmod>2013-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/n-density-representability-and-the-optimal-transport-limit-of-the-hohenberg-kohn-functional-1304.0679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/n-density-representability-and-the-optimal-transport-limit-of-the-hohenberg-kohn-functional-1304.0679"/></url>
<url><loc>https://scifaro.com/en/abs/vanishing-linear-term-in-chemical-potential-difference-in-volume-term-of-work-of-critical-nucleus-formation-for-phase-transition-without-volume-change-1304.0691</loc><lastmod>2013-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vanishing-linear-term-in-chemical-potential-difference-in-volume-term-of-work-of-critical-nucleus-formation-for-phase-transition-without-volume-change-1304.0691"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vanishing-linear-term-in-chemical-potential-difference-in-volume-term-of-work-of-critical-nucleus-formation-for-phase-transition-without-volume-change-1304.0691"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-excitation-energies-of-molecular-systems-from-the-bethe-salpeter-equation-example-of-the-h2-molecule-1304.1314</loc><lastmod>2013-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-excitation-energies-of-molecular-systems-from-the-bethe-salpeter-equation-example-of-the-h2-molecule-1304.1314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-excitation-energies-of-molecular-systems-from-the-bethe-salpeter-equation-example-of-the-h2-molecule-1304.1314"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-excitations-from-a-linear-response-range-separated-hybrid-scheme-1304.1322</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-excitations-from-a-linear-response-range-separated-hybrid-scheme-1304.1322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-excitations-from-a-linear-response-range-separated-hybrid-scheme-1304.1322"/></url>
<url><loc>https://scifaro.com/en/abs/improvements-to-kramers-turnover-theory-1304.1933</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improvements-to-kramers-turnover-theory-1304.1933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improvements-to-kramers-turnover-theory-1304.1933"/></url>
<url><loc>https://scifaro.com/en/abs/photodissociation-of-carbon-dioxide-in-singlet-valence-electronic-states-i-six-multiply-intersecting-ab-initio-potential-energy-surfaces-1304.2464</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photodissociation-of-carbon-dioxide-in-singlet-valence-electronic-states-i-six-multiply-intersecting-ab-initio-potential-energy-surfaces-1304.2464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photodissociation-of-carbon-dioxide-in-singlet-valence-electronic-states-i-six-multiply-intersecting-ab-initio-potential-energy-surfaces-1304.2464"/></url>
<url><loc>https://scifaro.com/en/abs/photodissociation-of-carbon-dioxide-in-singlet-valence-electronic-states-ii-five-state-absorption-spectrum-and-vibronic-assignment-1304.2469</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photodissociation-of-carbon-dioxide-in-singlet-valence-electronic-states-ii-five-state-absorption-spectrum-and-vibronic-assignment-1304.2469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photodissociation-of-carbon-dioxide-in-singlet-valence-electronic-states-ii-five-state-absorption-spectrum-and-vibronic-assignment-1304.2469"/></url>
<url><loc>https://scifaro.com/en/abs/physics-of-electrolytic-gas-evolution-1304.2701</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physics-of-electrolytic-gas-evolution-1304.2701"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physics-of-electrolytic-gas-evolution-1304.2701"/></url>
<url><loc>https://scifaro.com/en/abs/evidence-of-two-distinct-local-structures-of-water-from-ambient-to-supercooled-conditions-1304.2877</loc><lastmod>2013-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evidence-of-two-distinct-local-structures-of-water-from-ambient-to-supercooled-conditions-1304.2877"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evidence-of-two-distinct-local-structures-of-water-from-ambient-to-supercooled-conditions-1304.2877"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-monte-carlo-configuration-interaction-natural-orbitals-and-second-order-perturbation-theory-1304.3304</loc><lastmod>2013-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-monte-carlo-configuration-interaction-natural-orbitals-and-second-order-perturbation-theory-1304.3304"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-monte-carlo-configuration-interaction-natural-orbitals-and-second-order-perturbation-theory-1304.3304"/></url>
<url><loc>https://scifaro.com/en/abs/first-principle-interaction-potentials-for-metastable-he-3-s-and-ne-3-p-with-closed-shell-molecules-application-to-penning-ionizing-systems-1304.3686</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principle-interaction-potentials-for-metastable-he-3-s-and-ne-3-p-with-closed-shell-molecules-application-to-penning-ionizing-systems-1304.3686"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principle-interaction-potentials-for-metastable-he-3-s-and-ne-3-p-with-closed-shell-molecules-application-to-penning-ionizing-systems-1304.3686"/></url>
<url><loc>https://scifaro.com/en/abs/nonequilibrium-entropy-1304.3768</loc><lastmod>2013-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonequilibrium-entropy-1304.3768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonequilibrium-entropy-1304.3768"/></url>
<url><loc>https://scifaro.com/en/abs/electron-vibration-energy-exchange-models-in-nitrogen-containing-plasma-flows-1304.4221</loc><lastmod>2013-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-vibration-energy-exchange-models-in-nitrogen-containing-plasma-flows-1304.4221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-vibration-energy-exchange-models-in-nitrogen-containing-plasma-flows-1304.4221"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-ionization-potential-of-gold-anionic-clusters-from-density-functional-theory-and-many-body-perturbation-theory-1304.4355</loc><lastmod>2013-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-ionization-potential-of-gold-anionic-clusters-from-density-functional-theory-and-many-body-perturbation-theory-1304.4355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-ionization-potential-of-gold-anionic-clusters-from-density-functional-theory-and-many-body-perturbation-theory-1304.4355"/></url>
<url><loc>https://scifaro.com/en/abs/semilocal-and-hybrid-density-embedding-calculations-of-ground-state-charge-transfer-complexes-1304.4417</loc><lastmod>2013-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semilocal-and-hybrid-density-embedding-calculations-of-ground-state-charge-transfer-complexes-1304.4417"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semilocal-and-hybrid-density-embedding-calculations-of-ground-state-charge-transfer-complexes-1304.4417"/></url>
<url><loc>https://scifaro.com/en/abs/charge-relaxation-dynamics-of-an-electrolytic-nanocapacitor-1304.4845</loc><lastmod>2014-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-relaxation-dynamics-of-an-electrolytic-nanocapacitor-1304.4845"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-relaxation-dynamics-of-an-electrolytic-nanocapacitor-1304.4845"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-characterization-of-excitation-energy-transfer-in-chlorosome-light-harvesting-antennae-from-green-sulfur-bacteria-1304.4902</loc><lastmod>2014-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-characterization-of-excitation-energy-transfer-in-chlorosome-light-harvesting-antennae-from-green-sulfur-bacteria-1304.4902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-characterization-of-excitation-energy-transfer-in-chlorosome-light-harvesting-antennae-from-green-sulfur-bacteria-1304.4902"/></url>
<url><loc>https://scifaro.com/en/abs/tomographic-reconstruction-of-molecular-orbitals-with-twofold-mirror-antisymmetry-overcoming-the-nodal-plane-problem-1304.5128</loc><lastmod>2013-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tomographic-reconstruction-of-molecular-orbitals-with-twofold-mirror-antisymmetry-overcoming-the-nodal-plane-problem-1304.5128"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tomographic-reconstruction-of-molecular-orbitals-with-twofold-mirror-antisymmetry-overcoming-the-nodal-plane-problem-1304.5128"/></url>
<url><loc>https://scifaro.com/en/abs/some-rigorous-results-relating-nonequilibrium-equilibrium-calorimetrically-measured-and-residual-entropies-during-cooling-1304.5764</loc><lastmod>2013-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/some-rigorous-results-relating-nonequilibrium-equilibrium-calorimetrically-measured-and-residual-entropies-during-cooling-1304.5764"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/some-rigorous-results-relating-nonequilibrium-equilibrium-calorimetrically-measured-and-residual-entropies-during-cooling-1304.5764"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-dynamics-of-ion-concentration-polarization-in-porous-media-the-leaky-membrane-model-1304.6598</loc><lastmod>2013-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-dynamics-of-ion-concentration-polarization-in-porous-media-the-leaky-membrane-model-1304.6598"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-dynamics-of-ion-concentration-polarization-in-porous-media-the-leaky-membrane-model-1304.6598"/></url>
<url><loc>https://scifaro.com/en/abs/tracing-molecular-dynamics-at-the-femto-atto-second-boundary-through-extreme-ultraviolet-pump-probe-spectroscopy-1304.6914</loc><lastmod>2013-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tracing-molecular-dynamics-at-the-femto-atto-second-boundary-through-extreme-ultraviolet-pump-probe-spectroscopy-1304.6914"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tracing-molecular-dynamics-at-the-femto-atto-second-boundary-through-extreme-ultraviolet-pump-probe-spectroscopy-1304.6914"/></url>
<url><loc>https://scifaro.com/en/abs/alignment-dependent-enhancement-of-the-photo-electron-cutoff-for-multi-photon-ionization-of-molecules-1304.6942</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alignment-dependent-enhancement-of-the-photo-electron-cutoff-for-multi-photon-ionization-of-molecules-1304.6942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alignment-dependent-enhancement-of-the-photo-electron-cutoff-for-multi-photon-ionization-of-molecules-1304.6942"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-raman-spectra-of-l-histidine-crystal-1304.7692</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-raman-spectra-of-l-histidine-crystal-1304.7692"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-raman-spectra-of-l-histidine-crystal-1304.7692"/></url>
<url><loc>https://scifaro.com/en/abs/structural-analysis-of-combustion-mechanisms-1304.7964</loc><lastmod>2013-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-analysis-of-combustion-mechanisms-1304.7964"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-analysis-of-combustion-mechanisms-1304.7964"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-range-separated-time-dependent-density-functional-theory-for-calculating-c6-dispersion-coefficients-1305.0107</loc><lastmod>2013-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-range-separated-time-dependent-density-functional-theory-for-calculating-c6-dispersion-coefficients-1305.0107"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-range-separated-time-dependent-density-functional-theory-for-calculating-c6-dispersion-coefficients-1305.0107"/></url>
<url><loc>https://scifaro.com/en/abs/dimerization-of-water-molecules-modeling-of-the-attractive-part-of-the-interparticle-potential-in-the-multipole-approximation-1305.0223</loc><lastmod>2013-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dimerization-of-water-molecules-modeling-of-the-attractive-part-of-the-interparticle-potential-in-the-multipole-approximation-1305.0223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dimerization-of-water-molecules-modeling-of-the-attractive-part-of-the-interparticle-potential-in-the-multipole-approximation-1305.0223"/></url>
<url><loc>https://scifaro.com/en/abs/volume-term-of-work-of-critical-nucleus-formation-in-terms-of-chemical-potential-difference-relative-to-equilibrium-one-1305.0332</loc><lastmod>2013-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/volume-term-of-work-of-critical-nucleus-formation-in-terms-of-chemical-potential-difference-relative-to-equilibrium-one-1305.0332"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/volume-term-of-work-of-critical-nucleus-formation-in-terms-of-chemical-potential-difference-relative-to-equilibrium-one-1305.0332"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-rhf-mp2-geometry-optimizations-with-the-effective-fragment-molecular-orbital-method-1305.0676</loc><lastmod>2014-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-rhf-mp2-geometry-optimizations-with-the-effective-fragment-molecular-orbital-method-1305.0676"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-rhf-mp2-geometry-optimizations-with-the-effective-fragment-molecular-orbital-method-1305.0676"/></url>
<url><loc>https://scifaro.com/en/abs/validity-of-commonly-used-formula-of-nucleation-work-for-bubble-nucleation-1305.0849</loc><lastmod>2013-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/validity-of-commonly-used-formula-of-nucleation-work-for-bubble-nucleation-1305.0849"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/validity-of-commonly-used-formula-of-nucleation-work-for-bubble-nucleation-1305.0849"/></url>
<url><loc>https://scifaro.com/en/abs/coarse-graining-the-calcium-dynamics-on-a-stochastic-reaction-diffusion-lattice-model-1305.0873</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coarse-graining-the-calcium-dynamics-on-a-stochastic-reaction-diffusion-lattice-model-1305.0873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coarse-graining-the-calcium-dynamics-on-a-stochastic-reaction-diffusion-lattice-model-1305.0873"/></url>
<url><loc>https://scifaro.com/en/abs/enzyme-kinetics-a-critique-of-the-quasi-steady-state-approximation-1305.0929</loc><lastmod>2019-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enzyme-kinetics-a-critique-of-the-quasi-steady-state-approximation-1305.0929"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enzyme-kinetics-a-critique-of-the-quasi-steady-state-approximation-1305.0929"/></url>
<url><loc>https://scifaro.com/en/abs/protein-structure-validation-and-refinement-using-amide-proton-chemical-shifts-derived-from-quantum-mechanics-1305.2164</loc><lastmod>2014-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/protein-structure-validation-and-refinement-using-amide-proton-chemical-shifts-derived-from-quantum-mechanics-1305.2164"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/protein-structure-validation-and-refinement-using-amide-proton-chemical-shifts-derived-from-quantum-mechanics-1305.2164"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-formulation-of-the-kohn-sham-equations-for-ab-initio-electronic-structure-calculations-1305.2286</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-formulation-of-the-kohn-sham-equations-for-ab-initio-electronic-structure-calculations-1305.2286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-formulation-of-the-kohn-sham-equations-for-ab-initio-electronic-structure-calculations-1305.2286"/></url>
<url><loc>https://scifaro.com/en/abs/heat-and-moisture-transport-in-unsaturated-porous-media-a-coupled-model-in-terms-of-chemical-potential-1305.2373</loc><lastmod>2013-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heat-and-moisture-transport-in-unsaturated-porous-media-a-coupled-model-in-terms-of-chemical-potential-1305.2373"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heat-and-moisture-transport-in-unsaturated-porous-media-a-coupled-model-in-terms-of-chemical-potential-1305.2373"/></url>
<url><loc>https://scifaro.com/en/abs/distinctive-character-of-electronic-and-vibrational-coherences-in-disordered-molecular-aggregates-1305.2525</loc><lastmod>2013-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/distinctive-character-of-electronic-and-vibrational-coherences-in-disordered-molecular-aggregates-1305.2525"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/distinctive-character-of-electronic-and-vibrational-coherences-in-disordered-molecular-aggregates-1305.2525"/></url>
<url><loc>https://scifaro.com/en/abs/inverse-photoelectrochemical-cell-1305.2555</loc><lastmod>2013-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inverse-photoelectrochemical-cell-1305.2555"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inverse-photoelectrochemical-cell-1305.2555"/></url>
<url><loc>https://scifaro.com/en/abs/an-interatomic-potential-for-saturated-hydrocarbons-based-on-the-modified-embedded-atom-method-1305.2759</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-interatomic-potential-for-saturated-hydrocarbons-based-on-the-modified-embedded-atom-method-1305.2759"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-interatomic-potential-for-saturated-hydrocarbons-based-on-the-modified-embedded-atom-method-1305.2759"/></url>
<url><loc>https://scifaro.com/en/abs/the-quest-for-self-consistency-in-hydrogen-bond-definitions-1305.3060</loc><lastmod>2013-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-quest-for-self-consistency-in-hydrogen-bond-definitions-1305.3060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-quest-for-self-consistency-in-hydrogen-bond-definitions-1305.3060"/></url>
<url><loc>https://scifaro.com/en/abs/meta-gga-exchange-correlation-functional-with-a-balanced-treatment-of-nonlocality-1305.3719</loc><lastmod>2013-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/meta-gga-exchange-correlation-functional-with-a-balanced-treatment-of-nonlocality-1305.3719"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/meta-gga-exchange-correlation-functional-with-a-balanced-treatment-of-nonlocality-1305.3719"/></url>
<url><loc>https://scifaro.com/en/abs/reactivity-boundaries-to-separate-the-fate-of-a-chemical-reaction-associated-with-an-index-two-saddle-1305.3866</loc><lastmod>2013-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactivity-boundaries-to-separate-the-fate-of-a-chemical-reaction-associated-with-an-index-two-saddle-1305.3866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactivity-boundaries-to-separate-the-fate-of-a-chemical-reaction-associated-with-an-index-two-saddle-1305.3866"/></url>
<url><loc>https://scifaro.com/en/abs/parity-violation-in-nuclear-magnetic-resonance-frequencies-of-chiral-tetrahedral-tungsten-complexes-nwxyz-x-y-z-h-f-cl-br-or-i-1305.3963</loc><lastmod>2014-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parity-violation-in-nuclear-magnetic-resonance-frequencies-of-chiral-tetrahedral-tungsten-complexes-nwxyz-x-y-z-h-f-cl-br-or-i-1305.3963"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parity-violation-in-nuclear-magnetic-resonance-frequencies-of-chiral-tetrahedral-tungsten-complexes-nwxyz-x-y-z-h-f-cl-br-or-i-1305.3963"/></url>
<url><loc>https://scifaro.com/en/abs/scaling-relation-for-the-bond-length-mass-density-and-packing-order-of-water-ice-1305.4246</loc><lastmod>2013-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scaling-relation-for-the-bond-length-mass-density-and-packing-order-of-water-ice-1305.4246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scaling-relation-for-the-bond-length-mass-density-and-packing-order-of-water-ice-1305.4246"/></url>
<url><loc>https://scifaro.com/en/abs/adsorption-of-cytosine-and-aza-derivatives-of-cytidine-on-au-single-crystal-surfaces-1305.4432</loc><lastmod>2013-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adsorption-of-cytosine-and-aza-derivatives-of-cytidine-on-au-single-crystal-surfaces-1305.4432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adsorption-of-cytosine-and-aza-derivatives-of-cytidine-on-au-single-crystal-surfaces-1305.4432"/></url>
<url><loc>https://scifaro.com/en/abs/grid-free-powder-averages-on-the-applications-of-the-fokker-planck-equation-to-solid-state-nmr-1305.4459</loc><lastmod>2014-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/grid-free-powder-averages-on-the-applications-of-the-fokker-planck-equation-to-solid-state-nmr-1305.4459"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/grid-free-powder-averages-on-the-applications-of-the-fokker-planck-equation-to-solid-state-nmr-1305.4459"/></url>
<url><loc>https://scifaro.com/en/abs/eigenvalues-of-normalized-laplacian-matrices-of-fractal-trees-and-dendrimers-analytical-results-and-applications-1305.4734</loc><lastmod>2013-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eigenvalues-of-normalized-laplacian-matrices-of-fractal-trees-and-dendrimers-analytical-results-and-applications-1305.4734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eigenvalues-of-normalized-laplacian-matrices-of-fractal-trees-and-dendrimers-analytical-results-and-applications-1305.4734"/></url>
<url><loc>https://scifaro.com/en/abs/double-potential-step-chronoamperometry-at-a-microband-electrode-theory-and-experiment-1305.4773</loc><lastmod>2013-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-potential-step-chronoamperometry-at-a-microband-electrode-theory-and-experiment-1305.4773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-potential-step-chronoamperometry-at-a-microband-electrode-theory-and-experiment-1305.4773"/></url>
<url><loc>https://scifaro.com/en/abs/the-tensor-hypercontracted-parametric-reduced-density-matrix-algorithm-coupled-cluster-accuracy-with-o-r-4-scaling-1305.4802</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-tensor-hypercontracted-parametric-reduced-density-matrix-algorithm-coupled-cluster-accuracy-with-o-r-4-scaling-1305.4802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-tensor-hypercontracted-parametric-reduced-density-matrix-algorithm-coupled-cluster-accuracy-with-o-r-4-scaling-1305.4802"/></url>
<url><loc>https://scifaro.com/en/abs/fragment-based-treatment-of-delocalization-and-static-correlation-errors-in-density-functional-theory-1305.4966</loc><lastmod>2015-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fragment-based-treatment-of-delocalization-and-static-correlation-errors-in-density-functional-theory-1305.4966"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fragment-based-treatment-of-delocalization-and-static-correlation-errors-in-density-functional-theory-1305.4966"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-electron-attachment-to-carbon-dioxide-via-the-2-pi-u-shape-resonance-1305.5002</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-carbon-dioxide-via-the-2-pi-u-shape-resonance-1305.5002"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-carbon-dioxide-via-the-2-pi-u-shape-resonance-1305.5002"/></url>
<url><loc>https://scifaro.com/en/abs/sensitive-chiral-analysis-via-microwave-three-wave-mixing-1305.5223</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sensitive-chiral-analysis-via-microwave-three-wave-mixing-1305.5223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sensitive-chiral-analysis-via-microwave-three-wave-mixing-1305.5223"/></url>
<url><loc>https://scifaro.com/en/abs/cpmd-simulation-of-cu2-phenylalanine-complex-under-micro-solvated-environment-1305.5288</loc><lastmod>2013-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cpmd-simulation-of-cu2-phenylalanine-complex-under-micro-solvated-environment-1305.5288"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cpmd-simulation-of-cu2-phenylalanine-complex-under-micro-solvated-environment-1305.5288"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-aliphatic-amino-acids-using-simulated-vibrational-circular-dichroism-and-raman-optical-activity-spectra-1305.5290</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-aliphatic-amino-acids-using-simulated-vibrational-circular-dichroism-and-raman-optical-activity-spectra-1305.5290"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-aliphatic-amino-acids-using-simulated-vibrational-circular-dichroism-and-raman-optical-activity-spectra-1305.5290"/></url>
<url><loc>https://scifaro.com/en/abs/a-four-dimensional-potential-energy-surface-for-the-he-hcn-complex-1305.5465</loc><lastmod>2013-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-four-dimensional-potential-energy-surface-for-the-he-hcn-complex-1305.5465"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-four-dimensional-potential-energy-surface-for-the-he-hcn-complex-1305.5465"/></url>
<url><loc>https://scifaro.com/en/abs/ligand-discrimination-in-myoglobin-from-linear-scaling-dft-u-1305.5532</loc><lastmod>2013-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ligand-discrimination-in-myoglobin-from-linear-scaling-dft-u-1305.5532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ligand-discrimination-in-myoglobin-from-linear-scaling-dft-u-1305.5532"/></url>
<url><loc>https://scifaro.com/en/abs/ro-vibrational-relaxation-of-hcn-in-collisions-with-he-rigid-bender-treatment-of-the-bending-rotation-interaction-1305.5804</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ro-vibrational-relaxation-of-hcn-in-collisions-with-he-rigid-bender-treatment-of-the-bending-rotation-interaction-1305.5804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ro-vibrational-relaxation-of-hcn-in-collisions-with-he-rigid-bender-treatment-of-the-bending-rotation-interaction-1305.5804"/></url>
<url><loc>https://scifaro.com/en/abs/a-computational-method-for-the-systematic-screening-of-reaction-barriers-in-enzymes-searching-for-bacillus-circulans-xylanase-mutants-with-greater-activity-towards-a-synthetic-substrate-1305.6049</loc><lastmod>2013-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-computational-method-for-the-systematic-screening-of-reaction-barriers-in-enzymes-searching-for-bacillus-circulans-xylanase-mutants-with-greater-activity-towards-a-synthetic-substrate-1305.6049"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-computational-method-for-the-systematic-screening-of-reaction-barriers-in-enzymes-searching-for-bacillus-circulans-xylanase-mutants-with-greater-activity-towards-a-synthetic-substrate-1305.6049"/></url>
<url><loc>https://scifaro.com/en/abs/a-multiscale-factorization-method-for-simulating-mesoscopic-systems-with-atomic-precision-1305.6096</loc><lastmod>2014-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multiscale-factorization-method-for-simulating-mesoscopic-systems-with-atomic-precision-1305.6096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multiscale-factorization-method-for-simulating-mesoscopic-systems-with-atomic-precision-1305.6096"/></url>
<url><loc>https://scifaro.com/en/abs/structures-of-cycloserine-and-2-oxazolidinone-probed-by-x-ray-photoelectron-spectroscopy-1305.6384</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structures-of-cycloserine-and-2-oxazolidinone-probed-by-x-ray-photoelectron-spectroscopy-1305.6384"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structures-of-cycloserine-and-2-oxazolidinone-probed-by-x-ray-photoelectron-spectroscopy-1305.6384"/></url>
<url><loc>https://scifaro.com/en/abs/a-qm-mm-molecular-dynamic-simulation-and-vibrational-spectroscopic-study-of-6-azacytidine-and-cytidine-1305.6664</loc><lastmod>2013-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-qm-mm-molecular-dynamic-simulation-and-vibrational-spectroscopic-study-of-6-azacytidine-and-cytidine-1305.6664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-qm-mm-molecular-dynamic-simulation-and-vibrational-spectroscopic-study-of-6-azacytidine-and-cytidine-1305.6664"/></url>
<url><loc>https://scifaro.com/en/abs/density-dependent-onset-of-the-long-range-exchange-a-key-to-donor-acceptor-properties-1305.6869</loc><lastmod>2013-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-dependent-onset-of-the-long-range-exchange-a-key-to-donor-acceptor-properties-1305.6869"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-dependent-onset-of-the-long-range-exchange-a-key-to-donor-acceptor-properties-1305.6869"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-of-molecular-electronic-properties-in-chemical-compound-space-1305.7074</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-of-molecular-electronic-properties-in-chemical-compound-space-1305.7074"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-of-molecular-electronic-properties-in-chemical-compound-space-1305.7074"/></url>
<url><loc>https://scifaro.com/en/abs/the-distinguishable-cluster-approximation-1305.7451</loc><lastmod>2013-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-distinguishable-cluster-approximation-1305.7451"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-distinguishable-cluster-approximation-1305.7451"/></url>
<url><loc>https://scifaro.com/en/abs/a-transferable-h2o-interaction-potential-based-on-a-single-center-multipole-expansion-scme-1306.0327</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-transferable-h2o-interaction-potential-based-on-a-single-center-multipole-expansion-scme-1306.0327"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-transferable-h2o-interaction-potential-based-on-a-single-center-multipole-expansion-scme-1306.0327"/></url>
<url><loc>https://scifaro.com/en/abs/relation-of-exact-gaussian-basis-methods-to-the-dephasing-representation-theory-and-application-to-time-resolved-electronic-spectra-1306.0617</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relation-of-exact-gaussian-basis-methods-to-the-dephasing-representation-theory-and-application-to-time-resolved-electronic-spectra-1306.0617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relation-of-exact-gaussian-basis-methods-to-the-dephasing-representation-theory-and-application-to-time-resolved-electronic-spectra-1306.0617"/></url>
<url><loc>https://scifaro.com/en/abs/dominance-of-eclipsed-ferrocene-conformer-in-solutions-revealed-by-the-ir-fingerprint-spectral-splitting-1306.0633</loc><lastmod>2013-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dominance-of-eclipsed-ferrocene-conformer-in-solutions-revealed-by-the-ir-fingerprint-spectral-splitting-1306.0633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dominance-of-eclipsed-ferrocene-conformer-in-solutions-revealed-by-the-ir-fingerprint-spectral-splitting-1306.0633"/></url>
<url><loc>https://scifaro.com/en/abs/improving-the-accuracy-and-efficiency-of-time-resolved-electronic-spectra-calculations-cellular-dephasing-representation-with-a-prefactor-1306.0721</loc><lastmod>2013-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-the-accuracy-and-efficiency-of-time-resolved-electronic-spectra-calculations-cellular-dephasing-representation-with-a-prefactor-1306.0721"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-the-accuracy-and-efficiency-of-time-resolved-electronic-spectra-calculations-cellular-dephasing-representation-with-a-prefactor-1306.0721"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-studies-of-ionization-potentials-of-hydrated-hydroxide-and-hydronium-1306.0855</loc><lastmod>2014-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-studies-of-ionization-potentials-of-hydrated-hydroxide-and-hydronium-1306.0855"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-studies-of-ionization-potentials-of-hydrated-hydroxide-and-hydronium-1306.0855"/></url>
<url><loc>https://scifaro.com/en/abs/2d-molecular-magnets-with-weak-topological-invariant-magnetic-moments-mathematical-prediction-of-targets-for-chemical-synthesis-1306.1273</loc><lastmod>2014-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/2d-molecular-magnets-with-weak-topological-invariant-magnetic-moments-mathematical-prediction-of-targets-for-chemical-synthesis-1306.1273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/2d-molecular-magnets-with-weak-topological-invariant-magnetic-moments-mathematical-prediction-of-targets-for-chemical-synthesis-1306.1273"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-control-at-its-most-fundamental-cep-dependent-electron-localization-in-photodissoziation-of-a-h2-molecular-ion-beam-target-1306.1755</loc><lastmod>2013-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-control-at-its-most-fundamental-cep-dependent-electron-localization-in-photodissoziation-of-a-h2-molecular-ion-beam-target-1306.1755"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-control-at-its-most-fundamental-cep-dependent-electron-localization-in-photodissoziation-of-a-h2-molecular-ion-beam-target-1306.1755"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-free-bond-breaking-via-machine-learning-1306.1812</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-free-bond-breaking-via-machine-learning-1306.1812"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-free-bond-breaking-via-machine-learning-1306.1812"/></url>
<url><loc>https://scifaro.com/en/abs/sodium-chloride-interaction-with-solvated-and-crystalline-cellulose-sodium-ion-affects-the-tetramer-and-fibril-in-aqueous-solution-1306.1818</loc><lastmod>2016-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sodium-chloride-interaction-with-solvated-and-crystalline-cellulose-sodium-ion-affects-the-tetramer-and-fibril-in-aqueous-solution-1306.1818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sodium-chloride-interaction-with-solvated-and-crystalline-cellulose-sodium-ion-affects-the-tetramer-and-fibril-in-aqueous-solution-1306.1818"/></url>
<url><loc>https://scifaro.com/en/abs/anisometric-charge-dependent-swelling-of-porous-carbon-in-an-ionic-liquid-1306.2071</loc><lastmod>2013-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anisometric-charge-dependent-swelling-of-porous-carbon-in-an-ionic-liquid-1306.2071"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anisometric-charge-dependent-swelling-of-porous-carbon-in-an-ionic-liquid-1306.2071"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-dot-size-on-exciton-binding-energy-and-electron-hole-recombination-probability-in-cdse-quantum-dots-1306.2110</loc><lastmod>2013-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-dot-size-on-exciton-binding-energy-and-electron-hole-recombination-probability-in-cdse-quantum-dots-1306.2110"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-dot-size-on-exciton-binding-energy-and-electron-hole-recombination-probability-in-cdse-quantum-dots-1306.2110"/></url>
<url><loc>https://scifaro.com/en/abs/a-preliminary-study-of-oxidation-of-lignin-from-rubber-wood-to-vanillin-in-ionic-liquid-medium-1306.2442</loc><lastmod>2013-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-preliminary-study-of-oxidation-of-lignin-from-rubber-wood-to-vanillin-in-ionic-liquid-medium-1306.2442"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-preliminary-study-of-oxidation-of-lignin-from-rubber-wood-to-vanillin-in-ionic-liquid-medium-1306.2442"/></url>
<url><loc>https://scifaro.com/en/abs/infinite-order-diagrammatic-summation-approach-to-explicitly-correlated-congruent-transformed-hamiltonian-1306.2446</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infinite-order-diagrammatic-summation-approach-to-explicitly-correlated-congruent-transformed-hamiltonian-1306.2446"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infinite-order-diagrammatic-summation-approach-to-explicitly-correlated-congruent-transformed-hamiltonian-1306.2446"/></url>
<url><loc>https://scifaro.com/en/abs/a-variational-surface-hopping-algorithm-for-the-sub-ohmic-spin-boson-model-1306.2865</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-variational-surface-hopping-algorithm-for-the-sub-ohmic-spin-boson-model-1306.2865"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-variational-surface-hopping-algorithm-for-the-sub-ohmic-spin-boson-model-1306.2865"/></url>
<url><loc>https://scifaro.com/en/abs/method-of-evaluating-chemical-shifts-of-x-ray-emission-lines-in-molecules-and-solids-1306.3424</loc><lastmod>2013-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/method-of-evaluating-chemical-shifts-of-x-ray-emission-lines-in-molecules-and-solids-1306.3424"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/method-of-evaluating-chemical-shifts-of-x-ray-emission-lines-in-molecules-and-solids-1306.3424"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-studies-of-photoinduced-charge-transfer-in-noncovalently-functionalized-carbon-nanotubes-1306.3430</loc><lastmod>2013-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-studies-of-photoinduced-charge-transfer-in-noncovalently-functionalized-carbon-nanotubes-1306.3430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-studies-of-photoinduced-charge-transfer-in-noncovalently-functionalized-carbon-nanotubes-1306.3430"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-and-efficient-approximation-to-the-optimized-effective-potential-for-exchange-1306.3603</loc><lastmod>2013-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-and-efficient-approximation-to-the-optimized-effective-potential-for-exchange-1306.3603"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-and-efficient-approximation-to-the-optimized-effective-potential-for-exchange-1306.3603"/></url>
<url><loc>https://scifaro.com/en/abs/photo-active-collagen-systems-with-controlled-triple-helix-architecture-1306.3799</loc><lastmod>2013-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photo-active-collagen-systems-with-controlled-triple-helix-architecture-1306.3799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photo-active-collagen-systems-with-controlled-triple-helix-architecture-1306.3799"/></url>
<url><loc>https://scifaro.com/en/abs/is-there-a-third-order-phase-transition-for-supercritical-fluids-1306.3843</loc><lastmod>2014-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-there-a-third-order-phase-transition-for-supercritical-fluids-1306.3843"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-there-a-third-order-phase-transition-for-supercritical-fluids-1306.3843"/></url>
<url><loc>https://scifaro.com/en/abs/efficiency-at-maximum-power-of-a-chemical-engine-1306.3866</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficiency-at-maximum-power-of-a-chemical-engine-1306.3866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficiency-at-maximum-power-of-a-chemical-engine-1306.3866"/></url>
<url><loc>https://scifaro.com/en/abs/carrier-envelope-phase-control-over-pathway-interference-in-strong-field-dissociation-of-h-2-1306.4010</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/carrier-envelope-phase-control-over-pathway-interference-in-strong-field-dissociation-of-h-2-1306.4010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/carrier-envelope-phase-control-over-pathway-interference-in-strong-field-dissociation-of-h-2-1306.4010"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-and-accurate-surface-hopping-for-long-time-nonadiabatic-quantum-dynamics-1306.4313</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-and-accurate-surface-hopping-for-long-time-nonadiabatic-quantum-dynamics-1306.4313"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-and-accurate-surface-hopping-for-long-time-nonadiabatic-quantum-dynamics-1306.4313"/></url>
<url><loc>https://scifaro.com/en/abs/the-dynamics-of-platinum-precipitation-in-an-ion-exchange-membrane-1306.4572</loc><lastmod>2013-06-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-dynamics-of-platinum-precipitation-in-an-ion-exchange-membrane-1306.4572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-dynamics-of-platinum-precipitation-in-an-ion-exchange-membrane-1306.4572"/></url>
<url><loc>https://scifaro.com/en/abs/a-mathematical-model-for-predicting-the-life-of-pem-fuel-cell-membranes-subjected-to-hydration-cycling-1306.4575</loc><lastmod>2013-06-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mathematical-model-for-predicting-the-life-of-pem-fuel-cell-membranes-subjected-to-hydration-cycling-1306.4575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mathematical-model-for-predicting-the-life-of-pem-fuel-cell-membranes-subjected-to-hydration-cycling-1306.4575"/></url>
<url><loc>https://scifaro.com/en/abs/the-impact-of-thermal-conductivity-and-diffusion-rates-on-water-vapor-transport-through-gas-diffusion-layers-1306.4577</loc><lastmod>2013-06-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-impact-of-thermal-conductivity-and-diffusion-rates-on-water-vapor-transport-through-gas-diffusion-layers-1306.4577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-impact-of-thermal-conductivity-and-diffusion-rates-on-water-vapor-transport-through-gas-diffusion-layers-1306.4577"/></url>
<url><loc>https://scifaro.com/en/abs/dual-band-electrodes-in-generator-collector-mode-simultaneous-measurement-of-two-species-1306.4587</loc><lastmod>2013-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dual-band-electrodes-in-generator-collector-mode-simultaneous-measurement-of-two-species-1306.4587"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dual-band-electrodes-in-generator-collector-mode-simultaneous-measurement-of-two-species-1306.4587"/></url>
<url><loc>https://scifaro.com/en/abs/exchange-correlation-energy-from-pairing-matrix-fluctuation-and-the-particle-particle-random-phase-approximation-1306.4957</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-correlation-energy-from-pairing-matrix-fluctuation-and-the-particle-particle-random-phase-approximation-1306.4957"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-correlation-energy-from-pairing-matrix-fluctuation-and-the-particle-particle-random-phase-approximation-1306.4957"/></url>
<url><loc>https://scifaro.com/en/abs/homogeneous-tip4p-2005-ice-nucleation-at-low-supercooling-1306.5123</loc><lastmod>2013-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/homogeneous-tip4p-2005-ice-nucleation-at-low-supercooling-1306.5123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/homogeneous-tip4p-2005-ice-nucleation-at-low-supercooling-1306.5123"/></url>
<url><loc>https://scifaro.com/en/abs/equivalence-of-particle-particle-random-phase-approximation-correlation-energy-and-ladder-coupled-cluster-double-1306.5638</loc><lastmod>2013-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equivalence-of-particle-particle-random-phase-approximation-correlation-energy-and-ladder-coupled-cluster-double-1306.5638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equivalence-of-particle-particle-random-phase-approximation-correlation-energy-and-ladder-coupled-cluster-double-1306.5638"/></url>
<url><loc>https://scifaro.com/en/abs/describing-diffusion-reaction-and-convection-on-porous-medium-1306.5713</loc><lastmod>2013-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/describing-diffusion-reaction-and-convection-on-porous-medium-1306.5713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/describing-diffusion-reaction-and-convection-on-porous-medium-1306.5713"/></url>
<url><loc>https://scifaro.com/en/abs/homogeneous-connectivity-of-potential-energy-network-in-a-solidlike-state-of-water-cluster-1306.5830</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/homogeneous-connectivity-of-potential-energy-network-in-a-solidlike-state-of-water-cluster-1306.5830"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/homogeneous-connectivity-of-potential-energy-network-in-a-solidlike-state-of-water-cluster-1306.5830"/></url>
<url><loc>https://scifaro.com/en/abs/alternative-separation-of-exchange-and-correlation-energies-in-range-separated-density-functional-perturbation-theory-1306.5885</loc><lastmod>2014-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alternative-separation-of-exchange-and-correlation-energies-in-range-separated-density-functional-perturbation-theory-1306.5885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alternative-separation-of-exchange-and-correlation-energies-in-range-separated-density-functional-perturbation-theory-1306.5885"/></url>
<url><loc>https://scifaro.com/en/abs/are-there-missing-bond-paths-in-trimethylenemethane-iron-tri-carbonyl-co-3fe-c4h6-complex-1306.6350</loc><lastmod>2013-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/are-there-missing-bond-paths-in-trimethylenemethane-iron-tri-carbonyl-co-3fe-c4h6-complex-1306.6350"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/are-there-missing-bond-paths-in-trimethylenemethane-iron-tri-carbonyl-co-3fe-c4h6-complex-1306.6350"/></url>
<url><loc>https://scifaro.com/en/abs/particle-particle-and-quasiparticle-random-phase-approximations-connections-to-coupled-cluster-theory-1306.6360</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/particle-particle-and-quasiparticle-random-phase-approximations-connections-to-coupled-cluster-theory-1306.6360"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/particle-particle-and-quasiparticle-random-phase-approximations-connections-to-coupled-cluster-theory-1306.6360"/></url>
<url><loc>https://scifaro.com/en/abs/on-corrections-to-the-born-oppenheimer-approximation-1306.6574</loc><lastmod>2013-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-corrections-to-the-born-oppenheimer-approximation-1306.6574"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-corrections-to-the-born-oppenheimer-approximation-1306.6574"/></url>
<url><loc>https://scifaro.com/en/abs/an-equation-of-state-for-helium-1306.6577</loc><lastmod>2013-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-equation-of-state-for-helium-1306.6577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-equation-of-state-for-helium-1306.6577"/></url>
<url><loc>https://scifaro.com/en/abs/building-the-chessboard-like-supramolecular-structure-on-au-111-surfaces-1306.6718</loc><lastmod>2013-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/building-the-chessboard-like-supramolecular-structure-on-au-111-surfaces-1306.6718"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/building-the-chessboard-like-supramolecular-structure-on-au-111-surfaces-1306.6718"/></url>
<url><loc>https://scifaro.com/en/abs/intrinsic-atomic-orbitals-an-unbiased-bridge-between-quantum-theory-and-chemical-concepts-1306.6884</loc><lastmod>2013-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrinsic-atomic-orbitals-an-unbiased-bridge-between-quantum-theory-and-chemical-concepts-1306.6884"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrinsic-atomic-orbitals-an-unbiased-bridge-between-quantum-theory-and-chemical-concepts-1306.6884"/></url>
<url><loc>https://scifaro.com/en/abs/transition-between-mechanisms-of-laser-induced-field-free-molecular-orientation-1307.0303</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-between-mechanisms-of-laser-induced-field-free-molecular-orientation-1307.0303"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-between-mechanisms-of-laser-induced-field-free-molecular-orientation-1307.0303"/></url>
<url><loc>https://scifaro.com/en/abs/mixed-quantum-classical-dynamics-on-the-exact-time-dependent-potential-energy-surface-a-fresh-look-at-non-adiabatic-processes-1307.0351</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixed-quantum-classical-dynamics-on-the-exact-time-dependent-potential-energy-surface-a-fresh-look-at-non-adiabatic-processes-1307.0351"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixed-quantum-classical-dynamics-on-the-exact-time-dependent-potential-energy-surface-a-fresh-look-at-non-adiabatic-processes-1307.0351"/></url>
<url><loc>https://scifaro.com/en/abs/atomistic-study-of-energy-funneling-in-the-light-harvesting-complex-of-green-sulfur-bacteria-1307.0886</loc><lastmod>2014-03-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomistic-study-of-energy-funneling-in-the-light-harvesting-complex-of-green-sulfur-bacteria-1307.0886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomistic-study-of-energy-funneling-in-the-light-harvesting-complex-of-green-sulfur-bacteria-1307.0886"/></url>
<url><loc>https://scifaro.com/en/abs/titanium-dioxide-tio2-nanoparticles-xrd-analyses-an-insight-1307.1091</loc><lastmod>2013-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/titanium-dioxide-tio2-nanoparticles-xrd-analyses-an-insight-1307.1091"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/titanium-dioxide-tio2-nanoparticles-xrd-analyses-an-insight-1307.1091"/></url>
<url><loc>https://scifaro.com/en/abs/molten-air-a-new-highest-energy-class-of-rechargeable-batteries-1307.1305</loc><lastmod>2013-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molten-air-a-new-highest-energy-class-of-rechargeable-batteries-1307.1305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molten-air-a-new-highest-energy-class-of-rechargeable-batteries-1307.1305"/></url>
<url><loc>https://scifaro.com/en/abs/a-general-efficient-and-robust-method-to-calculate-free-energy-difference-between-systems-1307.1620</loc><lastmod>2013-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-general-efficient-and-robust-method-to-calculate-free-energy-difference-between-systems-1307.1620"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-general-efficient-and-robust-method-to-calculate-free-energy-difference-between-systems-1307.1620"/></url>
<url><loc>https://scifaro.com/en/abs/extension-of-the-b3lyp-dispersion-correcting-potential-approach-to-the-accurate-treatment-of-both-inter-and-intramolecular-interactions-1307.1637</loc><lastmod>2013-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extension-of-the-b3lyp-dispersion-correcting-potential-approach-to-the-accurate-treatment-of-both-inter-and-intramolecular-interactions-1307.1637"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extension-of-the-b3lyp-dispersion-correcting-potential-approach-to-the-accurate-treatment-of-both-inter-and-intramolecular-interactions-1307.1637"/></url>
<url><loc>https://scifaro.com/en/abs/dft-gga-errors-in-no-chemisorption-energies-on-111-transition-metal-surfaces-possible-origins-and-correction-schemes-1307.1644</loc><lastmod>2013-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dft-gga-errors-in-no-chemisorption-energies-on-111-transition-metal-surfaces-possible-origins-and-correction-schemes-1307.1644"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dft-gga-errors-in-no-chemisorption-energies-on-111-transition-metal-surfaces-possible-origins-and-correction-schemes-1307.1644"/></url>
<url><loc>https://scifaro.com/en/abs/room-temperature-compressibility-and-diffusivity-of-liquid-water-from-first-principles-1307.1645</loc><lastmod>2013-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/room-temperature-compressibility-and-diffusivity-of-liquid-water-from-first-principles-1307.1645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/room-temperature-compressibility-and-diffusivity-of-liquid-water-from-first-principles-1307.1645"/></url>
<url><loc>https://scifaro.com/en/abs/studies-on-the-hollow-states-of-atomic-lithium-by-a-density-functional-approach-1307.1965</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/studies-on-the-hollow-states-of-atomic-lithium-by-a-density-functional-approach-1307.1965"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/studies-on-the-hollow-states-of-atomic-lithium-by-a-density-functional-approach-1307.1965"/></url>
<url><loc>https://scifaro.com/en/abs/convective-replica-exchange-in-ergodic-regimes-1307.2115</loc><lastmod>2014-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/convective-replica-exchange-in-ergodic-regimes-1307.2115"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/convective-replica-exchange-in-ergodic-regimes-1307.2115"/></url>
<url><loc>https://scifaro.com/en/abs/peculiar-points-in-the-phase-diagram-of-the-water-alcohol-solutions-1307.2231</loc><lastmod>2013-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/peculiar-points-in-the-phase-diagram-of-the-water-alcohol-solutions-1307.2231"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/peculiar-points-in-the-phase-diagram-of-the-water-alcohol-solutions-1307.2231"/></url>
<url><loc>https://scifaro.com/en/abs/cooee-bitumen-chemical-aging-1307.2460</loc><lastmod>2013-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cooee-bitumen-chemical-aging-1307.2460"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cooee-bitumen-chemical-aging-1307.2460"/></url>
<url><loc>https://scifaro.com/en/abs/four-component-united-atom-model-of-bitumen-1307.2468</loc><lastmod>2013-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/four-component-united-atom-model-of-bitumen-1307.2468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/four-component-united-atom-model-of-bitumen-1307.2468"/></url>
<url><loc>https://scifaro.com/en/abs/fourier-series-of-atomic-radial-distribution-functions-a-molecular-fingerprint-for-machine-learning-models-of-quantum-chemical-properties-1307.2918</loc><lastmod>2015-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fourier-series-of-atomic-radial-distribution-functions-a-molecular-fingerprint-for-machine-learning-models-of-quantum-chemical-properties-1307.2918"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fourier-series-of-atomic-radial-distribution-functions-a-molecular-fingerprint-for-machine-learning-models-of-quantum-chemical-properties-1307.2918"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-dft-method-for-atoms-and-molecules-in-cartesian-grid-1307.2985</loc><lastmod>2013-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-dft-method-for-atoms-and-molecules-in-cartesian-grid-1307.2985"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-dft-method-for-atoms-and-molecules-in-cartesian-grid-1307.2985"/></url>
<url><loc>https://scifaro.com/en/abs/derivation-of-a-true-t-0-quantum-transition-state-theory-ii-recovery-of-the-exact-quantum-rate-in-the-absence-of-recrossing-1307.3020</loc><lastmod>2013-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/derivation-of-a-true-t-0-quantum-transition-state-theory-ii-recovery-of-the-exact-quantum-rate-in-the-absence-of-recrossing-1307.3020"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/derivation-of-a-true-t-0-quantum-transition-state-theory-ii-recovery-of-the-exact-quantum-rate-in-the-absence-of-recrossing-1307.3020"/></url>
<url><loc>https://scifaro.com/en/abs/two-electron-reduction-of-ethylene-carbonate-a-quantum-chemistry-re-examination-of-mechanisms-1307.3165</loc><lastmod>2013-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-electron-reduction-of-ethylene-carbonate-a-quantum-chemistry-re-examination-of-mechanisms-1307.3165"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-electron-reduction-of-ethylene-carbonate-a-quantum-chemistry-re-examination-of-mechanisms-1307.3165"/></url>
<url><loc>https://scifaro.com/en/abs/optimal-finite-range-atomic-basis-sets-for-liquid-water-and-ice-1307.3187</loc><lastmod>2013-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-finite-range-atomic-basis-sets-for-liquid-water-and-ice-1307.3187"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-finite-range-atomic-basis-sets-for-liquid-water-and-ice-1307.3187"/></url>
<url><loc>https://scifaro.com/en/abs/the-plastic-and-liquid-phases-of-ccl-3-br-studied-by-molecular-dynamics-simulations-1307.3374</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-plastic-and-liquid-phases-of-ccl-3-br-studied-by-molecular-dynamics-simulations-1307.3374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-plastic-and-liquid-phases-of-ccl-3-br-studied-by-molecular-dynamics-simulations-1307.3374"/></url>
<url><loc>https://scifaro.com/en/abs/the-water-supercooled-regime-as-described-by-four-common-water-models-1307.3405</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-water-supercooled-regime-as-described-by-four-common-water-models-1307.3405"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-water-supercooled-regime-as-described-by-four-common-water-models-1307.3405"/></url>
<url><loc>https://scifaro.com/en/abs/self-assembly-of-semiconducting-single-walled-carbon-nanotubes-into-dense-aligned-rafts-1307.3565</loc><lastmod>2013-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-assembly-of-semiconducting-single-walled-carbon-nanotubes-into-dense-aligned-rafts-1307.3565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-assembly-of-semiconducting-single-walled-carbon-nanotubes-into-dense-aligned-rafts-1307.3565"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-relation-between-hydrogen-bonds-tetrahedral-order-and-molecular-mobility-in-model-water-1307.3611</loc><lastmod>2013-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-relation-between-hydrogen-bonds-tetrahedral-order-and-molecular-mobility-in-model-water-1307.3611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-relation-between-hydrogen-bonds-tetrahedral-order-and-molecular-mobility-in-model-water-1307.3611"/></url>
<url><loc>https://scifaro.com/en/abs/eigenstates-of-thiophosgene-near-the-dissociation-threshold-deviations-from-ergodicity-1307.3622</loc><lastmod>2014-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eigenstates-of-thiophosgene-near-the-dissociation-threshold-deviations-from-ergodicity-1307.3622"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eigenstates-of-thiophosgene-near-the-dissociation-threshold-deviations-from-ergodicity-1307.3622"/></url>
<url><loc>https://scifaro.com/en/abs/derivation-of-a-true-t-0-quantum-transition-state-theory-part-i-uniqueness-and-equivalence-to-ring-polymer-molecular-dynamics-transition-state-theory-1307.3729</loc><lastmod>2013-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/derivation-of-a-true-t-0-quantum-transition-state-theory-part-i-uniqueness-and-equivalence-to-ring-polymer-molecular-dynamics-transition-state-theory-1307.3729"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/derivation-of-a-true-t-0-quantum-transition-state-theory-part-i-uniqueness-and-equivalence-to-ring-polymer-molecular-dynamics-transition-state-theory-1307.3729"/></url>
<url><loc>https://scifaro.com/en/abs/configurational-entropy-of-ice-from-thermodynamic-integration-1307.3950</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/configurational-entropy-of-ice-from-thermodynamic-integration-1307.3950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/configurational-entropy-of-ice-from-thermodynamic-integration-1307.3950"/></url>
<url><loc>https://scifaro.com/en/abs/associative-detachment-of-rubidium-hydroxide-1307.4125</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/associative-detachment-of-rubidium-hydroxide-1307.4125"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/associative-detachment-of-rubidium-hydroxide-1307.4125"/></url>
<url><loc>https://scifaro.com/en/abs/topological-characterization-of-crystalline-ice-structures-from-coordination-sequences-1307.4611</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topological-characterization-of-crystalline-ice-structures-from-coordination-sequences-1307.4611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topological-characterization-of-crystalline-ice-structures-from-coordination-sequences-1307.4611"/></url>
<url><loc>https://scifaro.com/en/abs/reveal-of-small-alkanes-and-isomers-using-calculated-core-and-valence-binding-energy-spectra-and-total-momentum-cross-sections-1307.4831</loc><lastmod>2013-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reveal-of-small-alkanes-and-isomers-using-calculated-core-and-valence-binding-energy-spectra-and-total-momentum-cross-sections-1307.4831"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reveal-of-small-alkanes-and-isomers-using-calculated-core-and-valence-binding-energy-spectra-and-total-momentum-cross-sections-1307.4831"/></url>
<url><loc>https://scifaro.com/en/abs/improving-the-electronic-and-optical-properties-of-carbz-pahtddt-based-dyes-through-chemical-modifications-1307.4832</loc><lastmod>2013-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-the-electronic-and-optical-properties-of-carbz-pahtddt-based-dyes-through-chemical-modifications-1307.4832"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-the-electronic-and-optical-properties-of-carbz-pahtddt-based-dyes-through-chemical-modifications-1307.4832"/></url>
<url><loc>https://scifaro.com/en/abs/scaling-perspective-on-intramolecular-vibrational-energy-flow-analogies-insights-and-challenges-1307.4856</loc><lastmod>2013-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scaling-perspective-on-intramolecular-vibrational-energy-flow-analogies-insights-and-challenges-1307.4856"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scaling-perspective-on-intramolecular-vibrational-energy-flow-analogies-insights-and-challenges-1307.4856"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-monte-carlo-simulation-of-electrodeposition-using-the-embedded-atom-method-1307.5586</loc><lastmod>2014-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-monte-carlo-simulation-of-electrodeposition-using-the-embedded-atom-method-1307.5586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-monte-carlo-simulation-of-electrodeposition-using-the-embedded-atom-method-1307.5586"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-density-functional-theory-for-real-time-electronic-dynamics-on-material-surfaces-1307.5762</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-density-functional-theory-for-real-time-electronic-dynamics-on-material-surfaces-1307.5762"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-density-functional-theory-for-real-time-electronic-dynamics-on-material-surfaces-1307.5762"/></url>
<url><loc>https://scifaro.com/en/abs/the-evidence-of-quasi-free-positronium-state-in-gips-amoc-spectra-of-glycerol-1307.5775</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-evidence-of-quasi-free-positronium-state-in-gips-amoc-spectra-of-glycerol-1307.5775"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-evidence-of-quasi-free-positronium-state-in-gips-amoc-spectra-of-glycerol-1307.5775"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-approach-to-two-centre-exponential-integrals-with-applications-to-excited-states-of-molecular-hydrogen-1307.6065</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-approach-to-two-centre-exponential-integrals-with-applications-to-excited-states-of-molecular-hydrogen-1307.6065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-approach-to-two-centre-exponential-integrals-with-applications-to-excited-states-of-molecular-hydrogen-1307.6065"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-study-of-the-effects-of-ions-on-the-reorientation-dynamics-of-water-1307.6075</loc><lastmod>2013-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-study-of-the-effects-of-ions-on-the-reorientation-dynamics-of-water-1307.6075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-study-of-the-effects-of-ions-on-the-reorientation-dynamics-of-water-1307.6075"/></url>
<url><loc>https://scifaro.com/en/abs/a-single-oscillator-quantum-model-for-magnetochiral-birefringence-1307.6611</loc><lastmod>2014-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-single-oscillator-quantum-model-for-magnetochiral-birefringence-1307.6611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-single-oscillator-quantum-model-for-magnetochiral-birefringence-1307.6611"/></url>
<url><loc>https://scifaro.com/en/abs/rate-dependent-morphology-of-li2o2-growth-in-li-o2-batteries-1307.6621</loc><lastmod>2013-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rate-dependent-morphology-of-li2o2-growth-in-li-o2-batteries-1307.6621"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rate-dependent-morphology-of-li2o2-growth-in-li-o2-batteries-1307.6621"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-density-functional-theory-of-water-describing-hydrophobicity-at-short-and-long-length-scales-1307.7237</loc><lastmod>2013-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-density-functional-theory-of-water-describing-hydrophobicity-at-short-and-long-length-scales-1307.7237"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-density-functional-theory-of-water-describing-hydrophobicity-at-short-and-long-length-scales-1307.7237"/></url>
<url><loc>https://scifaro.com/en/abs/what-water-properties-are-responsible-for-the-physiological-temperature-interval-limits-of-warm-blooded-organisms-1307.7295</loc><lastmod>2013-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/what-water-properties-are-responsible-for-the-physiological-temperature-interval-limits-of-warm-blooded-organisms-1307.7295"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/what-water-properties-are-responsible-for-the-physiological-temperature-interval-limits-of-warm-blooded-organisms-1307.7295"/></url>
<url><loc>https://scifaro.com/en/abs/molten-salts-database-for-energy-applications-1307.7343</loc><lastmod>2013-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molten-salts-database-for-energy-applications-1307.7343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molten-salts-database-for-energy-applications-1307.7343"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-intrinsic-variables-and-state-reconstruction-in-multiscale-simulations-1307.7580</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-intrinsic-variables-and-state-reconstruction-in-multiscale-simulations-1307.7580"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-intrinsic-variables-and-state-reconstruction-in-multiscale-simulations-1307.7580"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-quantum-mechanical-effects-in-water-using-isotopic-fractionation-1307.7684</loc><lastmod>2013-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-quantum-mechanical-effects-in-water-using-isotopic-fractionation-1307.7684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-quantum-mechanical-effects-in-water-using-isotopic-fractionation-1307.7684"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-uniqueness-of-t-0-quantum-transition-state-theory-1307.8035</loc><lastmod>2013-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-uniqueness-of-t-0-quantum-transition-state-theory-1307.8035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-uniqueness-of-t-0-quantum-transition-state-theory-1307.8035"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-the-parity-and-time-reversal-violating-interaction-in-solids-1308.0163</loc><lastmod>2013-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-the-parity-and-time-reversal-violating-interaction-in-solids-1308.0163"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-the-parity-and-time-reversal-violating-interaction-in-solids-1308.0163"/></url>
<url><loc>https://scifaro.com/en/abs/global-solutions-of-hartree-fock-theory-and-their-consequences-for-strongly-correlated-quantum-systems-1308.0272</loc><lastmod>2014-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/global-solutions-of-hartree-fock-theory-and-their-consequences-for-strongly-correlated-quantum-systems-1308.0272"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/global-solutions-of-hartree-fock-theory-and-their-consequences-for-strongly-correlated-quantum-systems-1308.0272"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-tho-for-the-electron-electric-dipole-moment-search-1308.0414</loc><lastmod>2013-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-tho-for-the-electron-electric-dipole-moment-search-1308.0414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-tho-for-the-electron-electric-dipole-moment-search-1308.0414"/></url>
<url><loc>https://scifaro.com/en/abs/barrierless-reactions-in-solution-an-analytically-solvable-model-1308.0659</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/barrierless-reactions-in-solution-an-analytically-solvable-model-1308.0659"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/barrierless-reactions-in-solution-an-analytically-solvable-model-1308.0659"/></url>
<url><loc>https://scifaro.com/en/abs/effectiveness-of-the-product-stabilization-in-direct-three-body-recombination-1308.0703</loc><lastmod>2013-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effectiveness-of-the-product-stabilization-in-direct-three-body-recombination-1308.0703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effectiveness-of-the-product-stabilization-in-direct-three-body-recombination-1308.0703"/></url>
<url><loc>https://scifaro.com/en/abs/elastic-and-inelastic-collisions-of-2-sigma-molecules-in-a-magnetic-field-1308.0771</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elastic-and-inelastic-collisions-of-2-sigma-molecules-in-a-magnetic-field-1308.0771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elastic-and-inelastic-collisions-of-2-sigma-molecules-in-a-magnetic-field-1308.0771"/></url>
<url><loc>https://scifaro.com/en/abs/large-scale-molecular-dynamics-simulations-of-homogeneous-nucleation-1308.0972</loc><lastmod>2013-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/large-scale-molecular-dynamics-simulations-of-homogeneous-nucleation-1308.0972"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/large-scale-molecular-dynamics-simulations-of-homogeneous-nucleation-1308.0972"/></url>
<url><loc>https://scifaro.com/en/abs/rethinking-hydrogen-bond-kinetics-1308.1030</loc><lastmod>2013-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rethinking-hydrogen-bond-kinetics-1308.1030"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rethinking-hydrogen-bond-kinetics-1308.1030"/></url>
<url><loc>https://scifaro.com/en/abs/spatial-extension-of-excitons-in-triphenylene-based-polymers-given-by-range-separated-functionals-1308.1053</loc><lastmod>2013-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spatial-extension-of-excitons-in-triphenylene-based-polymers-given-by-range-separated-functionals-1308.1053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spatial-extension-of-excitons-in-triphenylene-based-polymers-given-by-range-separated-functionals-1308.1053"/></url>
<url><loc>https://scifaro.com/en/abs/how-is-entropy-production-rate-related-to-chemical-reaction-rate-1308.1193</loc><lastmod>2019-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-is-entropy-production-rate-related-to-chemical-reaction-rate-1308.1193"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-is-entropy-production-rate-related-to-chemical-reaction-rate-1308.1193"/></url>
<url><loc>https://scifaro.com/en/abs/mixed-field-orientation-of-molecules-without-rotational-symmetry-1308.1216</loc><lastmod>2014-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixed-field-orientation-of-molecules-without-rotational-symmetry-1308.1216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixed-field-orientation-of-molecules-without-rotational-symmetry-1308.1216"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-from-regularized-symmetry-adapted-perturbation-theory-1308.1231</loc><lastmod>2013-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-from-regularized-symmetry-adapted-perturbation-theory-1308.1231"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-from-regularized-symmetry-adapted-perturbation-theory-1308.1231"/></url>
<url><loc>https://scifaro.com/en/abs/barrierless-electronic-relaxation-in-solution-an-analytically-solvable-model-with-arbitrary-coupling-1308.1354</loc><lastmod>2013-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/barrierless-electronic-relaxation-in-solution-an-analytically-solvable-model-with-arbitrary-coupling-1308.1354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/barrierless-electronic-relaxation-in-solution-an-analytically-solvable-model-with-arbitrary-coupling-1308.1354"/></url>
<url><loc>https://scifaro.com/en/abs/alternative-separation-of-exchange-and-correlation-energies-in-multi-configuration-range-separated-density-functional-theory-1308.1486</loc><lastmod>2013-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alternative-separation-of-exchange-and-correlation-energies-in-multi-configuration-range-separated-density-functional-theory-1308.1486"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alternative-separation-of-exchange-and-correlation-energies-in-multi-configuration-range-separated-density-functional-theory-1308.1486"/></url>
<url><loc>https://scifaro.com/en/abs/insights-into-the-semiclassical-wigner-treatment-of-bimolecular-collisions-1308.1527</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/insights-into-the-semiclassical-wigner-treatment-of-bimolecular-collisions-1308.1527"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/insights-into-the-semiclassical-wigner-treatment-of-bimolecular-collisions-1308.1527"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-grafting-of-naphthylmethyl-radicals-to-epitaxial-graphene-a-versatile-platform-to-reversibly-engineer-the-band-structure-and-transport-properties-of-graphene-1308.1645</loc><lastmod>2013-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-grafting-of-naphthylmethyl-radicals-to-epitaxial-graphene-a-versatile-platform-to-reversibly-engineer-the-band-structure-and-transport-properties-of-graphene-1308.1645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-grafting-of-naphthylmethyl-radicals-to-epitaxial-graphene-a-versatile-platform-to-reversibly-engineer-the-band-structure-and-transport-properties-of-graphene-1308.1645"/></url>
<url><loc>https://scifaro.com/en/abs/absolute-absorption-and-fluorescence-measurements-over-a-dynamic-range-of-10-6-with-cavity-enhanced-laser-induced-fluorescence-1308.1989</loc><lastmod>2013-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absolute-absorption-and-fluorescence-measurements-over-a-dynamic-range-of-10-6-with-cavity-enhanced-laser-induced-fluorescence-1308.1989"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absolute-absorption-and-fluorescence-measurements-over-a-dynamic-range-of-10-6-with-cavity-enhanced-laser-induced-fluorescence-1308.1989"/></url>
<url><loc>https://scifaro.com/en/abs/dramatic-changes-in-electronic-structure-revealed-by-fractionally-charged-nuclei-1308.1991</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dramatic-changes-in-electronic-structure-revealed-by-fractionally-charged-nuclei-1308.1991"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dramatic-changes-in-electronic-structure-revealed-by-fractionally-charged-nuclei-1308.1991"/></url>
<url><loc>https://scifaro.com/en/abs/unravelling-the-quantum-entanglement-effect-of-noble-gas-coordination-on-the-spin-ground-state-of-cuo-1308.2019</loc><lastmod>2015-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unravelling-the-quantum-entanglement-effect-of-noble-gas-coordination-on-the-spin-ground-state-of-cuo-1308.2019"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unravelling-the-quantum-entanglement-effect-of-noble-gas-coordination-on-the-spin-ground-state-of-cuo-1308.2019"/></url>
<url><loc>https://scifaro.com/en/abs/absolute-density-measurement-of-sd-radicals-in-a-supersonic-jet-at-the-quantum-noise-limit-1308.2105</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absolute-density-measurement-of-sd-radicals-in-a-supersonic-jet-at-the-quantum-noise-limit-1308.2105"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absolute-density-measurement-of-sd-radicals-in-a-supersonic-jet-at-the-quantum-noise-limit-1308.2105"/></url>
<url><loc>https://scifaro.com/en/abs/vuv-spectroscopic-study-of-the-bb-1su-state-of-h2-1308.2300</loc><lastmod>2013-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vuv-spectroscopic-study-of-the-bb-1su-state-of-h2-1308.2300"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vuv-spectroscopic-study-of-the-bb-1su-state-of-h2-1308.2300"/></url>
<url><loc>https://scifaro.com/en/abs/current-densities-in-density-functional-theory-1308.2664</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/current-densities-in-density-functional-theory-1308.2664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/current-densities-in-density-functional-theory-1308.2664"/></url>
<url><loc>https://scifaro.com/en/abs/singlet-excited-states-of-anions-with-higher-main-group-elements-1308.2916</loc><lastmod>2013-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/singlet-excited-states-of-anions-with-higher-main-group-elements-1308.2916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/singlet-excited-states-of-anions-with-higher-main-group-elements-1308.2916"/></url>
<url><loc>https://scifaro.com/en/abs/reactivity-boundaries-to-separate-the-fate-of-a-chemical-reaction-associated-with-multiple-saddles-1308.3048</loc><lastmod>2013-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactivity-boundaries-to-separate-the-fate-of-a-chemical-reaction-associated-with-multiple-saddles-1308.3048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactivity-boundaries-to-separate-the-fate-of-a-chemical-reaction-associated-with-multiple-saddles-1308.3048"/></url>
<url><loc>https://scifaro.com/en/abs/calculating-hyperfine-couplings-in-large-ionic-crystals-containing-hundreds-of-qm-atoms-subsystem-dft-is-the-key-1308.3134</loc><lastmod>2013-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculating-hyperfine-couplings-in-large-ionic-crystals-containing-hundreds-of-qm-atoms-subsystem-dft-is-the-key-1308.3134"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculating-hyperfine-couplings-in-large-ionic-crystals-containing-hundreds-of-qm-atoms-subsystem-dft-is-the-key-1308.3134"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-electronic-and-rovibrational-studies-for-anions-of-interest-to-the-dibs-1308.3507</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-electronic-and-rovibrational-studies-for-anions-of-interest-to-the-dibs-1308.3507"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-electronic-and-rovibrational-studies-for-anions-of-interest-to-the-dibs-1308.3507"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-alignment-using-circularly-polarized-laser-pulses-1308.3599</loc><lastmod>2014-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-alignment-using-circularly-polarized-laser-pulses-1308.3599"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-alignment-using-circularly-polarized-laser-pulses-1308.3599"/></url>
<url><loc>https://scifaro.com/en/abs/laplacian-based-generalized-gradient-approximations-for-the-exchange-energy-1308.3744</loc><lastmod>2013-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laplacian-based-generalized-gradient-approximations-for-the-exchange-energy-1308.3744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laplacian-based-generalized-gradient-approximations-for-the-exchange-energy-1308.3744"/></url>
<url><loc>https://scifaro.com/en/abs/an-electronically-non-adiabatic-generalization-of-ring-polymer-molecular-dynamics-1308.3950</loc><lastmod>2013-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-electronically-non-adiabatic-generalization-of-ring-polymer-molecular-dynamics-1308.3950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-electronically-non-adiabatic-generalization-of-ring-polymer-molecular-dynamics-1308.3950"/></url>
<url><loc>https://scifaro.com/en/abs/cn-excitation-and-electron-densities-in-diffuse-molecular-clouds-1308.4010</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cn-excitation-and-electron-densities-in-diffuse-molecular-clouds-1308.4010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cn-excitation-and-electron-densities-in-diffuse-molecular-clouds-1308.4010"/></url>
<url><loc>https://scifaro.com/en/abs/absence-of-dynamical-steps-in-the-exact-correlation-potential-in-linear-response-1308.4043</loc><lastmod>2013-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absence-of-dynamical-steps-in-the-exact-correlation-potential-in-linear-response-1308.4043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absence-of-dynamical-steps-in-the-exact-correlation-potential-in-linear-response-1308.4043"/></url>
<url><loc>https://scifaro.com/en/abs/reply-to-comment-on-correlated-electron-nuclear-dynamics-exact-factorization-of-the-molecular-wavefunction-j-chem-phys-137-22a530-2012-1308.4085</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reply-to-comment-on-correlated-electron-nuclear-dynamics-exact-factorization-of-the-molecular-wavefunction-j-chem-phys-137-22a530-2012-1308.4085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reply-to-comment-on-correlated-electron-nuclear-dynamics-exact-factorization-of-the-molecular-wavefunction-j-chem-phys-137-22a530-2012-1308.4085"/></url>
<url><loc>https://scifaro.com/en/abs/optimal-control-theory-for-quantum-classical-systems-ehrenfest-molecular-dynamics-based-on-time-dependent-density-functional-theory-1308.4162</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-control-theory-for-quantum-classical-systems-ehrenfest-molecular-dynamics-based-on-time-dependent-density-functional-theory-1308.4162"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-control-theory-for-quantum-classical-systems-ehrenfest-molecular-dynamics-based-on-time-dependent-density-functional-theory-1308.4162"/></url>
<url><loc>https://scifaro.com/en/abs/testing-excited-state-energy-density-functional-and-potential-with-the-ionization-potential-theorem-1308.4242</loc><lastmod>2014-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/testing-excited-state-energy-density-functional-and-potential-with-the-ionization-potential-theorem-1308.4242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/testing-excited-state-energy-density-functional-and-potential-with-the-ionization-potential-theorem-1308.4242"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-of-desorption-with-lateral-diffusion-1308.4315</loc><lastmod>2013-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-of-desorption-with-lateral-diffusion-1308.4315"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-of-desorption-with-lateral-diffusion-1308.4315"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-adiabatic-connection-in-ensemble-density-functional-theory-for-excited-states-example-of-the-h2-molecule-1308.4596</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-adiabatic-connection-in-ensemble-density-functional-theory-for-excited-states-example-of-the-h2-molecule-1308.4596"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-adiabatic-connection-in-ensemble-density-functional-theory-for-excited-states-example-of-the-h2-molecule-1308.4596"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-charge-transfer-excitations-in-organic-dyes-obtained-from-td-srdft-based-on-long-range-mp2-and-mcscf-wave-functions-1308.4889</loc><lastmod>2013-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-charge-transfer-excitations-in-organic-dyes-obtained-from-td-srdft-based-on-long-range-mp2-and-mcscf-wave-functions-1308.4889"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-charge-transfer-excitations-in-organic-dyes-obtained-from-td-srdft-based-on-long-range-mp2-and-mcscf-wave-functions-1308.4889"/></url>
<url><loc>https://scifaro.com/en/abs/organometallic-complexes-of-graphene-1308.4924</loc><lastmod>2013-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/organometallic-complexes-of-graphene-1308.4924"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/organometallic-complexes-of-graphene-1308.4924"/></url>
<url><loc>https://scifaro.com/en/abs/a-kinetic-study-of-amyloid-formation-fibril-growth-and-length-distributions-1308.5161</loc><lastmod>2013-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-kinetic-study-of-amyloid-formation-fibril-growth-and-length-distributions-1308.5161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-kinetic-study-of-amyloid-formation-fibril-growth-and-length-distributions-1308.5161"/></url>
<url><loc>https://scifaro.com/en/abs/approaches-to-measuring-entanglement-in-chemical-magnetometers-1308.5172</loc><lastmod>2014-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approaches-to-measuring-entanglement-in-chemical-magnetometers-1308.5172"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approaches-to-measuring-entanglement-in-chemical-magnetometers-1308.5172"/></url>
<url><loc>https://scifaro.com/en/abs/triple-helical-collagen-hydrogels-via-covalent-aromatic-functionalization-with-1-3-phenylenediacetic-acid-1308.5316</loc><lastmod>2013-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/triple-helical-collagen-hydrogels-via-covalent-aromatic-functionalization-with-1-3-phenylenediacetic-acid-1308.5316"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/triple-helical-collagen-hydrogels-via-covalent-aromatic-functionalization-with-1-3-phenylenediacetic-acid-1308.5316"/></url>
<url><loc>https://scifaro.com/en/abs/spin-lock-composite-and-shaped-pulses-for-efficient-and-robust-pumping-of-dark-states-in-magnetic-resonance-1308.5666</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-lock-composite-and-shaped-pulses-for-efficient-and-robust-pumping-of-dark-states-in-magnetic-resonance-1308.5666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-lock-composite-and-shaped-pulses-for-efficient-and-robust-pumping-of-dark-states-in-magnetic-resonance-1308.5666"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-kinetics-of-solid-and-liquid-chcl-3-1308.5931</loc><lastmod>2013-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-kinetics-of-solid-and-liquid-chcl-3-1308.5931"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-kinetics-of-solid-and-liquid-chcl-3-1308.5931"/></url>
<url><loc>https://scifaro.com/en/abs/simple-non-empirical-procedure-for-spin-component-scaled-mp2-methods-applied-to-the-calculation-of-dissociation-energy-curve-of-noncovalently-interacting-systems-1308.6153</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-non-empirical-procedure-for-spin-component-scaled-mp2-methods-applied-to-the-calculation-of-dissociation-energy-curve-of-noncovalently-interacting-systems-1308.6153"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-non-empirical-procedure-for-spin-component-scaled-mp2-methods-applied-to-the-calculation-of-dissociation-energy-curve-of-noncovalently-interacting-systems-1308.6153"/></url>
<url><loc>https://scifaro.com/en/abs/specific-chemical-reactivities-of-spatially-separated-3-aminophenol-conformers-with-cold-ca-ions-1308.6538</loc><lastmod>2014-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/specific-chemical-reactivities-of-spatially-separated-3-aminophenol-conformers-with-cold-ca-ions-1308.6538"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/specific-chemical-reactivities-of-spatially-separated-3-aminophenol-conformers-with-cold-ca-ions-1308.6538"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-broadband-raman-spectroscopies-a-unified-six-wave-mixing-representation-1308.6622</loc><lastmod>2013-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-broadband-raman-spectroscopies-a-unified-six-wave-mixing-representation-1308.6622"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-broadband-raman-spectroscopies-a-unified-six-wave-mixing-representation-1308.6622"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-gas-dependence-of-thermal-transpiration-and-a-critical-appraisal-of-correction-methods-for-capacitive-diaphragm-gauges-1308.6794</loc><lastmod>2014-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-gas-dependence-of-thermal-transpiration-and-a-critical-appraisal-of-correction-methods-for-capacitive-diaphragm-gauges-1308.6794"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-gas-dependence-of-thermal-transpiration-and-a-critical-appraisal-of-correction-methods-for-capacitive-diaphragm-gauges-1308.6794"/></url>
<url><loc>https://scifaro.com/en/abs/description-of-cross-peaks-induced-by-intermolecular-vibrational-energy-transfer-in-two-dimensional-infrared-spectroscopy-1309.0216</loc><lastmod>2013-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/description-of-cross-peaks-induced-by-intermolecular-vibrational-energy-transfer-in-two-dimensional-infrared-spectroscopy-1309.0216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/description-of-cross-peaks-induced-by-intermolecular-vibrational-energy-transfer-in-two-dimensional-infrared-spectroscopy-1309.0216"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-approach-to-ab-initio-monte-carlo-simulation-1309.0257</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-approach-to-ab-initio-monte-carlo-simulation-1309.0257"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-approach-to-ab-initio-monte-carlo-simulation-1309.0257"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-properties-by-quantum-monte-carlo-an-investigation-on-the-role-of-the-wave-function-ansatz-and-the-basis-set-in-the-water-molecule-1309.0427</loc><lastmod>2014-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-properties-by-quantum-monte-carlo-an-investigation-on-the-role-of-the-wave-function-ansatz-and-the-basis-set-in-the-water-molecule-1309.0427"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-properties-by-quantum-monte-carlo-an-investigation-on-the-role-of-the-wave-function-ansatz-and-the-basis-set-in-the-water-molecule-1309.0427"/></url>
<url><loc>https://scifaro.com/en/abs/nonperturbative-treatment-of-coupled-anharmonic-vibrational-molecular-modes-analyzed-by-2d-infrared-spectroscopy-1309.0432</loc><lastmod>2013-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonperturbative-treatment-of-coupled-anharmonic-vibrational-molecular-modes-analyzed-by-2d-infrared-spectroscopy-1309.0432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonperturbative-treatment-of-coupled-anharmonic-vibrational-molecular-modes-analyzed-by-2d-infrared-spectroscopy-1309.0432"/></url>
<url><loc>https://scifaro.com/en/abs/origin-of-long-lived-oscillations-in-2d-spectra-of-a-quantum-vibronic-model-electronic-vs-vibrational-coherence-1309.0470</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/origin-of-long-lived-oscillations-in-2d-spectra-of-a-quantum-vibronic-model-electronic-vs-vibrational-coherence-1309.0470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/origin-of-long-lived-oscillations-in-2d-spectra-of-a-quantum-vibronic-model-electronic-vs-vibrational-coherence-1309.0470"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-spectroscopy-with-an-optical-centrifuge-1309.0481</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-spectroscopy-with-an-optical-centrifuge-1309.0481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-spectroscopy-with-an-optical-centrifuge-1309.0481"/></url>
<url><loc>https://scifaro.com/en/abs/xe-anions-in-stable-mg-xe-compounds-the-mechanism-of-missing-xe-in-earth-atmosphere-1309.0696</loc><lastmod>2013-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/xe-anions-in-stable-mg-xe-compounds-the-mechanism-of-missing-xe-in-earth-atmosphere-1309.0696"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/xe-anions-in-stable-mg-xe-compounds-the-mechanism-of-missing-xe-in-earth-atmosphere-1309.0696"/></url>
<url><loc>https://scifaro.com/en/abs/exact-stochastic-unraveling-of-an-optical-coherence-dynamics-by-cumulant-expansion-1309.0749</loc><lastmod>2014-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-stochastic-unraveling-of-an-optical-coherence-dynamics-by-cumulant-expansion-1309.0749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-stochastic-unraveling-of-an-optical-coherence-dynamics-by-cumulant-expansion-1309.0749"/></url>
<url><loc>https://scifaro.com/en/abs/a-discontinuous-functional-for-linear-response-time-dependent-density-functional-theory-the-exact-exchange-kernel-and-approximate-forms-1309.0783</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-discontinuous-functional-for-linear-response-time-dependent-density-functional-theory-the-exact-exchange-kernel-and-approximate-forms-1309.0783"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-discontinuous-functional-for-linear-response-time-dependent-density-functional-theory-the-exact-exchange-kernel-and-approximate-forms-1309.0783"/></url>
<url><loc>https://scifaro.com/en/abs/does-an-irreversible-chemical-cycle-support-equilibrium-1309.0960</loc><lastmod>2013-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/does-an-irreversible-chemical-cycle-support-equilibrium-1309.0960"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/does-an-irreversible-chemical-cycle-support-equilibrium-1309.0960"/></url>
<url><loc>https://scifaro.com/en/abs/electrophysical-characteristics-of-near-surface-layers-in-p-si-crystals-with-sputtered-al-films-and-subjected-to-elastic-deformation-1309.0983</loc><lastmod>2013-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrophysical-characteristics-of-near-surface-layers-in-p-si-crystals-with-sputtered-al-films-and-subjected-to-elastic-deformation-1309.0983"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrophysical-characteristics-of-near-surface-layers-in-p-si-crystals-with-sputtered-al-films-and-subjected-to-elastic-deformation-1309.0983"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-conformational-dynamics-of-alanine-dipeptide-in-solution-subjected-to-an-external-electric-field-a-nonequilibrium-molecular-dynamics-simulation-1309.1406</loc><lastmod>2014-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-conformational-dynamics-of-alanine-dipeptide-in-solution-subjected-to-an-external-electric-field-a-nonequilibrium-molecular-dynamics-simulation-1309.1406"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-conformational-dynamics-of-alanine-dipeptide-in-solution-subjected-to-an-external-electric-field-a-nonequilibrium-molecular-dynamics-simulation-1309.1406"/></url>
<url><loc>https://scifaro.com/en/abs/shake-rattle-and-roll-a-model-of-dynamic-structural-disorder-in-supported-nanoscale-catalysts-1309.1493</loc><lastmod>2013-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/shake-rattle-and-roll-a-model-of-dynamic-structural-disorder-in-supported-nanoscale-catalysts-1309.1493"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/shake-rattle-and-roll-a-model-of-dynamic-structural-disorder-in-supported-nanoscale-catalysts-1309.1493"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-the-density-functional-methods-on-the-photoabsorption-of-bodipy-dyes-1309.1633</loc><lastmod>2014-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-the-density-functional-methods-on-the-photoabsorption-of-bodipy-dyes-1309.1633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-the-density-functional-methods-on-the-photoabsorption-of-bodipy-dyes-1309.1633"/></url>
<url><loc>https://scifaro.com/en/abs/a-hybrid-stochastic-hierarchy-equations-of-motion-approach-to-treat-the-low-temperature-dynamics-of-non-markovian-open-quantum-systems-1309.2276</loc><lastmod>2013-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-hybrid-stochastic-hierarchy-equations-of-motion-approach-to-treat-the-low-temperature-dynamics-of-non-markovian-open-quantum-systems-1309.2276"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-hybrid-stochastic-hierarchy-equations-of-motion-approach-to-treat-the-low-temperature-dynamics-of-non-markovian-open-quantum-systems-1309.2276"/></url>
<url><loc>https://scifaro.com/en/abs/sneaking-up-on-the-criegee-intermediate-from-below-predicted-photoelectron-spectrum-of-the-ch-2oo-anion-and-w3-f12-electron-affinity-of-ch-2oo-1309.2554</loc><lastmod>2015-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sneaking-up-on-the-criegee-intermediate-from-below-predicted-photoelectron-spectrum-of-the-ch-2oo-anion-and-w3-f12-electron-affinity-of-ch-2oo-1309.2554"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sneaking-up-on-the-criegee-intermediate-from-below-predicted-photoelectron-spectrum-of-the-ch-2oo-anion-and-w3-f12-electron-affinity-of-ch-2oo-1309.2554"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-charge-separation-in-organic-photovoltaics-enhanced-by-charge-delocalization-and-vibronically-hot-exciton-dissociation-1309.2818</loc><lastmod>2013-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-charge-separation-in-organic-photovoltaics-enhanced-by-charge-delocalization-and-vibronically-hot-exciton-dissociation-1309.2818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-charge-separation-in-organic-photovoltaics-enhanced-by-charge-delocalization-and-vibronically-hot-exciton-dissociation-1309.2818"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-density-functional-theory-in-context-1309.3043</loc><lastmod>2014-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-density-functional-theory-in-context-1309.3043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-density-functional-theory-in-context-1309.3043"/></url>
<url><loc>https://scifaro.com/en/abs/nucleation-stage-in-supersaturated-vapor-with-inhomogeneities-due-to-nonstationary-diffusion-onto-growing-droplets-1309.3071</loc><lastmod>2014-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nucleation-stage-in-supersaturated-vapor-with-inhomogeneities-due-to-nonstationary-diffusion-onto-growing-droplets-1309.3071"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nucleation-stage-in-supersaturated-vapor-with-inhomogeneities-due-to-nonstationary-diffusion-onto-growing-droplets-1309.3071"/></url>
<url><loc>https://scifaro.com/en/abs/projected-and-hidden-markov-models-for-calculating-kinetics-and-metastable-states-of-complex-molecules-1309.3220</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/projected-and-hidden-markov-models-for-calculating-kinetics-and-metastable-states-of-complex-molecules-1309.3220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/projected-and-hidden-markov-models-for-calculating-kinetics-and-metastable-states-of-complex-molecules-1309.3220"/></url>
<url><loc>https://scifaro.com/en/abs/ice-formation-via-deposition-mode-nucleation-on-bare-and-alcohol-covered-graphite-surfaces-1309.3246</loc><lastmod>2013-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ice-formation-via-deposition-mode-nucleation-on-bare-and-alcohol-covered-graphite-surfaces-1309.3246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ice-formation-via-deposition-mode-nucleation-on-bare-and-alcohol-covered-graphite-surfaces-1309.3246"/></url>
<url><loc>https://scifaro.com/en/abs/a-brief-review-ultrafast-electron-diffractive-voltammetry-general-formalism-and-applications-1309.3353</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-brief-review-ultrafast-electron-diffractive-voltammetry-general-formalism-and-applications-1309.3353"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-brief-review-ultrafast-electron-diffractive-voltammetry-general-formalism-and-applications-1309.3353"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-thermodynamic-analysis-of-a-closed-cycle-process-for-the-conversion-of-heat-into-electrical-energy-by-means-of-a-distiller-and-an-electrochemical-cell-1309.3643</loc><lastmod>2022-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-thermodynamic-analysis-of-a-closed-cycle-process-for-the-conversion-of-heat-into-electrical-energy-by-means-of-a-distiller-and-an-electrochemical-cell-1309.3643"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-thermodynamic-analysis-of-a-closed-cycle-process-for-the-conversion-of-heat-into-electrical-energy-by-means-of-a-distiller-and-an-electrochemical-cell-1309.3643"/></url>
<url><loc>https://scifaro.com/en/abs/surface-transformations-and-water-uptake-on-liquid-and-solid-butanol-near-the-melting-temperature-1309.3843</loc><lastmod>2013-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-transformations-and-water-uptake-on-liquid-and-solid-butanol-near-the-melting-temperature-1309.3843"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-transformations-and-water-uptake-on-liquid-and-solid-butanol-near-the-melting-temperature-1309.3843"/></url>
<url><loc>https://scifaro.com/en/abs/a-favorably-scaling-natural-orbital-functional-theory-based-on-higher-order-occupation-probabilities-1309.3929</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-favorably-scaling-natural-orbital-functional-theory-based-on-higher-order-occupation-probabilities-1309.3929"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-favorably-scaling-natural-orbital-functional-theory-based-on-higher-order-occupation-probabilities-1309.3929"/></url>
<url><loc>https://scifaro.com/en/abs/construction-of-a-general-semilocal-exchange-correlation-hole-model-application-to-nonempirical-meta-gga-functionals-1309.3954</loc><lastmod>2013-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/construction-of-a-general-semilocal-exchange-correlation-hole-model-application-to-nonempirical-meta-gga-functionals-1309.3954"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/construction-of-a-general-semilocal-exchange-correlation-hole-model-application-to-nonempirical-meta-gga-functionals-1309.3954"/></url>
<url><loc>https://scifaro.com/en/abs/defective-graphene-as-promising-anode-material-for-na-ion-battery-and-ca-ion-battery-1309.4176</loc><lastmod>2013-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/defective-graphene-as-promising-anode-material-for-na-ion-battery-and-ca-ion-battery-1309.4176"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/defective-graphene-as-promising-anode-material-for-na-ion-battery-and-ca-ion-battery-1309.4176"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-humidity-temperature-and-radicals-on-the-formation-and-thermal-properties-of-secondary-organic-aerosol-soa-from-ozonolysis-of-beta-pinene-1309.4202</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-humidity-temperature-and-radicals-on-the-formation-and-thermal-properties-of-secondary-organic-aerosol-soa-from-ozonolysis-of-beta-pinene-1309.4202"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-humidity-temperature-and-radicals-on-the-formation-and-thermal-properties-of-secondary-organic-aerosol-soa-from-ozonolysis-of-beta-pinene-1309.4202"/></url>
<url><loc>https://scifaro.com/en/abs/phase-separation-dynamics-in-isotropic-ion-intercalation-particles-1309.4543</loc><lastmod>2014-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-separation-dynamics-in-isotropic-ion-intercalation-particles-1309.4543"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-separation-dynamics-in-isotropic-ion-intercalation-particles-1309.4543"/></url>
<url><loc>https://scifaro.com/en/abs/instrumental-neutron-activation-analysis-of-an-enriched-28si-single-crystal-1309.4865</loc><lastmod>2013-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/instrumental-neutron-activation-analysis-of-an-enriched-28si-single-crystal-1309.4865"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/instrumental-neutron-activation-analysis-of-an-enriched-28si-single-crystal-1309.4865"/></url>
<url><loc>https://scifaro.com/en/abs/multi-layer-potfit-an-accurate-potential-representation-for-efficient-high-dimensional-quantum-dynamics-1309.5060</loc><lastmod>2014-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-layer-potfit-an-accurate-potential-representation-for-efficient-high-dimensional-quantum-dynamics-1309.5060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-layer-potfit-an-accurate-potential-representation-for-efficient-high-dimensional-quantum-dynamics-1309.5060"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-calculation-of-molecular-aggregation-effects-a-coumarin-343-case-study-1309.5165</loc><lastmod>2013-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-calculation-of-molecular-aggregation-effects-a-coumarin-343-case-study-1309.5165"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-calculation-of-molecular-aggregation-effects-a-coumarin-343-case-study-1309.5165"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-impedance-of-a-battery-electrode-with-anisotropic-active-particles-1309.5864</loc><lastmod>2013-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-impedance-of-a-battery-electrode-with-anisotropic-active-particles-1309.5864"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-impedance-of-a-battery-electrode-with-anisotropic-active-particles-1309.5864"/></url>
<url><loc>https://scifaro.com/en/abs/excited-electronic-states-from-a-variational-approach-based-on-symmetry-projected-hartree-fock-configurations-1309.6343</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-electronic-states-from-a-variational-approach-based-on-symmetry-projected-hartree-fock-configurations-1309.6343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-electronic-states-from-a-variational-approach-based-on-symmetry-projected-hartree-fock-configurations-1309.6343"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-transition-states-and-roaming-in-ion-molecule-reactions-a-phase-space-perspective-1309.6432</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-transition-states-and-roaming-in-ion-molecule-reactions-a-phase-space-perspective-1309.6432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-transition-states-and-roaming-in-ion-molecule-reactions-a-phase-space-perspective-1309.6432"/></url>
<url><loc>https://scifaro.com/en/abs/nonstatistical-dynamics-on-potentials-exhibiting-reaction-path-bifurcations-and-valley-ridge-inflection-points-1309.6763</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonstatistical-dynamics-on-potentials-exhibiting-reaction-path-bifurcations-and-valley-ridge-inflection-points-1309.6763"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonstatistical-dynamics-on-potentials-exhibiting-reaction-path-bifurcations-and-valley-ridge-inflection-points-1309.6763"/></url>
<url><loc>https://scifaro.com/en/abs/measuring-long-lived-13-c-singlet-state-lifetimes-at-natural-abundance-1309.7372</loc><lastmod>2014-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-long-lived-13-c-singlet-state-lifetimes-at-natural-abundance-1309.7372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-long-lived-13-c-singlet-state-lifetimes-at-natural-abundance-1309.7372"/></url>
<url><loc>https://scifaro.com/en/abs/silicon-sheets-by-redox-assisted-chemical-exfoliation-1309.7590</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/silicon-sheets-by-redox-assisted-chemical-exfoliation-1309.7590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/silicon-sheets-by-redox-assisted-chemical-exfoliation-1309.7590"/></url>
<url><loc>https://scifaro.com/en/abs/optimal-coordinate-as-a-general-method-in-stochastic-dynamics-1309.7866</loc><lastmod>2013-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-coordinate-as-a-general-method-in-stochastic-dynamics-1309.7866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-coordinate-as-a-general-method-in-stochastic-dynamics-1309.7866"/></url>
<url><loc>https://scifaro.com/en/abs/vibrationally-coherent-crossing-and-coupling-of-electronic-states-during-internal-conversion-in-beta-carotene-1309.7929</loc><lastmod>2014-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrationally-coherent-crossing-and-coupling-of-electronic-states-during-internal-conversion-in-beta-carotene-1309.7929"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrationally-coherent-crossing-and-coupling-of-electronic-states-during-internal-conversion-in-beta-carotene-1309.7929"/></url>
<url><loc>https://scifaro.com/en/abs/proper-and-improper-zero-energy-modes-in-hartree-fock-theory-and-their-relevance-for-symmetry-breaking-and-restoration-1310.0942</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proper-and-improper-zero-energy-modes-in-hartree-fock-theory-and-their-relevance-for-symmetry-breaking-and-restoration-1310.0942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proper-and-improper-zero-energy-modes-in-hartree-fock-theory-and-their-relevance-for-symmetry-breaking-and-restoration-1310.0942"/></url>
<url><loc>https://scifaro.com/en/abs/the-phase-diagram-of-ice-a-quasi-harmonic-study-based-on-a-flexible-water-model-1310.1006</loc><lastmod>2013-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-phase-diagram-of-ice-a-quasi-harmonic-study-based-on-a-flexible-water-model-1310.1006"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-phase-diagram-of-ice-a-quasi-harmonic-study-based-on-a-flexible-water-model-1310.1006"/></url>
<url><loc>https://scifaro.com/en/abs/iterative-stochastic-subspace-self-consistent-field-method-1310.1146</loc><lastmod>2021-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/iterative-stochastic-subspace-self-consistent-field-method-1310.1146"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/iterative-stochastic-subspace-self-consistent-field-method-1310.1146"/></url>
<url><loc>https://scifaro.com/en/abs/long-lived-heteronuclear-spin-singlet-states-1310.1291</loc><lastmod>2013-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-lived-heteronuclear-spin-singlet-states-1310.1291"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-lived-heteronuclear-spin-singlet-states-1310.1291"/></url>
<url><loc>https://scifaro.com/en/abs/vibronic-phenomena-and-exciton-vibrational-interference-in-two-dimensional-spectra-of-molecular-aggregates-1310.1343</loc><lastmod>2014-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibronic-phenomena-and-exciton-vibrational-interference-in-two-dimensional-spectra-of-molecular-aggregates-1310.1343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibronic-phenomena-and-exciton-vibrational-interference-in-two-dimensional-spectra-of-molecular-aggregates-1310.1343"/></url>
<url><loc>https://scifaro.com/en/abs/mechano-freezing-of-the-ambient-water-1310.1441</loc><lastmod>2013-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechano-freezing-of-the-ambient-water-1310.1441"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechano-freezing-of-the-ambient-water-1310.1441"/></url>
<url><loc>https://scifaro.com/en/abs/rate-of-convergence-of-phase-field-equations-in-strongly-heterogeneous-media-towards-their-homogenized-limit-1310.1499</loc><lastmod>2013-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rate-of-convergence-of-phase-field-equations-in-strongly-heterogeneous-media-towards-their-homogenized-limit-1310.1499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rate-of-convergence-of-phase-field-equations-in-strongly-heterogeneous-media-towards-their-homogenized-limit-1310.1499"/></url>
<url><loc>https://scifaro.com/en/abs/ion-neutralisation-mass-spectrometry-route-to-radium-monofluoride-raf-1310.1511</loc><lastmod>2013-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ion-neutralisation-mass-spectrometry-route-to-radium-monofluoride-raf-1310.1511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ion-neutralisation-mass-spectrometry-route-to-radium-monofluoride-raf-1310.1511"/></url>
<url><loc>https://scifaro.com/en/abs/existence-of-three-phase-interlines-on-a-cerium-dioxide-surface-1310.2065</loc><lastmod>2013-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/existence-of-three-phase-interlines-on-a-cerium-dioxide-surface-1310.2065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/existence-of-three-phase-interlines-on-a-cerium-dioxide-surface-1310.2065"/></url>
<url><loc>https://scifaro.com/en/abs/a-novel-method-for-calculating-relative-free-energy-of-similar-molecules-in-two-environments-1310.2112</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-novel-method-for-calculating-relative-free-energy-of-similar-molecules-in-two-environments-1310.2112"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-novel-method-for-calculating-relative-free-energy-of-similar-molecules-in-two-environments-1310.2112"/></url>
<url><loc>https://scifaro.com/en/abs/tensor-product-approximation-dmrg-and-coupled-cluster-method-in-quantum-chemistry-1310.2736</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tensor-product-approximation-dmrg-and-coupled-cluster-method-in-quantum-chemistry-1310.2736"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tensor-product-approximation-dmrg-and-coupled-cluster-method-in-quantum-chemistry-1310.2736"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-co2-formation-in-interstellar-ices-1310.3189</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-co2-formation-in-interstellar-ices-1310.3189"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-co2-formation-in-interstellar-ices-1310.3189"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-exact-analytic-second-virial-coefficient-for-the-lennard-jones-fluid-arxiv-0909-3326v1-1310.3586</loc><lastmod>2013-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-exact-analytic-second-virial-coefficient-for-the-lennard-jones-fluid-arxiv-0909-3326v1-1310.3586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-exact-analytic-second-virial-coefficient-for-the-lennard-jones-fluid-arxiv-0909-3326v1-1310.3586"/></url>
<url><loc>https://scifaro.com/en/abs/multi-scale-theory-in-the-molecular-simulation-of-electrolyte-solutions-1310.3835</loc><lastmod>2013-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-scale-theory-in-the-molecular-simulation-of-electrolyte-solutions-1310.3835"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-scale-theory-in-the-molecular-simulation-of-electrolyte-solutions-1310.3835"/></url>
<url><loc>https://scifaro.com/en/abs/a-vertical-architecture-for-increasing-photogalvanic-solar-cell-efficiency-theory-and-modeling-1310.3925</loc><lastmod>2014-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-vertical-architecture-for-increasing-photogalvanic-solar-cell-efficiency-theory-and-modeling-1310.3925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-vertical-architecture-for-increasing-photogalvanic-solar-cell-efficiency-theory-and-modeling-1310.3925"/></url>
<url><loc>https://scifaro.com/en/abs/tracer-diffusion-inside-fibrinogen-layers-1310.4334</loc><lastmod>2014-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tracer-diffusion-inside-fibrinogen-layers-1310.4334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tracer-diffusion-inside-fibrinogen-layers-1310.4334"/></url>
<url><loc>https://scifaro.com/en/abs/reactions-between-cold-methyl-halide-molecules-and-alkali-metal-atoms-1310.4414</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactions-between-cold-methyl-halide-molecules-and-alkali-metal-atoms-1310.4414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactions-between-cold-methyl-halide-molecules-and-alkali-metal-atoms-1310.4414"/></url>
<url><loc>https://scifaro.com/en/abs/the-two-component-quantum-theory-of-atoms-in-molecules-tc-qtaim-the-unified-theory-of-localization-delocalization-of-electrons-nuclei-and-exotic-elementary-particles-1310.5086</loc><lastmod>2013-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-two-component-quantum-theory-of-atoms-in-molecules-tc-qtaim-the-unified-theory-of-localization-delocalization-of-electrons-nuclei-and-exotic-elementary-particles-1310.5086"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-two-component-quantum-theory-of-atoms-in-molecules-tc-qtaim-the-unified-theory-of-localization-delocalization-of-electrons-nuclei-and-exotic-elementary-particles-1310.5086"/></url>
<url><loc>https://scifaro.com/en/abs/a-guided-stochastic-energy-domain-formulation-of-the-second-order-m-o-ller-plesset-perturbation-theory-1310.5366</loc><lastmod>2013-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-guided-stochastic-energy-domain-formulation-of-the-second-order-m-o-ller-plesset-perturbation-theory-1310.5366"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-guided-stochastic-energy-domain-formulation-of-the-second-order-m-o-ller-plesset-perturbation-theory-1310.5366"/></url>
<url><loc>https://scifaro.com/en/abs/seeking-for-ultrashort-non-bonded-hydrogen-hydrogen-contacts-in-some-rigid-hydrocarbons-and-their-chlorinated-derivatives-1310.5375</loc><lastmod>2014-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/seeking-for-ultrashort-non-bonded-hydrogen-hydrogen-contacts-in-some-rigid-hydrocarbons-and-their-chlorinated-derivatives-1310.5375"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/seeking-for-ultrashort-non-bonded-hydrogen-hydrogen-contacts-in-some-rigid-hydrocarbons-and-their-chlorinated-derivatives-1310.5375"/></url>
<url><loc>https://scifaro.com/en/abs/overlimiting-current-and-shock-electrodialysis-in-porous-media-1310.5719</loc><lastmod>2013-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/overlimiting-current-and-shock-electrodialysis-in-porous-media-1310.5719"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/overlimiting-current-and-shock-electrodialysis-in-porous-media-1310.5719"/></url>
<url><loc>https://scifaro.com/en/abs/many-body-quantum-chemistry-for-the-electron-gas-convergent-perturbative-theories-1310.6059</loc><lastmod>2013-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-body-quantum-chemistry-for-the-electron-gas-convergent-perturbative-theories-1310.6059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-body-quantum-chemistry-for-the-electron-gas-convergent-perturbative-theories-1310.6059"/></url>
<url><loc>https://scifaro.com/en/abs/quantifying-environmental-effects-on-the-decay-of-hole-transfer-couplings-in-biosystems-1310.6189</loc><lastmod>2014-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantifying-environmental-effects-on-the-decay-of-hole-transfer-couplings-in-biosystems-1310.6189"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantifying-environmental-effects-on-the-decay-of-hole-transfer-couplings-in-biosystems-1310.6189"/></url>
<url><loc>https://scifaro.com/en/abs/range-separated-brueckner-coupled-cluster-doubles-theory-1310.6425</loc><lastmod>2014-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/range-separated-brueckner-coupled-cluster-doubles-theory-1310.6425"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/range-separated-brueckner-coupled-cluster-doubles-theory-1310.6425"/></url>
<url><loc>https://scifaro.com/en/abs/o-h-o-bond-anomalous-relaxation-resolving-mpemba-paradox-1310.6514</loc><lastmod>2015-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/o-h-o-bond-anomalous-relaxation-resolving-mpemba-paradox-1310.6514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/o-h-o-bond-anomalous-relaxation-resolving-mpemba-paradox-1310.6514"/></url>
<url><loc>https://scifaro.com/en/abs/interdigitated-ring-electrodes-theory-and-experiment-1310.6596</loc><lastmod>2013-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interdigitated-ring-electrodes-theory-and-experiment-1310.6596"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interdigitated-ring-electrodes-theory-and-experiment-1310.6596"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-channels-in-the-homogeneous-electron-gas-1310.6806</loc><lastmod>2014-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-channels-in-the-homogeneous-electron-gas-1310.6806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-channels-in-the-homogeneous-electron-gas-1310.6806"/></url>
<url><loc>https://scifaro.com/en/abs/disentangling-electronic-and-vibrational-coherence-in-the-phycocyanin-645-light-harvesting-complex-1310.6826</loc><lastmod>2015-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/disentangling-electronic-and-vibrational-coherence-in-the-phycocyanin-645-light-harvesting-complex-1310.6826"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/disentangling-electronic-and-vibrational-coherence-in-the-phycocyanin-645-light-harvesting-complex-1310.6826"/></url>
<url><loc>https://scifaro.com/en/abs/tension-moderation-and-fluctuation-spectrum-in-simulated-lipid-membranes-under-an-applied-electric-potential-1310.6889</loc><lastmod>2013-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tension-moderation-and-fluctuation-spectrum-in-simulated-lipid-membranes-under-an-applied-electric-potential-1310.6889"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tension-moderation-and-fluctuation-spectrum-in-simulated-lipid-membranes-under-an-applied-electric-potential-1310.6889"/></url>
<url><loc>https://scifaro.com/en/abs/the-power-law-reaction-rate-coefficient-for-an-elementary-bimolecular-reaction-1310.7188</loc><lastmod>2015-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-power-law-reaction-rate-coefficient-for-an-elementary-bimolecular-reaction-1310.7188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-power-law-reaction-rate-coefficient-for-an-elementary-bimolecular-reaction-1310.7188"/></url>
<url><loc>https://scifaro.com/en/abs/tuneable-drug-loading-capability-of-chitosan-hydrogels-with-varied-network-architectures-1310.7461</loc><lastmod>2013-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuneable-drug-loading-capability-of-chitosan-hydrogels-with-varied-network-architectures-1310.7461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuneable-drug-loading-capability-of-chitosan-hydrogels-with-varied-network-architectures-1310.7461"/></url>
<url><loc>https://scifaro.com/en/abs/the-impact-of-organic-friction-modifiers-on-engine-oil-tribofilms-1310.7510</loc><lastmod>2013-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-impact-of-organic-friction-modifiers-on-engine-oil-tribofilms-1310.7510"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-impact-of-organic-friction-modifiers-on-engine-oil-tribofilms-1310.7510"/></url>
<url><loc>https://scifaro.com/en/abs/a-diabatic-representation-of-the-two-lowest-electronic-states-of-li3-1310.7528</loc><lastmod>2014-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-diabatic-representation-of-the-two-lowest-electronic-states-of-li3-1310.7528"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-diabatic-representation-of-the-two-lowest-electronic-states-of-li3-1310.7528"/></url>
<url><loc>https://scifaro.com/en/abs/xps-on-corrosion-products-of-zncr-coated-steel-on-the-reliability-of-ar-ion-depth-profiling-for-multi-component-material-analysis-1310.7725</loc><lastmod>2014-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/xps-on-corrosion-products-of-zncr-coated-steel-on-the-reliability-of-ar-ion-depth-profiling-for-multi-component-material-analysis-1310.7725"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/xps-on-corrosion-products-of-zncr-coated-steel-on-the-reliability-of-ar-ion-depth-profiling-for-multi-component-material-analysis-1310.7725"/></url>
<url><loc>https://scifaro.com/en/abs/comparison-of-classical-and-quantal-calculations-of-helium-three-body-recombination-1310.7990</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparison-of-classical-and-quantal-calculations-of-helium-three-body-recombination-1310.7990"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparison-of-classical-and-quantal-calculations-of-helium-three-body-recombination-1310.7990"/></url>
<url><loc>https://scifaro.com/en/abs/self-consistent-energy-approximation-for-orbital-free-density-functional-theory-1310.8113</loc><lastmod>2013-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-consistent-energy-approximation-for-orbital-free-density-functional-theory-1310.8113"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-consistent-energy-approximation-for-orbital-free-density-functional-theory-1310.8113"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-excitation-in-the-interstellar-medium-recent-advances-in-collisional-radiative-and-chemical-processes-1310.8259</loc><lastmod>2013-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-excitation-in-the-interstellar-medium-recent-advances-in-collisional-radiative-and-chemical-processes-1310.8259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-excitation-in-the-interstellar-medium-recent-advances-in-collisional-radiative-and-chemical-processes-1310.8259"/></url>
<url><loc>https://scifaro.com/en/abs/long-lived-complexes-ergodicity-and-chaos-in-ultracold-molecular-collisions-1311.0294</loc><lastmod>2014-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-lived-complexes-ergodicity-and-chaos-in-ultracold-molecular-collisions-1311.0294"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-lived-complexes-ergodicity-and-chaos-in-ultracold-molecular-collisions-1311.0294"/></url>
<url><loc>https://scifaro.com/en/abs/performance-enhancement-of-tio2-based-dye-sensitized-solar-cells-by-carbon-nanospheres-in-photoanode-1311.0415</loc><lastmod>2015-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-enhancement-of-tio2-based-dye-sensitized-solar-cells-by-carbon-nanospheres-in-photoanode-1311.0415"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-enhancement-of-tio2-based-dye-sensitized-solar-cells-by-carbon-nanospheres-in-photoanode-1311.0415"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-of-the-elementary-act-of-electrochemical-reactions-at-the-semiconductor-electrolyte-solution-interface-1311.0639</loc><lastmod>2014-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-of-the-elementary-act-of-electrochemical-reactions-at-the-semiconductor-electrolyte-solution-interface-1311.0639"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-of-the-elementary-act-of-electrochemical-reactions-at-the-semiconductor-electrolyte-solution-interface-1311.0639"/></url>
<url><loc>https://scifaro.com/en/abs/a-density-difference-based-analysis-of-orbital-dependent-exchange-correlation-functionals-1311.1299</loc><lastmod>2015-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-density-difference-based-analysis-of-orbital-dependent-exchange-correlation-functionals-1311.1299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-density-difference-based-analysis-of-orbital-dependent-exchange-correlation-functionals-1311.1299"/></url>
<url><loc>https://scifaro.com/en/abs/continuous-molecular-fields-approach-applied-to-structure-activity-modeling-1311.1495</loc><lastmod>2013-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuous-molecular-fields-approach-applied-to-structure-activity-modeling-1311.1495"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuous-molecular-fields-approach-applied-to-structure-activity-modeling-1311.1495"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-response-of-the-polarizable-swm4-ndp-water-model-1311.1986</loc><lastmod>2013-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-response-of-the-polarizable-swm4-ndp-water-model-1311.1986"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-response-of-the-polarizable-swm4-ndp-water-model-1311.1986"/></url>
<url><loc>https://scifaro.com/en/abs/distinguishing-electronic-and-vibronic-coherence-in-2d-spectra-by-their-temperature-dependence-1311.3068</loc><lastmod>2017-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/distinguishing-electronic-and-vibronic-coherence-in-2d-spectra-by-their-temperature-dependence-1311.3068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/distinguishing-electronic-and-vibronic-coherence-in-2d-spectra-by-their-temperature-dependence-1311.3068"/></url>
<url><loc>https://scifaro.com/en/abs/exact-electronic-potentials-in-coupled-electron-ion-dynamics-1311.3218</loc><lastmod>2013-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-electronic-potentials-in-coupled-electron-ion-dynamics-1311.3218"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-electronic-potentials-in-coupled-electron-ion-dynamics-1311.3218"/></url>
<url><loc>https://scifaro.com/en/abs/measurement-of-the-cotton-mouton-effect-of-water-vapour-1311.3316</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurement-of-the-cotton-mouton-effect-of-water-vapour-1311.3316"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurement-of-the-cotton-mouton-effect-of-water-vapour-1311.3316"/></url>
<url><loc>https://scifaro.com/en/abs/embedding-parameters-in-ab-initio-theory-to-develop-well-controlled-approximations-based-on-molecular-similarity-1311.3440</loc><lastmod>2013-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/embedding-parameters-in-ab-initio-theory-to-develop-well-controlled-approximations-based-on-molecular-similarity-1311.3440"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/embedding-parameters-in-ab-initio-theory-to-develop-well-controlled-approximations-based-on-molecular-similarity-1311.3440"/></url>
<url><loc>https://scifaro.com/en/abs/response-calculations-based-on-an-independent-particle-system-with-the-exact-one-particle-density-matrix-polarizabilities-1311.3544</loc><lastmod>2014-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/response-calculations-based-on-an-independent-particle-system-with-the-exact-one-particle-density-matrix-polarizabilities-1311.3544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/response-calculations-based-on-an-independent-particle-system-with-the-exact-one-particle-density-matrix-polarizabilities-1311.3544"/></url>
<url><loc>https://scifaro.com/en/abs/fragment-descriptors-in-virtual-screening-1311.3723</loc><lastmod>2014-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fragment-descriptors-in-virtual-screening-1311.3723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fragment-descriptors-in-virtual-screening-1311.3723"/></url>
<url><loc>https://scifaro.com/en/abs/aging-dynamics-in-interacting-many-body-systems-1311.3790</loc><lastmod>2014-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/aging-dynamics-in-interacting-many-body-systems-1311.3790"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/aging-dynamics-in-interacting-many-body-systems-1311.3790"/></url>
<url><loc>https://scifaro.com/en/abs/high-harmonic-probing-of-electronic-coherence-in-dynamically-aligned-molecules-1311.3920</loc><lastmod>2014-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-harmonic-probing-of-electronic-coherence-in-dynamically-aligned-molecules-1311.3920"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-harmonic-probing-of-electronic-coherence-in-dynamically-aligned-molecules-1311.3920"/></url>
<url><loc>https://scifaro.com/en/abs/two-pulse-field-free-orientation-reveals-anisotropy-of-molecular-shape-resonance-1311.3923</loc><lastmod>2014-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-pulse-field-free-orientation-reveals-anisotropy-of-molecular-shape-resonance-1311.3923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-pulse-field-free-orientation-reveals-anisotropy-of-molecular-shape-resonance-1311.3923"/></url>
<url><loc>https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-1311.4000</loc><lastmod>2013-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-1311.4000"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-1311.4000"/></url>
<url><loc>https://scifaro.com/en/abs/elucidation-of-charge-storage-characteristics-of-conducting-polymer-film-using-redox-reaction-1311.4393</loc><lastmod>2013-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elucidation-of-charge-storage-characteristics-of-conducting-polymer-film-using-redox-reaction-1311.4393"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elucidation-of-charge-storage-characteristics-of-conducting-polymer-film-using-redox-reaction-1311.4393"/></url>
<url><loc>https://scifaro.com/en/abs/local-spin-density-approximation-exchange-correlation-free-energy-functional-1311.4903</loc><lastmod>2015-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-spin-density-approximation-exchange-correlation-free-energy-functional-1311.4903"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-spin-density-approximation-exchange-correlation-free-energy-functional-1311.4903"/></url>
<url><loc>https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-part-ii-numerical-solution-of-the-stationary-problem-1311.5185</loc><lastmod>2013-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-part-ii-numerical-solution-of-the-stationary-problem-1311.5185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-part-ii-numerical-solution-of-the-stationary-problem-1311.5185"/></url>
<url><loc>https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-part-iii-numerical-solution-of-the-non-stationary-problem-1311.5363</loc><lastmod>2013-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-part-iii-numerical-solution-of-the-non-stationary-problem-1311.5363"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-part-iii-numerical-solution-of-the-non-stationary-problem-1311.5363"/></url>
<url><loc>https://scifaro.com/en/abs/use-of-instrumental-neutron-activation-analysis-to-investigate-the-distribution-of-trace-elements-among-subsamples-of-solid-materials-1311.5706</loc><lastmod>2014-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/use-of-instrumental-neutron-activation-analysis-to-investigate-the-distribution-of-trace-elements-among-subsamples-of-solid-materials-1311.5706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/use-of-instrumental-neutron-activation-analysis-to-investigate-the-distribution-of-trace-elements-among-subsamples-of-solid-materials-1311.5706"/></url>
<url><loc>https://scifaro.com/en/abs/pekeris-type-approximation-for-the-l-wave-in-a-p-oschl-teller-potential-1311.5794</loc><lastmod>2013-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pekeris-type-approximation-for-the-l-wave-in-a-p-oschl-teller-potential-1311.5794"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pekeris-type-approximation-for-the-l-wave-in-a-p-oschl-teller-potential-1311.5794"/></url>
<url><loc>https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-part-iv-theory-1311.5907</loc><lastmod>2013-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-part-iv-theory-1311.5907"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathematical-model-of-a-ph-gradient-creation-at-isoelectrofocusing-part-iv-theory-1311.5907"/></url>
<url><loc>https://scifaro.com/en/abs/structure-and-dynamics-of-pf-6-p-1-2-2-4-from-molecular-dynamics-simulations-1311.6121</loc><lastmod>2013-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-and-dynamics-of-pf-6-p-1-2-2-4-from-molecular-dynamics-simulations-1311.6121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-and-dynamics-of-pf-6-p-1-2-2-4-from-molecular-dynamics-simulations-1311.6121"/></url>
<url><loc>https://scifaro.com/en/abs/how-soil-organic-matter-composition-controls-hexachlorobenzene-soil-interactions-adsorption-isotherms-and-quantum-chemical-modelling-1311.6157</loc><lastmod>2014-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-soil-organic-matter-composition-controls-hexachlorobenzene-soil-interactions-adsorption-isotherms-and-quantum-chemical-modelling-1311.6157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-soil-organic-matter-composition-controls-hexachlorobenzene-soil-interactions-adsorption-isotherms-and-quantum-chemical-modelling-1311.6157"/></url>
<url><loc>https://scifaro.com/en/abs/vibronic-speed-up-of-the-excitation-energy-transfer-in-the-fenna-matthews-olson-complex-1311.6363</loc><lastmod>2013-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibronic-speed-up-of-the-excitation-energy-transfer-in-the-fenna-matthews-olson-complex-1311.6363"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibronic-speed-up-of-the-excitation-energy-transfer-in-the-fenna-matthews-olson-complex-1311.6363"/></url>
<url><loc>https://scifaro.com/en/abs/deciphering-the-chemical-nature-of-the-exotic-isotopes-of-hydrogen-by-the-mc-qtaim-analysis-the-positively-charged-muon-and-the-muonic-helium-as-new-members-of-the-periodic-table-1311.6431</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deciphering-the-chemical-nature-of-the-exotic-isotopes-of-hydrogen-by-the-mc-qtaim-analysis-the-positively-charged-muon-and-the-muonic-helium-as-new-members-of-the-periodic-table-1311.6431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deciphering-the-chemical-nature-of-the-exotic-isotopes-of-hydrogen-by-the-mc-qtaim-analysis-the-positively-charged-muon-and-the-muonic-helium-as-new-members-of-the-periodic-table-1311.6431"/></url>
<url><loc>https://scifaro.com/en/abs/nanoscale-imaging-of-lithium-ion-distribution-during-in-situ-operation-of-battery-electrode-and-electrolyte-1311.6490</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanoscale-imaging-of-lithium-ion-distribution-during-in-situ-operation-of-battery-electrode-and-electrolyte-1311.6490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanoscale-imaging-of-lithium-ion-distribution-during-in-situ-operation-of-battery-electrode-and-electrolyte-1311.6490"/></url>
<url><loc>https://scifaro.com/en/abs/transfer-of-vibrational-coherence-through-incoherent-energy-transfer-process-in-f-o-rster-limi-1311.6623</loc><lastmod>2015-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transfer-of-vibrational-coherence-through-incoherent-energy-transfer-process-in-f-o-rster-limi-1311.6623"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transfer-of-vibrational-coherence-through-incoherent-energy-transfer-process-in-f-o-rster-limi-1311.6623"/></url>
<url><loc>https://scifaro.com/en/abs/cluster-size-distribution-in-the-autocatalytic-growth-model-1311.6705</loc><lastmod>2013-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cluster-size-distribution-in-the-autocatalytic-growth-model-1311.6705"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cluster-size-distribution-in-the-autocatalytic-growth-model-1311.6705"/></url>
<url><loc>https://scifaro.com/en/abs/local-operator-partitioning-of-electronic-energy-for-electronic-energy-transfer-an-efficient-algorithm-1311.7114</loc><lastmod>2014-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-operator-partitioning-of-electronic-energy-for-electronic-energy-transfer-an-efficient-algorithm-1311.7114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-operator-partitioning-of-electronic-energy-for-electronic-energy-transfer-an-efficient-algorithm-1311.7114"/></url>
<url><loc>https://scifaro.com/en/abs/continuous-centrifuge-decelerator-for-polar-molecules-1311.7119</loc><lastmod>2018-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuous-centrifuge-decelerator-for-polar-molecules-1311.7119"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuous-centrifuge-decelerator-for-polar-molecules-1311.7119"/></url>
<url><loc>https://scifaro.com/en/abs/the-influence-of-graphene-curvature-on-hydrogen-adsorption-towards-hydrogen-storage-devices-1311.7273</loc><lastmod>2013-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-influence-of-graphene-curvature-on-hydrogen-adsorption-towards-hydrogen-storage-devices-1311.7273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-influence-of-graphene-curvature-on-hydrogen-adsorption-towards-hydrogen-storage-devices-1311.7273"/></url>
<url><loc>https://scifaro.com/en/abs/formation-of-quasi-free-and-bubble-positronium-states-in-water-and-aqueous-solutions-1312.0168</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-of-quasi-free-and-bubble-positronium-states-in-water-and-aqueous-solutions-1312.0168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-of-quasi-free-and-bubble-positronium-states-in-water-and-aqueous-solutions-1312.0168"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-bonding-in-aqueous-ferrocyanide-experimental-and-theoretical-x-ray-spectroscopic-study-1312.0236</loc><lastmod>2013-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-bonding-in-aqueous-ferrocyanide-experimental-and-theoretical-x-ray-spectroscopic-study-1312.0236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-bonding-in-aqueous-ferrocyanide-experimental-and-theoretical-x-ray-spectroscopic-study-1312.0236"/></url>
<url><loc>https://scifaro.com/en/abs/double-hybrid-density-functional-theory-using-the-coulomb-attenuating-method-1312.0409</loc><lastmod>2014-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-hybrid-density-functional-theory-using-the-coulomb-attenuating-method-1312.0409"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-hybrid-density-functional-theory-using-the-coulomb-attenuating-method-1312.0409"/></url>
<url><loc>https://scifaro.com/en/abs/comments-on-coulomb-pairing-in-aromatic-hydrocarbons-1312.0495</loc><lastmod>2013-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comments-on-coulomb-pairing-in-aromatic-hydrocarbons-1312.0495"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comments-on-coulomb-pairing-in-aromatic-hydrocarbons-1312.0495"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-fabrication-of-brown-tio2-with-enhanced-photocatalytic-activities-under-visible-light-1312.0681</loc><lastmod>2013-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-fabrication-of-brown-tio2-with-enhanced-photocatalytic-activities-under-visible-light-1312.0681"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-fabrication-of-brown-tio2-with-enhanced-photocatalytic-activities-under-visible-light-1312.0681"/></url>
<url><loc>https://scifaro.com/en/abs/method-for-traveling-wave-deceleration-of-buffer-gas-beams-of-ch-1312.0901</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/method-for-traveling-wave-deceleration-of-buffer-gas-beams-of-ch-1312.0901"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/method-for-traveling-wave-deceleration-of-buffer-gas-beams-of-ch-1312.0901"/></url>
<url><loc>https://scifaro.com/en/abs/four-component-density-matrix-renormalization-group-1312.0970</loc><lastmod>2014-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/four-component-density-matrix-renormalization-group-1312.0970"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/four-component-density-matrix-renormalization-group-1312.0970"/></url>
<url><loc>https://scifaro.com/en/abs/mpemba-paradox-revisited-numerical-reinforcement-1312.1014</loc><lastmod>2015-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mpemba-paradox-revisited-numerical-reinforcement-1312.1014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mpemba-paradox-revisited-numerical-reinforcement-1312.1014"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-storage-with-titanium-functionalized-graphene-1312.1635</loc><lastmod>2013-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-storage-with-titanium-functionalized-graphene-1312.1635"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-storage-with-titanium-functionalized-graphene-1312.1635"/></url>
<url><loc>https://scifaro.com/en/abs/asymptotic-solution-of-the-diffusion-equation-in-slender-impermeable-tubes-of-revolution-i-the-leading-term-approximation-1312.1767</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymptotic-solution-of-the-diffusion-equation-in-slender-impermeable-tubes-of-revolution-i-the-leading-term-approximation-1312.1767"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymptotic-solution-of-the-diffusion-equation-in-slender-impermeable-tubes-of-revolution-i-the-leading-term-approximation-1312.1767"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-molecular-dynamics-without-self-consistent-field-optimization-1312.1784</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-molecular-dynamics-without-self-consistent-field-optimization-1312.1784"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-molecular-dynamics-without-self-consistent-field-optimization-1312.1784"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-investigation-of-thermodynamic-balance-between-cluster-isomers-and-statistical-model-for-predicting-isomerization-rate-1312.1785</loc><lastmod>2014-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-investigation-of-thermodynamic-balance-between-cluster-isomers-and-statistical-model-for-predicting-isomerization-rate-1312.1785"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-investigation-of-thermodynamic-balance-between-cluster-isomers-and-statistical-model-for-predicting-isomerization-rate-1312.1785"/></url>
<url><loc>https://scifaro.com/en/abs/perspective-tipping-the-scales-search-for-drifting-constants-from-molecular-spectra-1312.1875</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perspective-tipping-the-scales-search-for-drifting-constants-from-molecular-spectra-1312.1875"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perspective-tipping-the-scales-search-for-drifting-constants-from-molecular-spectra-1312.1875"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-and-potential-components-of-the-exact-time-dependent-correlation-potential-1312.1932</loc><lastmod>2014-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-and-potential-components-of-the-exact-time-dependent-correlation-potential-1312.1932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-and-potential-components-of-the-exact-time-dependent-correlation-potential-1312.1932"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-prediction-of-the-importance-of-the-3b2-state-in-the-dynamics-of-sulfur-dioxide-1312.2275</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-prediction-of-the-importance-of-the-3b2-state-in-the-dynamics-of-sulfur-dioxide-1312.2275"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-prediction-of-the-importance-of-the-3b2-state-in-the-dynamics-of-sulfur-dioxide-1312.2275"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-study-of-the-protonated-water-dimer-1312.2897</loc><lastmod>2013-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-study-of-the-protonated-water-dimer-1312.2897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-study-of-the-protonated-water-dimer-1312.2897"/></url>
<url><loc>https://scifaro.com/en/abs/the-penetration-barrier-of-water-through-graphynes-pores-first-principles-predictions-and-force-field-optimization-1312.3179</loc><lastmod>2014-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-penetration-barrier-of-water-through-graphynes-pores-first-principles-predictions-and-force-field-optimization-1312.3179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-penetration-barrier-of-water-through-graphynes-pores-first-principles-predictions-and-force-field-optimization-1312.3179"/></url>
<url><loc>https://scifaro.com/en/abs/at-what-chain-length-do-unbranched-alkanes-prefer-folded-conformations-1312.3664</loc><lastmod>2014-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/at-what-chain-length-do-unbranched-alkanes-prefer-folded-conformations-1312.3664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/at-what-chain-length-do-unbranched-alkanes-prefer-folded-conformations-1312.3664"/></url>
<url><loc>https://scifaro.com/en/abs/differentiable-but-exact-formulation-of-density-functional-theory-1312.3734</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/differentiable-but-exact-formulation-of-density-functional-theory-1312.3734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/differentiable-but-exact-formulation-of-density-functional-theory-1312.3734"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-correlation-energy-calculated-from-coupled-atomic-response-functions-1312.3806</loc><lastmod>2014-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-correlation-energy-calculated-from-coupled-atomic-response-functions-1312.3806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-correlation-energy-calculated-from-coupled-atomic-response-functions-1312.3806"/></url>
<url><loc>https://scifaro.com/en/abs/spatially-separated-polar-samples-of-the-cis-and-trans-conformers-of-3-fluorophenol-1312.4417</loc><lastmod>2014-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spatially-separated-polar-samples-of-the-cis-and-trans-conformers-of-3-fluorophenol-1312.4417"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spatially-separated-polar-samples-of-the-cis-and-trans-conformers-of-3-fluorophenol-1312.4417"/></url>
<url><loc>https://scifaro.com/en/abs/atlas-and-wavenumber-tables-for-visible-part-of-the-multiline-electronic-vibro-rotational-emission-spectrum-of-the-d-2-molecule-measured-with-moderate-resolution-in-deuterium-plasma-with-minor-hydrogen-impurity-1312.4478</loc><lastmod>2015-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atlas-and-wavenumber-tables-for-visible-part-of-the-multiline-electronic-vibro-rotational-emission-spectrum-of-the-d-2-molecule-measured-with-moderate-resolution-in-deuterium-plasma-with-minor-hydrogen-impurity-1312.4478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atlas-and-wavenumber-tables-for-visible-part-of-the-multiline-electronic-vibro-rotational-emission-spectrum-of-the-d-2-molecule-measured-with-moderate-resolution-in-deuterium-plasma-with-minor-hydrogen-impurity-1312.4478"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-role-of-ions-and-water-molecules-in-the-nacl-dissolution-process-1312.4708</loc><lastmod>2013-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-role-of-ions-and-water-molecules-in-the-nacl-dissolution-process-1312.4708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-role-of-ions-and-water-molecules-in-the-nacl-dissolution-process-1312.4708"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-molecular-dynamics-simulation-an-approach-based-on-quantum-measurement-picture-1312.4718</loc><lastmod>2014-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-molecular-dynamics-simulation-an-approach-based-on-quantum-measurement-picture-1312.4718"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-molecular-dynamics-simulation-an-approach-based-on-quantum-measurement-picture-1312.4718"/></url>
<url><loc>https://scifaro.com/en/abs/notes-on-ab-initio-investigation-of-the-crh-molecule-and-its-interaction-with-he-1312.4796</loc><lastmod>2019-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/notes-on-ab-initio-investigation-of-the-crh-molecule-and-its-interaction-with-he-1312.4796"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/notes-on-ab-initio-investigation-of-the-crh-molecule-and-its-interaction-with-he-1312.4796"/></url>
<url><loc>https://scifaro.com/en/abs/two-state-thermodynamics-of-the-st2-model-for-supercooled-water-1312.4871</loc><lastmod>2014-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-state-thermodynamics-of-the-st2-model-for-supercooled-water-1312.4871"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-state-thermodynamics-of-the-st2-model-for-supercooled-water-1312.4871"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-wells-and-the-generalized-uncertainty-principle-1312.4876</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-wells-and-the-generalized-uncertainty-principle-1312.4876"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-wells-and-the-generalized-uncertainty-principle-1312.4876"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-tunneling-states-and-the-non-debye-specific-heat-of-dipolar-glasses-1312.5065</loc><lastmod>2013-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-tunneling-states-and-the-non-debye-specific-heat-of-dipolar-glasses-1312.5065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-tunneling-states-and-the-non-debye-specific-heat-of-dipolar-glasses-1312.5065"/></url>
<url><loc>https://scifaro.com/en/abs/double-hybrid-density-functional-theory-with-meta-generalized-gradient-approximations-1312.5274</loc><lastmod>2014-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-hybrid-density-functional-theory-with-meta-generalized-gradient-approximations-1312.5274"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-hybrid-density-functional-theory-with-meta-generalized-gradient-approximations-1312.5274"/></url>
<url><loc>https://scifaro.com/en/abs/exciton-coupling-induces-vibronic-hyperchromism-in-light-harvesting-complexes-1312.5352</loc><lastmod>2014-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exciton-coupling-induces-vibronic-hyperchromism-in-light-harvesting-complexes-1312.5352"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exciton-coupling-induces-vibronic-hyperchromism-in-light-harvesting-complexes-1312.5352"/></url>
<url><loc>https://scifaro.com/en/abs/seven-competing-ways-to-recover-the-michaelis-menten-equation-reveal-the-alternative-approaches-to-steady-state-modeling-1312.5468</loc><lastmod>2022-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/seven-competing-ways-to-recover-the-michaelis-menten-equation-reveal-the-alternative-approaches-to-steady-state-modeling-1312.5468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/seven-competing-ways-to-recover-the-michaelis-menten-equation-reveal-the-alternative-approaches-to-steady-state-modeling-1312.5468"/></url>
<url><loc>https://scifaro.com/en/abs/structure-and-kinetics-of-chemically-cross-linked-protein-gels-from-small-angle-x-ray-scattering-1312.5648</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-and-kinetics-of-chemically-cross-linked-protein-gels-from-small-angle-x-ray-scattering-1312.5648"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-and-kinetics-of-chemically-cross-linked-protein-gels-from-small-angle-x-ray-scattering-1312.5648"/></url>
<url><loc>https://scifaro.com/en/abs/topology-of-surfaces-for-molecular-stark-energy-alignment-and-orientation-generated-by-combined-permanent-and-induced-electric-dipole-interactions-1312.5844</loc><lastmod>2023-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topology-of-surfaces-for-molecular-stark-energy-alignment-and-orientation-generated-by-combined-permanent-and-induced-electric-dipole-interactions-1312.5844"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topology-of-surfaces-for-molecular-stark-energy-alignment-and-orientation-generated-by-combined-permanent-and-induced-electric-dipole-interactions-1312.5844"/></url>
<url><loc>https://scifaro.com/en/abs/attractive-forces-in-microporous-carbon-electrodes-for-capacitive-deionization-1312.5997</loc><lastmod>2014-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attractive-forces-in-microporous-carbon-electrodes-for-capacitive-deionization-1312.5997"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attractive-forces-in-microporous-carbon-electrodes-for-capacitive-deionization-1312.5997"/></url>
<url><loc>https://scifaro.com/en/abs/a-self-assembled-fluoride-water-cyclic-cluster-of-f-h-2o-4-4-in-a-molecular-box-1312.6303</loc><lastmod>2013-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-self-assembled-fluoride-water-cyclic-cluster-of-f-h-2o-4-4-in-a-molecular-box-1312.6303"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-self-assembled-fluoride-water-cyclic-cluster-of-f-h-2o-4-4-in-a-molecular-box-1312.6303"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-approach-toward-transition-state-spectroscopy-1312.6345</loc><lastmod>2017-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-approach-toward-transition-state-spectroscopy-1312.6345"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-approach-toward-transition-state-spectroscopy-1312.6345"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-efficient-method-for-calculation-of-frenkel-exciton-parameters-in-molecular-aggregates-1312.6389</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-efficient-method-for-calculation-of-frenkel-exciton-parameters-in-molecular-aggregates-1312.6389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-efficient-method-for-calculation-of-frenkel-exciton-parameters-in-molecular-aggregates-1312.6389"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-in-time-dependent-density-functional-theory-insights-from-the-asymmetric-hubbard-dimer-1312.6880</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-in-time-dependent-density-functional-theory-insights-from-the-asymmetric-hubbard-dimer-1312.6880"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-in-time-dependent-density-functional-theory-insights-from-the-asymmetric-hubbard-dimer-1312.6880"/></url>
<url><loc>https://scifaro.com/en/abs/nano-spectroscopic-imaging-of-intermolecular-structure-coupling-and-dynamics-1312.7000</loc><lastmod>2013-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nano-spectroscopic-imaging-of-intermolecular-structure-coupling-and-dynamics-1312.7000"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nano-spectroscopic-imaging-of-intermolecular-structure-coupling-and-dynamics-1312.7000"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-adapted-formulation-of-the-combined-g-particle-hole-hypervirial-equation-and-hermitian-operator-method-1312.7051</loc><lastmod>2013-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-adapted-formulation-of-the-combined-g-particle-hole-hypervirial-equation-and-hermitian-operator-method-1312.7051"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-adapted-formulation-of-the-combined-g-particle-hole-hypervirial-equation-and-hermitian-operator-method-1312.7051"/></url>
<url><loc>https://scifaro.com/en/abs/uranium-critical-point-location-problem-1312.7584</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uranium-critical-point-location-problem-1312.7584"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uranium-critical-point-location-problem-1312.7584"/></url>
<url><loc>https://scifaro.com/en/abs/properties-of-high-temperature-phase-diagram-and-critical-point-parameters-in-silica-1312.7592</loc><lastmod>2013-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/properties-of-high-temperature-phase-diagram-and-critical-point-parameters-in-silica-1312.7592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/properties-of-high-temperature-phase-diagram-and-critical-point-parameters-in-silica-1312.7592"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-mathematical-approach-to-optimize-the-structure-of-reaction-diffusion-physicochemical-systems-1401.0127</loc><lastmod>2014-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-mathematical-approach-to-optimize-the-structure-of-reaction-diffusion-physicochemical-systems-1401.0127"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-mathematical-approach-to-optimize-the-structure-of-reaction-diffusion-physicochemical-systems-1401.0127"/></url>
<url><loc>https://scifaro.com/en/abs/cdenprop-transition-matrix-elements-involving-continuum-states-1401.0229</loc><lastmod>2014-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cdenprop-transition-matrix-elements-involving-continuum-states-1401.0229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cdenprop-transition-matrix-elements-involving-continuum-states-1401.0229"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-spectroscopy-of-methyl-benzoate-1401.0333</loc><lastmod>2014-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-spectroscopy-of-methyl-benzoate-1401.0333"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-spectroscopy-of-methyl-benzoate-1401.0333"/></url>
<url><loc>https://scifaro.com/en/abs/optical-control-of-cardiac-cell-excitability-based-on-two-photon-infrared-absorption-of-azotab-1401.0346</loc><lastmod>2014-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-control-of-cardiac-cell-excitability-based-on-two-photon-infrared-absorption-of-azotab-1401.0346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-control-of-cardiac-cell-excitability-based-on-two-photon-infrared-absorption-of-azotab-1401.0346"/></url>
<url><loc>https://scifaro.com/en/abs/thermally-assisted-occupation-density-functional-theory-with-generalized-gradient-approximations-1401.0380</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermally-assisted-occupation-density-functional-theory-with-generalized-gradient-approximations-1401.0380"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermally-assisted-occupation-density-functional-theory-with-generalized-gradient-approximations-1401.0380"/></url>
<url><loc>https://scifaro.com/en/abs/energy-density-functionals-from-the-strong-coupling-limit-applied-to-the-anions-of-the-he-isoelectronic-series-1401.0614</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-density-functionals-from-the-strong-coupling-limit-applied-to-the-anions-of-the-he-isoelectronic-series-1401.0614"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-density-functionals-from-the-strong-coupling-limit-applied-to-the-anions-of-the-he-isoelectronic-series-1401.0614"/></url>
<url><loc>https://scifaro.com/en/abs/uniform-electron-gases-ii-the-generalized-local-density-approximation-in-one-dimension-1401.0953</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uniform-electron-gases-ii-the-generalized-local-density-approximation-in-one-dimension-1401.0953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uniform-electron-gases-ii-the-generalized-local-density-approximation-in-one-dimension-1401.0953"/></url>
<url><loc>https://scifaro.com/en/abs/investigating-the-significance-of-zero-point-motion-in-small-molecular-clusters-of-sulphuric-acid-and-water-1401.0962</loc><lastmod>2014-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigating-the-significance-of-zero-point-motion-in-small-molecular-clusters-of-sulphuric-acid-and-water-1401.0962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigating-the-significance-of-zero-point-motion-in-small-molecular-clusters-of-sulphuric-acid-and-water-1401.0962"/></url>
<url><loc>https://scifaro.com/en/abs/a-novel-protocol-for-linearization-of-the-poisson-boltzmann-equation-1401.1018</loc><lastmod>2014-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-novel-protocol-for-linearization-of-the-poisson-boltzmann-equation-1401.1018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-novel-protocol-for-linearization-of-the-poisson-boltzmann-equation-1401.1018"/></url>
<url><loc>https://scifaro.com/en/abs/gradient-driven-molecule-construction-an-inverse-approach-applied-to-the-design-of-small-molecule-fixating-catalysts-1401.1491</loc><lastmod>2014-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gradient-driven-molecule-construction-an-inverse-approach-applied-to-the-design-of-small-molecule-fixating-catalysts-1401.1491"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gradient-driven-molecule-construction-an-inverse-approach-applied-to-the-design-of-small-molecule-fixating-catalysts-1401.1491"/></url>
<url><loc>https://scifaro.com/en/abs/inverse-quantum-chemistry-concepts-and-strategies-for-rational-compound-design-1401.1512</loc><lastmod>2014-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inverse-quantum-chemistry-concepts-and-strategies-for-rational-compound-design-1401.1512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inverse-quantum-chemistry-concepts-and-strategies-for-rational-compound-design-1401.1512"/></url>
<url><loc>https://scifaro.com/en/abs/from-building-blocks-of-proteins-to-drugs-a-quantum-chemical-study-on-structure-property-relationships-of-phenylalanine-tyrosine-and-dopa-1401.1572</loc><lastmod>2014-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-building-blocks-of-proteins-to-drugs-a-quantum-chemical-study-on-structure-property-relationships-of-phenylalanine-tyrosine-and-dopa-1401.1572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-building-blocks-of-proteins-to-drugs-a-quantum-chemical-study-on-structure-property-relationships-of-phenylalanine-tyrosine-and-dopa-1401.1572"/></url>
<url><loc>https://scifaro.com/en/abs/introduction-to-classical-density-functional-theory-by-a-computational-experiment-1401.1679</loc><lastmod>2014-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/introduction-to-classical-density-functional-theory-by-a-computational-experiment-1401.1679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/introduction-to-classical-density-functional-theory-by-a-computational-experiment-1401.1679"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-nucleation-of-water-determining-the-sticking-probability-and-formation-energy-of-a-cluster-1401.1899</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-nucleation-of-water-determining-the-sticking-probability-and-formation-energy-of-a-cluster-1401.1899"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-nucleation-of-water-determining-the-sticking-probability-and-formation-energy-of-a-cluster-1401.1899"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-of-laser-assisted-carbon-nanotube-growth-1401.2341</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-of-laser-assisted-carbon-nanotube-growth-1401.2341"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-of-laser-assisted-carbon-nanotube-growth-1401.2341"/></url>
<url><loc>https://scifaro.com/en/abs/why-lead-methylammonium-tri-iodide-perovskite-based-solar-cells-requires-a-mesoporous-electron-transporting-scaffold-but-not-necessarily-a-hole-conductor-1401.2658</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/why-lead-methylammonium-tri-iodide-perovskite-based-solar-cells-requires-a-mesoporous-electron-transporting-scaffold-but-not-necessarily-a-hole-conductor-1401.2658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/why-lead-methylammonium-tri-iodide-perovskite-based-solar-cells-requires-a-mesoporous-electron-transporting-scaffold-but-not-necessarily-a-hole-conductor-1401.2658"/></url>
<url><loc>https://scifaro.com/en/abs/multiwavelength-raman-spectroscopy-analysis-of-a-large-sampling-of-disordered-carbons-extracted-from-the-tore-supra-tokamak-1401.2740</loc><lastmod>2014-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiwavelength-raman-spectroscopy-analysis-of-a-large-sampling-of-disordered-carbons-extracted-from-the-tore-supra-tokamak-1401.2740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiwavelength-raman-spectroscopy-analysis-of-a-large-sampling-of-disordered-carbons-extracted-from-the-tore-supra-tokamak-1401.2740"/></url>
<url><loc>https://scifaro.com/en/abs/the-sugar-coarse-grained-dna-model-1401.2770</loc><lastmod>2019-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-sugar-coarse-grained-dna-model-1401.2770"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-sugar-coarse-grained-dna-model-1401.2770"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-transfer-pathways-in-excitonic-aggregates-revealed-by-the-stochastic-schr-odinger-equation-1401.3213</loc><lastmod>2014-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-transfer-pathways-in-excitonic-aggregates-revealed-by-the-stochastic-schr-odinger-equation-1401.3213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-transfer-pathways-in-excitonic-aggregates-revealed-by-the-stochastic-schr-odinger-equation-1401.3213"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-excitations-from-excited-state-hartree-fock-subsequent-minimization-scheme-1401.3271</loc><lastmod>2014-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-excitations-from-excited-state-hartree-fock-subsequent-minimization-scheme-1401.3271"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-excitations-from-excited-state-hartree-fock-subsequent-minimization-scheme-1401.3271"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-quantum-nuclear-motion-on-hydrogen-bonding-1401.3792</loc><lastmod>2014-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-quantum-nuclear-motion-on-hydrogen-bonding-1401.3792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-quantum-nuclear-motion-on-hydrogen-bonding-1401.3792"/></url>
<url><loc>https://scifaro.com/en/abs/a-carbon-corrosion-model-to-evaluate-the-effect-of-steady-state-and-transient-operation-of-a-polymer-electrolyte-membrane-fuel-cell-1401.4285</loc><lastmod>2014-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-carbon-corrosion-model-to-evaluate-the-effect-of-steady-state-and-transient-operation-of-a-polymer-electrolyte-membrane-fuel-cell-1401.4285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-carbon-corrosion-model-to-evaluate-the-effect-of-steady-state-and-transient-operation-of-a-polymer-electrolyte-membrane-fuel-cell-1401.4285"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-of-durability-of-polyelectrolyte-membrane-of-o2-h2-fuel-cell-1401.4286</loc><lastmod>2014-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-of-durability-of-polyelectrolyte-membrane-of-o2-h2-fuel-cell-1401.4286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-of-durability-of-polyelectrolyte-membrane-of-o2-h2-fuel-cell-1401.4286"/></url>
<url><loc>https://scifaro.com/en/abs/the-model-of-stress-distribution-in-polymer-electrolyte-membrane-1401.4287</loc><lastmod>2014-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-model-of-stress-distribution-in-polymer-electrolyte-membrane-1401.4287"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-model-of-stress-distribution-in-polymer-electrolyte-membrane-1401.4287"/></url>
<url><loc>https://scifaro.com/en/abs/calculations-of-gamma-ray-spectral-profiles-of-linear-alkanes-in-the-positron-annihilation-process-1401.5169</loc><lastmod>2014-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculations-of-gamma-ray-spectral-profiles-of-linear-alkanes-in-the-positron-annihilation-process-1401.5169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculations-of-gamma-ray-spectral-profiles-of-linear-alkanes-in-the-positron-annihilation-process-1401.5169"/></url>
<url><loc>https://scifaro.com/en/abs/determining-factors-for-the-accuracy-of-dmrg-in-chemistry-1401.5497</loc><lastmod>2014-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determining-factors-for-the-accuracy-of-dmrg-in-chemistry-1401.5497"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determining-factors-for-the-accuracy-of-dmrg-in-chemistry-1401.5497"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-potential-energy-dipole-moment-curves-and-lifetimes-of-vibrational-states-of-heteronuclear-alkali-dimers-1401.5532</loc><lastmod>2016-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-potential-energy-dipole-moment-curves-and-lifetimes-of-vibrational-states-of-heteronuclear-alkali-dimers-1401.5532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-potential-energy-dipole-moment-curves-and-lifetimes-of-vibrational-states-of-heteronuclear-alkali-dimers-1401.5532"/></url>
<url><loc>https://scifaro.com/en/abs/correct-quantitative-determination-of-ethanol-and-volatile-compounds-in-alcohol-products-1401.5599</loc><lastmod>2014-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correct-quantitative-determination-of-ethanol-and-volatile-compounds-in-alcohol-products-1401.5599"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correct-quantitative-determination-of-ethanol-and-volatile-compounds-in-alcohol-products-1401.5599"/></url>
<url><loc>https://scifaro.com/en/abs/multivariable-theory-of-droplet-nucleation-in-a-single-component-vapor-1401.6031</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multivariable-theory-of-droplet-nucleation-in-a-single-component-vapor-1401.6031"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multivariable-theory-of-droplet-nucleation-in-a-single-component-vapor-1401.6031"/></url>
<url><loc>https://scifaro.com/en/abs/causality-principle-in-reconstruction-of-sparse-nmr-spectra-1401.6309</loc><lastmod>2014-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/causality-principle-in-reconstruction-of-sparse-nmr-spectra-1401.6309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/causality-principle-in-reconstruction-of-sparse-nmr-spectra-1401.6309"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-reactions-of-conformationally-selected-molecules-in-a-beam-with-coulomb-crystallized-ions-1401.6347</loc><lastmod>2014-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-reactions-of-conformationally-selected-molecules-in-a-beam-with-coulomb-crystallized-ions-1401.6347"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-reactions-of-conformationally-selected-molecules-in-a-beam-with-coulomb-crystallized-ions-1401.6347"/></url>
<url><loc>https://scifaro.com/en/abs/model-reduction-for-slow-fast-stochastic-systems-with-metastable-behaviour-1401.6601</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/model-reduction-for-slow-fast-stochastic-systems-with-metastable-behaviour-1401.6601"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/model-reduction-for-slow-fast-stochastic-systems-with-metastable-behaviour-1401.6601"/></url>
<url><loc>https://scifaro.com/en/abs/compatibilization-of-hdpe-agar-biocomposites-with-eutectic-based-ionic-liquid-containing-surfactant-1401.6895</loc><lastmod>2014-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compatibilization-of-hdpe-agar-biocomposites-with-eutectic-based-ionic-liquid-containing-surfactant-1401.6895"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compatibilization-of-hdpe-agar-biocomposites-with-eutectic-based-ionic-liquid-containing-surfactant-1401.6895"/></url>
<url><loc>https://scifaro.com/en/abs/phase-transformation-dynamics-in-porous-battery-electrodes-1401.7072</loc><lastmod>2014-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-transformation-dynamics-in-porous-battery-electrodes-1401.7072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-transformation-dynamics-in-porous-battery-electrodes-1401.7072"/></url>
<url><loc>https://scifaro.com/en/abs/compact-two-electron-wave-function-for-bond-dissociation-and-van-der-waals-interactions-a-natural-amplitude-assessment-1401.7277</loc><lastmod>2014-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compact-two-electron-wave-function-for-bond-dissociation-and-van-der-waals-interactions-a-natural-amplitude-assessment-1401.7277"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compact-two-electron-wave-function-for-bond-dissociation-and-van-der-waals-interactions-a-natural-amplitude-assessment-1401.7277"/></url>
<url><loc>https://scifaro.com/en/abs/a-unified-theory-of-chemical-reactions-1401.7282</loc><lastmod>2014-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-unified-theory-of-chemical-reactions-1401.7282"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-unified-theory-of-chemical-reactions-1401.7282"/></url>
<url><loc>https://scifaro.com/en/abs/slow-and-velocity-tunable-beams-of-metastable-he-2-by-multistage-zeeman-deceleration-1401.7774</loc><lastmod>2014-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/slow-and-velocity-tunable-beams-of-metastable-he-2-by-multistage-zeeman-deceleration-1401.7774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/slow-and-velocity-tunable-beams-of-metastable-he-2-by-multistage-zeeman-deceleration-1401.7774"/></url>
<url><loc>https://scifaro.com/en/abs/exchange-correlation-functionals-from-the-strongly-interacting-limit-of-dft-applications-to-model-chemical-systems-1401.7822</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-correlation-functionals-from-the-strongly-interacting-limit-of-dft-applications-to-model-chemical-systems-1401.7822"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-correlation-functionals-from-the-strongly-interacting-limit-of-dft-applications-to-model-chemical-systems-1401.7822"/></url>
<url><loc>https://scifaro.com/en/abs/water-softening-by-single-bowl-ion-exchange-filter-efficiency-estimate-and-improvement-1401.7930</loc><lastmod>2014-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-softening-by-single-bowl-ion-exchange-filter-efficiency-estimate-and-improvement-1401.7930"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-softening-by-single-bowl-ion-exchange-filter-efficiency-estimate-and-improvement-1401.7930"/></url>
<url><loc>https://scifaro.com/en/abs/properties-of-liquid-clusters-in-large-scale-molecular-dynamics-nucleation-simulations-1401.7985</loc><lastmod>2014-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/properties-of-liquid-clusters-in-large-scale-molecular-dynamics-nucleation-simulations-1401.7985"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/properties-of-liquid-clusters-in-large-scale-molecular-dynamics-nucleation-simulations-1401.7985"/></url>
<url><loc>https://scifaro.com/en/abs/roaming-dynamics-in-ion-molecule-reactions-phase-space-reaction-pathways-and-geometrical-interpretation-1402.0012</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/roaming-dynamics-in-ion-molecule-reactions-phase-space-reaction-pathways-and-geometrical-interpretation-1402.0012"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/roaming-dynamics-in-ion-molecule-reactions-phase-space-reaction-pathways-and-geometrical-interpretation-1402.0012"/></url>
<url><loc>https://scifaro.com/en/abs/water-purification-by-shock-electrodialysis-deionization-filtration-separation-and-disinfection-1402.0058</loc><lastmod>2014-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-purification-by-shock-electrodialysis-deionization-filtration-separation-and-disinfection-1402.0058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-purification-by-shock-electrodialysis-deionization-filtration-separation-and-disinfection-1402.0058"/></url>
<url><loc>https://scifaro.com/en/abs/turbotddft-2-0-hybrid-functionals-and-new-algorithms-within-time-dependent-density-functional-perturbation-theory-1402.0486</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/turbotddft-2-0-hybrid-functionals-and-new-algorithms-within-time-dependent-density-functional-perturbation-theory-1402.0486"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/turbotddft-2-0-hybrid-functionals-and-new-algorithms-within-time-dependent-density-functional-perturbation-theory-1402.0486"/></url>
<url><loc>https://scifaro.com/en/abs/discrete-dynamics-versus-analytic-dynamics-1402.0679</loc><lastmod>2014-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/discrete-dynamics-versus-analytic-dynamics-1402.0679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/discrete-dynamics-versus-analytic-dynamics-1402.0679"/></url>
<url><loc>https://scifaro.com/en/abs/ground-and-excited-state-properties-of-the-polar-and-paramagnetic-rbsr-molecule-a-comparative-study-1402.0702</loc><lastmod>2014-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ground-and-excited-state-properties-of-the-polar-and-paramagnetic-rbsr-molecule-a-comparative-study-1402.0702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ground-and-excited-state-properties-of-the-polar-and-paramagnetic-rbsr-molecule-a-comparative-study-1402.0702"/></url>
<url><loc>https://scifaro.com/en/abs/adsorption-of-small-aromatic-molecules-on-gold-a-dft-localized-basis-set-study-including-van-der-waals-effects-1402.0730</loc><lastmod>2014-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adsorption-of-small-aromatic-molecules-on-gold-a-dft-localized-basis-set-study-including-van-der-waals-effects-1402.0730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adsorption-of-small-aromatic-molecules-on-gold-a-dft-localized-basis-set-study-including-van-der-waals-effects-1402.0730"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-classical-description-of-nuclear-motion-1402.1133</loc><lastmod>2014-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-classical-description-of-nuclear-motion-1402.1133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-classical-description-of-nuclear-motion-1402.1133"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-quantum-effects-in-liquid-water-from-path-integral-simulations-using-an-ab-initio-force-matching-approach-1402.1233</loc><lastmod>2015-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-quantum-effects-in-liquid-water-from-path-integral-simulations-using-an-ab-initio-force-matching-approach-1402.1233"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-quantum-effects-in-liquid-water-from-path-integral-simulations-using-an-ab-initio-force-matching-approach-1402.1233"/></url>
<url><loc>https://scifaro.com/en/abs/equality-of-diffusion-limited-chronoamperometric-currents-to-equal-area-spherical-and-cubic-nanoparticles-on-a-supporting-electrode-surface-1402.1319</loc><lastmod>2016-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equality-of-diffusion-limited-chronoamperometric-currents-to-equal-area-spherical-and-cubic-nanoparticles-on-a-supporting-electrode-surface-1402.1319"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equality-of-diffusion-limited-chronoamperometric-currents-to-equal-area-spherical-and-cubic-nanoparticles-on-a-supporting-electrode-surface-1402.1319"/></url>
<url><loc>https://scifaro.com/en/abs/tabletop-imaging-of-structural-evolutions-in-chemical-reactions-1402.1419</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tabletop-imaging-of-structural-evolutions-in-chemical-reactions-1402.1419"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tabletop-imaging-of-structural-evolutions-in-chemical-reactions-1402.1419"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-cooling-in-ion-exchange-membranes-1402.1448</loc><lastmod>2019-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-cooling-in-ion-exchange-membranes-1402.1448"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-cooling-in-ion-exchange-membranes-1402.1448"/></url>
<url><loc>https://scifaro.com/en/abs/challenging-adiabatic-time-dependent-density-functional-theory-with-a-hubbard-dimer-the-case-of-time-resolved-long-range-charge-transfer-1402.2213</loc><lastmod>2014-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/challenging-adiabatic-time-dependent-density-functional-theory-with-a-hubbard-dimer-the-case-of-time-resolved-long-range-charge-transfer-1402.2213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/challenging-adiabatic-time-dependent-density-functional-theory-with-a-hubbard-dimer-the-case-of-time-resolved-long-range-charge-transfer-1402.2213"/></url>
<url><loc>https://scifaro.com/en/abs/molecule-optimized-basis-sets-and-hamiltonians-for-accelerated-electronic-structure-calculations-of-atoms-and-molecules-1402.2302</loc><lastmod>2014-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecule-optimized-basis-sets-and-hamiltonians-for-accelerated-electronic-structure-calculations-of-atoms-and-molecules-1402.2302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecule-optimized-basis-sets-and-hamiltonians-for-accelerated-electronic-structure-calculations-of-atoms-and-molecules-1402.2302"/></url>
<url><loc>https://scifaro.com/en/abs/electrokinetics-of-polar-liquids-in-contact-with-non-polar-surfaces-1402.2318</loc><lastmod>2014-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrokinetics-of-polar-liquids-in-contact-with-non-polar-surfaces-1402.2318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrokinetics-of-polar-liquids-in-contact-with-non-polar-surfaces-1402.2318"/></url>
<url><loc>https://scifaro.com/en/abs/study-of-structural-properties-in-complex-fluids-by-addition-of-surfactants-using-dpd-simulation-1402.2337</loc><lastmod>2014-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-of-structural-properties-in-complex-fluids-by-addition-of-surfactants-using-dpd-simulation-1402.2337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-of-structural-properties-in-complex-fluids-by-addition-of-surfactants-using-dpd-simulation-1402.2337"/></url>
<url><loc>https://scifaro.com/en/abs/hydration-of-clays-at-the-molecular-scale-the-promising-perspective-of-classical-density-functional-theory-1402.2581</loc><lastmod>2014-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydration-of-clays-at-the-molecular-scale-the-promising-perspective-of-classical-density-functional-theory-1402.2581"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydration-of-clays-at-the-molecular-scale-the-promising-perspective-of-classical-density-functional-theory-1402.2581"/></url>
<url><loc>https://scifaro.com/en/abs/scaling-properties-in-the-adsorption-of-ionic-polymeric-surfactants-on-generic-nanoparticles-of-metallic-oxides-by-mesoscopic-simulation-1402.2661</loc><lastmod>2014-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scaling-properties-in-the-adsorption-of-ionic-polymeric-surfactants-on-generic-nanoparticles-of-metallic-oxides-by-mesoscopic-simulation-1402.2661"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scaling-properties-in-the-adsorption-of-ionic-polymeric-surfactants-on-generic-nanoparticles-of-metallic-oxides-by-mesoscopic-simulation-1402.2661"/></url>
<url><loc>https://scifaro.com/en/abs/the-combined-influence-of-nuclear-quantum-effects-and-van-der-waals-interactions-on-the-structure-of-ambient-water-1402.2697</loc><lastmod>2014-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-combined-influence-of-nuclear-quantum-effects-and-van-der-waals-interactions-on-the-structure-of-ambient-water-1402.2697"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-combined-influence-of-nuclear-quantum-effects-and-van-der-waals-interactions-on-the-structure-of-ambient-water-1402.2697"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-study-of-carbz-pahtddt-dye-sensitizer-and-two-carbz-derived-dyes-for-dye-sensitized-solar-cells-1402.2711</loc><lastmod>2014-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-study-of-carbz-pahtddt-dye-sensitizer-and-two-carbz-derived-dyes-for-dye-sensitized-solar-cells-1402.2711"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-study-of-carbz-pahtddt-dye-sensitizer-and-two-carbz-derived-dyes-for-dye-sensitized-solar-cells-1402.2711"/></url>
<url><loc>https://scifaro.com/en/abs/a-sparse-scf-algorithm-and-its-parallel-implementation-application-to-dftb-1402.2880</loc><lastmod>2016-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-sparse-scf-algorithm-and-its-parallel-implementation-application-to-dftb-1402.2880"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-sparse-scf-algorithm-and-its-parallel-implementation-application-to-dftb-1402.2880"/></url>
<url><loc>https://scifaro.com/en/abs/similarity-transformed-equation-of-motion-coupled-cluster-theory-revisited-a-benchmark-study-of-valence-excited-states-1402.3008</loc><lastmod>2018-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/similarity-transformed-equation-of-motion-coupled-cluster-theory-revisited-a-benchmark-study-of-valence-excited-states-1402.3008"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/similarity-transformed-equation-of-motion-coupled-cluster-theory-revisited-a-benchmark-study-of-valence-excited-states-1402.3008"/></url>
<url><loc>https://scifaro.com/en/abs/integer-discontinuity-of-density-functional-theory-1402.3023</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/integer-discontinuity-of-density-functional-theory-1402.3023"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/integer-discontinuity-of-density-functional-theory-1402.3023"/></url>
<url><loc>https://scifaro.com/en/abs/exact-and-approximate-kohn-sham-potentials-in-ensemble-density-functional-theory-1402.3209</loc><lastmod>2014-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-and-approximate-kohn-sham-potentials-in-ensemble-density-functional-theory-1402.3209"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-and-approximate-kohn-sham-potentials-in-ensemble-density-functional-theory-1402.3209"/></url>
<url><loc>https://scifaro.com/en/abs/unveiling-the-surface-structure-of-amorphous-solid-water-via-selective-infrared-irradiation-of-oh-stretching-modes-1402.3517</loc><lastmod>2014-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unveiling-the-surface-structure-of-amorphous-solid-water-via-selective-infrared-irradiation-of-oh-stretching-modes-1402.3517"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unveiling-the-surface-structure-of-amorphous-solid-water-via-selective-infrared-irradiation-of-oh-stretching-modes-1402.3517"/></url>
<url><loc>https://scifaro.com/en/abs/photoelectron-angular-distributions-from-aligned-molecules-using-the-r-matrix-method-1402.3853</loc><lastmod>2014-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoelectron-angular-distributions-from-aligned-molecules-using-the-r-matrix-method-1402.3853"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoelectron-angular-distributions-from-aligned-molecules-using-the-r-matrix-method-1402.3853"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-yields-from-stationary-states-cis-trans-isomerization-of-model-retinal-1402.4214</loc><lastmod>2014-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-yields-from-stationary-states-cis-trans-isomerization-of-model-retinal-1402.4214"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-yields-from-stationary-states-cis-trans-isomerization-of-model-retinal-1402.4214"/></url>
<url><loc>https://scifaro.com/en/abs/seeing-the-vibrational-breathing-of-a-single-molecule-through-time-resolved-coherent-anti-stokes-raman-scattering-1402.4904</loc><lastmod>2014-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/seeing-the-vibrational-breathing-of-a-single-molecule-through-time-resolved-coherent-anti-stokes-raman-scattering-1402.4904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/seeing-the-vibrational-breathing-of-a-single-molecule-through-time-resolved-coherent-anti-stokes-raman-scattering-1402.4904"/></url>
<url><loc>https://scifaro.com/en/abs/on-some-possible-features-of-motion-of-a-polaron-in-gyrotropic-medium-1402.4968</loc><lastmod>2014-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-some-possible-features-of-motion-of-a-polaron-in-gyrotropic-medium-1402.4968"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-some-possible-features-of-motion-of-a-polaron-in-gyrotropic-medium-1402.4968"/></url>
<url><loc>https://scifaro.com/en/abs/structural-characterization-of-ice-polymorphs-from-self-avoiding-walks-1402.5036</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-characterization-of-ice-polymorphs-from-self-avoiding-walks-1402.5036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-characterization-of-ice-polymorphs-from-self-avoiding-walks-1402.5036"/></url>
<url><loc>https://scifaro.com/en/abs/qed-correction-for-h-3-1402.5093</loc><lastmod>2014-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qed-correction-for-h-3-1402.5093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qed-correction-for-h-3-1402.5093"/></url>
<url><loc>https://scifaro.com/en/abs/ortho-para-h-2-conversion-processes-in-astrophysical-media-1402.5292</loc><lastmod>2014-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ortho-para-h-2-conversion-processes-in-astrophysical-media-1402.5292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ortho-para-h-2-conversion-processes-in-astrophysical-media-1402.5292"/></url>
<url><loc>https://scifaro.com/en/abs/excitations-and-benchmark-ensemble-density-functional-theory-for-two-electrons-1402.5444</loc><lastmod>2014-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitations-and-benchmark-ensemble-density-functional-theory-for-two-electrons-1402.5444"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitations-and-benchmark-ensemble-density-functional-theory-for-two-electrons-1402.5444"/></url>
<url><loc>https://scifaro.com/en/abs/scaling-laws-governing-the-roughness-of-the-swash-edge-line-1402.5602</loc><lastmod>2014-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scaling-laws-governing-the-roughness-of-the-swash-edge-line-1402.5602"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scaling-laws-governing-the-roughness-of-the-swash-edge-line-1402.5602"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-mechanical-nmr-simulation-algorithm-for-protein-scale-spin-systems-1402.6139</loc><lastmod>2014-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-mechanical-nmr-simulation-algorithm-for-protein-scale-spin-systems-1402.6139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-mechanical-nmr-simulation-algorithm-for-protein-scale-spin-systems-1402.6139"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-classical-alternatives-in-quantum-chemistry-1402.6268</loc><lastmod>2014-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-classical-alternatives-in-quantum-chemistry-1402.6268"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-classical-alternatives-in-quantum-chemistry-1402.6268"/></url>
<url><loc>https://scifaro.com/en/abs/mixed-quantum-classical-dynamics-from-the-exact-decomposition-of-electron-nuclear-motion-1402.6588</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixed-quantum-classical-dynamics-from-the-exact-decomposition-of-electron-nuclear-motion-1402.6588"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixed-quantum-classical-dynamics-from-the-exact-decomposition-of-electron-nuclear-motion-1402.6588"/></url>
<url><loc>https://scifaro.com/en/abs/electrodynamical-forbiddance-of-strong-quadrupole-light-molecule-interaction-in-the-methane-molecule-and-its-manifestation-in-surface-enhanced-hyper-raman-scattering-spectra-1402.6833</loc><lastmod>2014-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrodynamical-forbiddance-of-strong-quadrupole-light-molecule-interaction-in-the-methane-molecule-and-its-manifestation-in-surface-enhanced-hyper-raman-scattering-spectra-1402.6833"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrodynamical-forbiddance-of-strong-quadrupole-light-molecule-interaction-in-the-methane-molecule-and-its-manifestation-in-surface-enhanced-hyper-raman-scattering-spectra-1402.6833"/></url>
<url><loc>https://scifaro.com/en/abs/state-averaged-monte-carlo-configuration-interaction-applied-to-electronically-excited-states-1402.7281</loc><lastmod>2014-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-averaged-monte-carlo-configuration-interaction-applied-to-electronically-excited-states-1402.7281"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-averaged-monte-carlo-configuration-interaction-applied-to-electronically-excited-states-1402.7281"/></url>
<url><loc>https://scifaro.com/en/abs/characterizing-a-configuration-interaction-excited-state-using-natural-transition-geminals-1402.7284</loc><lastmod>2014-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterizing-a-configuration-interaction-excited-state-using-natural-transition-geminals-1402.7284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterizing-a-configuration-interaction-excited-state-using-natural-transition-geminals-1402.7284"/></url>
<url><loc>https://scifaro.com/en/abs/states-with-identical-steady-dissipation-rate-role-of-kinetic-constants-in-enzyme-catalysis-1403.0336</loc><lastmod>2019-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/states-with-identical-steady-dissipation-rate-role-of-kinetic-constants-in-enzyme-catalysis-1403.0336"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/states-with-identical-steady-dissipation-rate-role-of-kinetic-constants-in-enzyme-catalysis-1403.0336"/></url>
<url><loc>https://scifaro.com/en/abs/methane-oxidation-to-methanol-without-co2-emission-catalysis-by-atomic-negative-ions-1403.0597</loc><lastmod>2014-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/methane-oxidation-to-methanol-without-co2-emission-catalysis-by-atomic-negative-ions-1403.0597"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/methane-oxidation-to-methanol-without-co2-emission-catalysis-by-atomic-negative-ions-1403.0597"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-for-noncovalent-interactions-an-efficient-protocol-attaining-benchmark-accuracy-1403.0604</loc><lastmod>2016-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-for-noncovalent-interactions-an-efficient-protocol-attaining-benchmark-accuracy-1403.0604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-for-noncovalent-interactions-an-efficient-protocol-attaining-benchmark-accuracy-1403.0604"/></url>
<url><loc>https://scifaro.com/en/abs/tree-tensor-network-state-study-of-the-ionic-neutral-curve-crossing-of-lif-1403.0981</loc><lastmod>2014-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tree-tensor-network-state-study-of-the-ionic-neutral-curve-crossing-of-lif-1403.0981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tree-tensor-network-state-study-of-the-ionic-neutral-curve-crossing-of-lif-1403.0981"/></url>
<url><loc>https://scifaro.com/en/abs/the-local-structure-and-optical-absorption-characteristic-investigation-on-fe-doped-tio2-nanoparticles-1403.0995</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-local-structure-and-optical-absorption-characteristic-investigation-on-fe-doped-tio2-nanoparticles-1403.0995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-local-structure-and-optical-absorption-characteristic-investigation-on-fe-doped-tio2-nanoparticles-1403.0995"/></url>
<url><loc>https://scifaro.com/en/abs/ions-in-solution-density-corrected-density-functional-theory-dc-dft-1403.1671</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ions-in-solution-density-corrected-density-functional-theory-dc-dft-1403.1671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ions-in-solution-density-corrected-density-functional-theory-dc-dft-1403.1671"/></url>
<url><loc>https://scifaro.com/en/abs/model-for-triplet-state-engineering-in-organic-light-emitting-diodes-1403.1799</loc><lastmod>2014-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/model-for-triplet-state-engineering-in-organic-light-emitting-diodes-1403.1799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/model-for-triplet-state-engineering-in-organic-light-emitting-diodes-1403.1799"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-crossover-in-soft-colloids-below-the-overlap-concentration-1403.1812</loc><lastmod>2014-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-crossover-in-soft-colloids-below-the-overlap-concentration-1403.1812"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-crossover-in-soft-colloids-below-the-overlap-concentration-1403.1812"/></url>
<url><loc>https://scifaro.com/en/abs/phase-behavior-under-a-non-centrosymmetric-interaction-shifted-charge-colloids-investigated-by-monte-carlo-simulation-1403.1823</loc><lastmod>2014-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-behavior-under-a-non-centrosymmetric-interaction-shifted-charge-colloids-investigated-by-monte-carlo-simulation-1403.1823"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-behavior-under-a-non-centrosymmetric-interaction-shifted-charge-colloids-investigated-by-monte-carlo-simulation-1403.1823"/></url>
<url><loc>https://scifaro.com/en/abs/transient-grating-spectroscopy-of-sf6-molecular-vibrations-1403.2476</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transient-grating-spectroscopy-of-sf6-molecular-vibrations-1403.2476"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transient-grating-spectroscopy-of-sf6-molecular-vibrations-1403.2476"/></url>
<url><loc>https://scifaro.com/en/abs/properties-of-reactive-oxygen-species-by-quantum-monte-carlo-1403.2636</loc><lastmod>2014-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/properties-of-reactive-oxygen-species-by-quantum-monte-carlo-1403.2636"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/properties-of-reactive-oxygen-species-by-quantum-monte-carlo-1403.2636"/></url>
<url><loc>https://scifaro.com/en/abs/direct-observation-of-the-coherent-nuclear-response-after-the-absorption-of-a-photon-1403.3045</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-observation-of-the-coherent-nuclear-response-after-the-absorption-of-a-photon-1403.3045"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-observation-of-the-coherent-nuclear-response-after-the-absorption-of-a-photon-1403.3045"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-reactive-scattering-perspective-on-electronic-nonadiabaticity-1403.3267</loc><lastmod>2014-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-reactive-scattering-perspective-on-electronic-nonadiabaticity-1403.3267"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-reactive-scattering-perspective-on-electronic-nonadiabaticity-1403.3267"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-open-source-software-for-the-calculation-of-the-liquid-junction-potential-between-two-solutions-according-to-the-stationary-nernst-planck-equation-1403.3640</loc><lastmod>2014-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-open-source-software-for-the-calculation-of-the-liquid-junction-potential-between-two-solutions-according-to-the-stationary-nernst-planck-equation-1403.3640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-open-source-software-for-the-calculation-of-the-liquid-junction-potential-between-two-solutions-according-to-the-stationary-nernst-planck-equation-1403.3640"/></url>
<url><loc>https://scifaro.com/en/abs/field-theoretic-description-of-charge-regulation-interaction-1403.3934</loc><lastmod>2014-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/field-theoretic-description-of-charge-regulation-interaction-1403.3934"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/field-theoretic-description-of-charge-regulation-interaction-1403.3934"/></url>
<url><loc>https://scifaro.com/en/abs/proof-of-concept-of-a-zinc-silver-battery-for-the-extraction-of-energy-from-a-concentration-difference-1403.4049</loc><lastmod>2014-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proof-of-concept-of-a-zinc-silver-battery-for-the-extraction-of-energy-from-a-concentration-difference-1403.4049"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proof-of-concept-of-a-zinc-silver-battery-for-the-extraction-of-energy-from-a-concentration-difference-1403.4049"/></url>
<url><loc>https://scifaro.com/en/abs/adaptive-multiconfigurational-wave-functions-1403.4117</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adaptive-multiconfigurational-wave-functions-1403.4117"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adaptive-multiconfigurational-wave-functions-1403.4117"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-data-for-carbon-dioxide-1403.4403</loc><lastmod>2014-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-data-for-carbon-dioxide-1403.4403"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-data-for-carbon-dioxide-1403.4403"/></url>
<url><loc>https://scifaro.com/en/abs/laplacian-level-kinetic-energy-approximations-based-on-the-fourth-order-gradient-expansion-global-assessment-and-application-to-the-subsystem-formulation-of-density-functional-theory-1403.4448</loc><lastmod>2014-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laplacian-level-kinetic-energy-approximations-based-on-the-fourth-order-gradient-expansion-global-assessment-and-application-to-the-subsystem-formulation-of-density-functional-theory-1403.4448"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laplacian-level-kinetic-energy-approximations-based-on-the-fourth-order-gradient-expansion-global-assessment-and-application-to-the-subsystem-formulation-of-density-functional-theory-1403.4448"/></url>
<url><loc>https://scifaro.com/en/abs/frozen-density-embedding-with-non-integer-subsystems-particle-numbers-1403.4449</loc><lastmod>2014-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frozen-density-embedding-with-non-integer-subsystems-particle-numbers-1403.4449"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frozen-density-embedding-with-non-integer-subsystems-particle-numbers-1403.4449"/></url>
<url><loc>https://scifaro.com/en/abs/landau-zener-type-surface-hopping-algorithms-1403.4859</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/landau-zener-type-surface-hopping-algorithms-1403.4859"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/landau-zener-type-surface-hopping-algorithms-1403.4859"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-local-density-approximation-and-one-dimensional-finite-uniform-electron-gases-1403.5358</loc><lastmod>2015-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-local-density-approximation-and-one-dimensional-finite-uniform-electron-gases-1403.5358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-local-density-approximation-and-one-dimensional-finite-uniform-electron-gases-1403.5358"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-study-of-one-dimensional-transition-metal-organometallic-cluster-systems-and-their-suitability-as-spin-filters-1403.5411</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-study-of-one-dimensional-transition-metal-organometallic-cluster-systems-and-their-suitability-as-spin-filters-1403.5411"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-study-of-one-dimensional-transition-metal-organometallic-cluster-systems-and-their-suitability-as-spin-filters-1403.5411"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-and-time-resolved-photoelectron-spectroscopy-for-molecular-systems-1403.5495</loc><lastmod>2014-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-and-time-resolved-photoelectron-spectroscopy-for-molecular-systems-1403.5495"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-and-time-resolved-photoelectron-spectroscopy-for-molecular-systems-1403.5495"/></url>
<url><loc>https://scifaro.com/en/abs/optical-activity-of-oriented-molecular-systems-in-terms-of-the-magnetoelectric-tensor-of-gyrotropy-1403.5589</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-activity-of-oriented-molecular-systems-in-terms-of-the-magnetoelectric-tensor-of-gyrotropy-1403.5589"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-activity-of-oriented-molecular-systems-in-terms-of-the-magnetoelectric-tensor-of-gyrotropy-1403.5589"/></url>
<url><loc>https://scifaro.com/en/abs/new-benchmark-set-of-transition-metal-coordination-reactions-for-the-assessment-of-density-functionals-1403.5758</loc><lastmod>2014-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-benchmark-set-of-transition-metal-coordination-reactions-for-the-assessment-of-density-functionals-1403.5758"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-benchmark-set-of-transition-metal-coordination-reactions-for-the-assessment-of-density-functionals-1403.5758"/></url>
<url><loc>https://scifaro.com/en/abs/gedanken-densities-and-exact-constraints-in-density-functional-theory-1403.5832</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gedanken-densities-and-exact-constraints-in-density-functional-theory-1403.5832"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gedanken-densities-and-exact-constraints-in-density-functional-theory-1403.5832"/></url>
<url><loc>https://scifaro.com/en/abs/classical-scattering-in-strongly-attractive-potentials-1403.6000</loc><lastmod>2014-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classical-scattering-in-strongly-attractive-potentials-1403.6000"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classical-scattering-in-strongly-attractive-potentials-1403.6000"/></url>
<url><loc>https://scifaro.com/en/abs/further-perspective-on-the-theory-of-heteronuclear-decoupling-1403.6447</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/further-perspective-on-the-theory-of-heteronuclear-decoupling-1403.6447"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/further-perspective-on-the-theory-of-heteronuclear-decoupling-1403.6447"/></url>
<url><loc>https://scifaro.com/en/abs/universal-iso-density-polarizable-continuum-model-for-molecular-solvents-1403.6465</loc><lastmod>2015-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-iso-density-polarizable-continuum-model-for-molecular-solvents-1403.6465"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-iso-density-polarizable-continuum-model-for-molecular-solvents-1403.6465"/></url>
<url><loc>https://scifaro.com/en/abs/local-order-of-liquid-water-at-the-electrochemical-interface-1403.6482</loc><lastmod>2014-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-order-of-liquid-water-at-the-electrochemical-interface-1403.6482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-order-of-liquid-water-at-the-electrochemical-interface-1403.6482"/></url>
<url><loc>https://scifaro.com/en/abs/manipulation-of-the-electronic-structure-by-reversible-dehydrogenation-of-tetra-p-hydroxyphenyl-porphyrin-molecules-1403.6506</loc><lastmod>2015-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/manipulation-of-the-electronic-structure-by-reversible-dehydrogenation-of-tetra-p-hydroxyphenyl-porphyrin-molecules-1403.6506"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/manipulation-of-the-electronic-structure-by-reversible-dehydrogenation-of-tetra-p-hydroxyphenyl-porphyrin-molecules-1403.6506"/></url>
<url><loc>https://scifaro.com/en/abs/interplay-of-hydrogen-bonding-and-molecule-substrate-interaction-in-self-assembled-adlayer-structures-of-a-hydroxyphenyl-substituted-porphyrin-1403.6516</loc><lastmod>2014-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interplay-of-hydrogen-bonding-and-molecule-substrate-interaction-in-self-assembled-adlayer-structures-of-a-hydroxyphenyl-substituted-porphyrin-1403.6516"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interplay-of-hydrogen-bonding-and-molecule-substrate-interaction-in-self-assembled-adlayer-structures-of-a-hydroxyphenyl-substituted-porphyrin-1403.6516"/></url>
<url><loc>https://scifaro.com/en/abs/roaming-dynamics-in-ketene-isomerization-1403.6520</loc><lastmod>2014-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/roaming-dynamics-in-ketene-isomerization-1403.6520"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/roaming-dynamics-in-ketene-isomerization-1403.6520"/></url>
<url><loc>https://scifaro.com/en/abs/study-of-the-ne-3p-2-ch-3f-electron-transfer-reaction-below-1-kelvin-1403.6612</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-of-the-ne-3p-2-ch-3f-electron-transfer-reaction-below-1-kelvin-1403.6612"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-of-the-ne-3p-2-ch-3f-electron-transfer-reaction-below-1-kelvin-1403.6612"/></url>
<url><loc>https://scifaro.com/en/abs/toward-transferable-interatomic-van-der-waals-interactions-without-electrons-the-role-of-multipole-electrostatics-and-many-body-dispersion-1403.6645</loc><lastmod>2015-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-transferable-interatomic-van-der-waals-interactions-without-electrons-the-role-of-multipole-electrostatics-and-many-body-dispersion-1403.6645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-transferable-interatomic-van-der-waals-interactions-without-electrons-the-role-of-multipole-electrostatics-and-many-body-dispersion-1403.6645"/></url>
<url><loc>https://scifaro.com/en/abs/long-lived-quasi-stationary-coherences-in-v-type-system-driven-by-incoherent-light-1403.6816</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-lived-quasi-stationary-coherences-in-v-type-system-driven-by-incoherent-light-1403.6816"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-lived-quasi-stationary-coherences-in-v-type-system-driven-by-incoherent-light-1403.6816"/></url>
<url><loc>https://scifaro.com/en/abs/mesodynamics-with-implicit-degrees-for-freedom-1403.7228</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mesodynamics-with-implicit-degrees-for-freedom-1403.7228"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mesodynamics-with-implicit-degrees-for-freedom-1403.7228"/></url>
<url><loc>https://scifaro.com/en/abs/a-derivation-of-a-microscopic-entropy-and-time-irreversibility-from-the-discreteness-of-time-1403.7385</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-derivation-of-a-microscopic-entropy-and-time-irreversibility-from-the-discreteness-of-time-1403.7385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-derivation-of-a-microscopic-entropy-and-time-irreversibility-from-the-discreteness-of-time-1403.7385"/></url>
<url><loc>https://scifaro.com/en/abs/time-and-frequency-resolved-nanoscale-chemical-imaging-of-dimercaptostilbene-on-silver-1403.7508</loc><lastmod>2014-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-and-frequency-resolved-nanoscale-chemical-imaging-of-dimercaptostilbene-on-silver-1403.7508"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-and-frequency-resolved-nanoscale-chemical-imaging-of-dimercaptostilbene-on-silver-1403.7508"/></url>
<url><loc>https://scifaro.com/en/abs/structural-characterization-of-prvo3-epitaxial-thin-films-1403.7553</loc><lastmod>2014-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-characterization-of-prvo3-epitaxial-thin-films-1403.7553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-characterization-of-prvo3-epitaxial-thin-films-1403.7553"/></url>
<url><loc>https://scifaro.com/en/abs/in-silico-prediction-of-mutant-hiv-1-proteases-cleaving-a-target-sequence-1404.0188</loc><lastmod>2014-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-silico-prediction-of-mutant-hiv-1-proteases-cleaving-a-target-sequence-1404.0188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-silico-prediction-of-mutant-hiv-1-proteases-cleaving-a-target-sequence-1404.0188"/></url>
<url><loc>https://scifaro.com/en/abs/the-electric-double-layer-has-a-life-of-its-own-1404.0343</loc><lastmod>2014-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-electric-double-layer-has-a-life-of-its-own-1404.0343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-electric-double-layer-has-a-life-of-its-own-1404.0343"/></url>
<url><loc>https://scifaro.com/en/abs/x-ray-imaging-of-chemically-active-valence-electrons-during-a-pericyclic-reaction-1404.0356</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/x-ray-imaging-of-chemically-active-valence-electrons-during-a-pericyclic-reaction-1404.0356"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/x-ray-imaging-of-chemically-active-valence-electrons-during-a-pericyclic-reaction-1404.0356"/></url>
<url><loc>https://scifaro.com/en/abs/free-volume-investigation-of-imidazolium-ionic-liquids-from-positron-lifetime-spectroscopy-1404.0363</loc><lastmod>2014-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/free-volume-investigation-of-imidazolium-ionic-liquids-from-positron-lifetime-spectroscopy-1404.0363"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/free-volume-investigation-of-imidazolium-ionic-liquids-from-positron-lifetime-spectroscopy-1404.0363"/></url>
<url><loc>https://scifaro.com/en/abs/the-average-free-volume-model-for-liquids-1404.0435</loc><lastmod>2014-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-average-free-volume-model-for-liquids-1404.0435"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-average-free-volume-model-for-liquids-1404.0435"/></url>
<url><loc>https://scifaro.com/en/abs/global-potential-energy-surface-for-the-o2-n2-interaction-applications-to-the-collisional-spectroscopic-and-thermodynamic-properties-of-the-complex-1404.0487</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/global-potential-energy-surface-for-the-o2-n2-interaction-applications-to-the-collisional-spectroscopic-and-thermodynamic-properties-of-the-complex-1404.0487"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/global-potential-energy-surface-for-the-o2-n2-interaction-applications-to-the-collisional-spectroscopic-and-thermodynamic-properties-of-the-complex-1404.0487"/></url>
<url><loc>https://scifaro.com/en/abs/the-derivative-discontinuity-of-the-exchange-correlation-functional-1404.0902</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-derivative-discontinuity-of-the-exchange-correlation-functional-1404.0902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-derivative-discontinuity-of-the-exchange-correlation-functional-1404.0902"/></url>
<url><loc>https://scifaro.com/en/abs/membrane-less-hydrogen-bromine-flow-battery-1404.0917</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/membrane-less-hydrogen-bromine-flow-battery-1404.0917"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/membrane-less-hydrogen-bromine-flow-battery-1404.0917"/></url>
<url><loc>https://scifaro.com/en/abs/irreversible-thermodynamics-of-open-chemical-networks-i-emergent-cycles-and-broken-conservation-laws-1404.1181</loc><lastmod>2014-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/irreversible-thermodynamics-of-open-chemical-networks-i-emergent-cycles-and-broken-conservation-laws-1404.1181"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/irreversible-thermodynamics-of-open-chemical-networks-i-emergent-cycles-and-broken-conservation-laws-1404.1181"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-machine-learned-density-functionals-1404.1333</loc><lastmod>2014-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-machine-learned-density-functionals-1404.1333"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-machine-learned-density-functionals-1404.1333"/></url>
<url><loc>https://scifaro.com/en/abs/preparation-and-characterization-of-nano-particle-substituted-barium-hexaferrite-1404.1573</loc><lastmod>2014-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/preparation-and-characterization-of-nano-particle-substituted-barium-hexaferrite-1404.1573"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/preparation-and-characterization-of-nano-particle-substituted-barium-hexaferrite-1404.1573"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-energy-expressions-from-the-adiabatic-connection-fluctuation-dissipation-theorem-approach-1404.1663</loc><lastmod>2014-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-energy-expressions-from-the-adiabatic-connection-fluctuation-dissipation-theorem-approach-1404.1663"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-energy-expressions-from-the-adiabatic-connection-fluctuation-dissipation-theorem-approach-1404.1663"/></url>
<url><loc>https://scifaro.com/en/abs/supersymmetry-and-eigensurface-topology-of-the-planar-quantum-pendulum-1404.2243</loc><lastmod>2023-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/supersymmetry-and-eigensurface-topology-of-the-planar-quantum-pendulum-1404.2243"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/supersymmetry-and-eigensurface-topology-of-the-planar-quantum-pendulum-1404.2243"/></url>
<url><loc>https://scifaro.com/en/abs/maximum-tunneling-velocities-in-symmetric-double-well-potentials-1404.2244</loc><lastmod>2023-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/maximum-tunneling-velocities-in-symmetric-double-well-potentials-1404.2244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/maximum-tunneling-velocities-in-symmetric-double-well-potentials-1404.2244"/></url>
<url><loc>https://scifaro.com/en/abs/range-separated-density-functional-theory-with-random-phase-approximation-applied-to-noncovalent-intermolecular-interactions-1404.2585</loc><lastmod>2014-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/range-separated-density-functional-theory-with-random-phase-approximation-applied-to-noncovalent-intermolecular-interactions-1404.2585"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/range-separated-density-functional-theory-with-random-phase-approximation-applied-to-noncovalent-intermolecular-interactions-1404.2585"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-molecular-cooling-via-sisyphus-processes-1404.2689</loc><lastmod>2014-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-molecular-cooling-via-sisyphus-processes-1404.2689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-molecular-cooling-via-sisyphus-processes-1404.2689"/></url>
<url><loc>https://scifaro.com/en/abs/geometry-of-the-canonical-van-vleck-transformation-1404.3169</loc><lastmod>2014-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometry-of-the-canonical-van-vleck-transformation-1404.3169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometry-of-the-canonical-van-vleck-transformation-1404.3169"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-organoclay-on-compatibilization-thermal-and-mechanical-properties-of-polycarbonate-polystyrene-blends-1404.3199</loc><lastmod>2014-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-organoclay-on-compatibilization-thermal-and-mechanical-properties-of-polycarbonate-polystyrene-blends-1404.3199"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-organoclay-on-compatibilization-thermal-and-mechanical-properties-of-polycarbonate-polystyrene-blends-1404.3199"/></url>
<url><loc>https://scifaro.com/en/abs/ion-specificity-and-micellization-of-ionic-surfactants-a-monte-carlo-study-1404.3237</loc><lastmod>2014-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ion-specificity-and-micellization-of-ionic-surfactants-a-monte-carlo-study-1404.3237"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ion-specificity-and-micellization-of-ionic-surfactants-a-monte-carlo-study-1404.3237"/></url>
<url><loc>https://scifaro.com/en/abs/general-phenomenology-of-ionization-from-aligned-molecular-ensembles-1404.3559</loc><lastmod>2015-03-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-phenomenology-of-ionization-from-aligned-molecular-ensembles-1404.3559"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-phenomenology-of-ionization-from-aligned-molecular-ensembles-1404.3559"/></url>
<url><loc>https://scifaro.com/en/abs/water-and-its-relatives-the-stable-supercooled-and-particularly-the-stretched-regimes-1404.4031</loc><lastmod>2014-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-and-its-relatives-the-stable-supercooled-and-particularly-the-stretched-regimes-1404.4031"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-and-its-relatives-the-stable-supercooled-and-particularly-the-stretched-regimes-1404.4031"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulation-of-electrokinetic-flow-of-an-aqueous-electrolyte-solution-in-nanochannels-1404.4124</loc><lastmod>2014-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulation-of-electrokinetic-flow-of-an-aqueous-electrolyte-solution-in-nanochannels-1404.4124"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulation-of-electrokinetic-flow-of-an-aqueous-electrolyte-solution-in-nanochannels-1404.4124"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-geometry-and-bright-excitation-of-carotenoids-quantum-monte-carlo-and-many-body-green-s-function-theory-calculations-on-peridinin-1404.4233</loc><lastmod>2014-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-geometry-and-bright-excitation-of-carotenoids-quantum-monte-carlo-and-many-body-green-s-function-theory-calculations-on-peridinin-1404.4233"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-geometry-and-bright-excitation-of-carotenoids-quantum-monte-carlo-and-many-body-green-s-function-theory-calculations-on-peridinin-1404.4233"/></url>
<url><loc>https://scifaro.com/en/abs/the-watering-of-tall-trees-embolization-and-recovery-1404.4343</loc><lastmod>2015-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-watering-of-tall-trees-embolization-and-recovery-1404.4343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-watering-of-tall-trees-embolization-and-recovery-1404.4343"/></url>
<url><loc>https://scifaro.com/en/abs/when-do-we-need-to-account-for-the-geometric-phase-in-excited-state-dynamics-1404.4374</loc><lastmod>2015-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/when-do-we-need-to-account-for-the-geometric-phase-in-excited-state-dynamics-1404.4374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/when-do-we-need-to-account-for-the-geometric-phase-in-excited-state-dynamics-1404.4374"/></url>
<url><loc>https://scifaro.com/en/abs/action-spectroscopy-of-srcl-using-an-integrated-ion-trap-time-of-flight-mass-spectrometer-1404.4609</loc><lastmod>2018-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/action-spectroscopy-of-srcl-using-an-integrated-ion-trap-time-of-flight-mass-spectrometer-1404.4609"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/action-spectroscopy-of-srcl-using-an-integrated-ion-trap-time-of-flight-mass-spectrometer-1404.4609"/></url>
<url><loc>https://scifaro.com/en/abs/global-solutions-of-restricted-open-shell-hartree-fock-theory-from-semidefinite-programming-with-applications-to-strongly-correlated-quantum-systems-1404.5217</loc><lastmod>2014-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/global-solutions-of-restricted-open-shell-hartree-fock-theory-from-semidefinite-programming-with-applications-to-strongly-correlated-quantum-systems-1404.5217"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/global-solutions-of-restricted-open-shell-hartree-fock-theory-from-semidefinite-programming-with-applications-to-strongly-correlated-quantum-systems-1404.5217"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-pauli-conditions-on-the-spectra-of-one-electron-reduced-density-matrices-of-atoms-and-molecules-1404.5223</loc><lastmod>2014-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-pauli-conditions-on-the-spectra-of-one-electron-reduced-density-matrices-of-atoms-and-molecules-1404.5223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-pauli-conditions-on-the-spectra-of-one-electron-reduced-density-matrices-of-atoms-and-molecules-1404.5223"/></url>
<url><loc>https://scifaro.com/en/abs/comparison-of-one-dimensional-and-quasi-one-dimensional-hubbard-models-from-the-variational-two-electron-reduced-density-matrix-method-1404.5228</loc><lastmod>2016-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparison-of-one-dimensional-and-quasi-one-dimensional-hubbard-models-from-the-variational-two-electron-reduced-density-matrix-method-1404.5228"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparison-of-one-dimensional-and-quasi-one-dimensional-hubbard-models-from-the-variational-two-electron-reduced-density-matrix-method-1404.5228"/></url>
<url><loc>https://scifaro.com/en/abs/intrusion-of-liquid-electrolytes-inside-hydrophobic-mof-s-contribution-of-the-osmotic-pressure-1404.5318</loc><lastmod>2014-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrusion-of-liquid-electrolytes-inside-hydrophobic-mof-s-contribution-of-the-osmotic-pressure-1404.5318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrusion-of-liquid-electrolytes-inside-hydrophobic-mof-s-contribution-of-the-osmotic-pressure-1404.5318"/></url>
<url><loc>https://scifaro.com/en/abs/interaction-of-a-long-alkyl-chain-protic-ionic-liquid-and-water-1404.5427</loc><lastmod>2014-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interaction-of-a-long-alkyl-chain-protic-ionic-liquid-and-water-1404.5427"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interaction-of-a-long-alkyl-chain-protic-ionic-liquid-and-water-1404.5427"/></url>
<url><loc>https://scifaro.com/en/abs/unexpectedly-high-pressure-for-molecular-dissociation-in-liquid-hydrogen-by-a-reliable-electronic-simulation-1404.5471</loc><lastmod>2014-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unexpectedly-high-pressure-for-molecular-dissociation-in-liquid-hydrogen-by-a-reliable-electronic-simulation-1404.5471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unexpectedly-high-pressure-for-molecular-dissociation-in-liquid-hydrogen-by-a-reliable-electronic-simulation-1404.5471"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-transport-cross-sections-for-the-lennard-jones-potential-1404.5476</loc><lastmod>2014-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-transport-cross-sections-for-the-lennard-jones-potential-1404.5476"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-transport-cross-sections-for-the-lennard-jones-potential-1404.5476"/></url>
<url><loc>https://scifaro.com/en/abs/renormalization-of-myoglobin-ligand-binding-energetics-by-quantum-many-body-effects-1404.5547</loc><lastmod>2014-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/renormalization-of-myoglobin-ligand-binding-energetics-by-quantum-many-body-effects-1404.5547"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/renormalization-of-myoglobin-ligand-binding-energetics-by-quantum-many-body-effects-1404.5547"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-ultrafast-molecular-rotation-on-collisional-decoherence-1404.5677</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-ultrafast-molecular-rotation-on-collisional-decoherence-1404.5677"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-ultrafast-molecular-rotation-on-collisional-decoherence-1404.5677"/></url>
<url><loc>https://scifaro.com/en/abs/a-partial-differential-equation-for-pseudocontact-shift-1404.5797</loc><lastmod>2014-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-partial-differential-equation-for-pseudocontact-shift-1404.5797"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-partial-differential-equation-for-pseudocontact-shift-1404.5797"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-correction-to-configuration-interaction-singles-from-coupled-cluster-perturbation-theory-1404.5966</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-correction-to-configuration-interaction-singles-from-coupled-cluster-perturbation-theory-1404.5966"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-correction-to-configuration-interaction-singles-from-coupled-cluster-perturbation-theory-1404.5966"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-molecular-solvation-on-the-conformation-of-star-polymers-1404.6266</loc><lastmod>2014-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-molecular-solvation-on-the-conformation-of-star-polymers-1404.6266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-molecular-solvation-on-the-conformation-of-star-polymers-1404.6266"/></url>
<url><loc>https://scifaro.com/en/abs/scattering-from-star-polymers-including-excluded-volume-effects-1404.6269</loc><lastmod>2014-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scattering-from-star-polymers-including-excluded-volume-effects-1404.6269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scattering-from-star-polymers-including-excluded-volume-effects-1404.6269"/></url>
<url><loc>https://scifaro.com/en/abs/the-purple-codex-rossanensis-spectroscopic-characterization-and-first-evidence-of-the-use-of-the-elderberry-lake-in-a-6th-century-manuscript-1404.6414</loc><lastmod>2014-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-purple-codex-rossanensis-spectroscopic-characterization-and-first-evidence-of-the-use-of-the-elderberry-lake-in-a-6th-century-manuscript-1404.6414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-purple-codex-rossanensis-spectroscopic-characterization-and-first-evidence-of-the-use-of-the-elderberry-lake-in-a-6th-century-manuscript-1404.6414"/></url>
<url><loc>https://scifaro.com/en/abs/loop-closure-and-gaussian-models-of-collective-structural-characteristics-of-capped-peo-oligomers-in-water-1404.6693</loc><lastmod>2014-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/loop-closure-and-gaussian-models-of-collective-structural-characteristics-of-capped-peo-oligomers-in-water-1404.6693"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/loop-closure-and-gaussian-models-of-collective-structural-characteristics-of-capped-peo-oligomers-in-water-1404.6693"/></url>
<url><loc>https://scifaro.com/en/abs/the-power-law-reaction-rate-coefficient-for-barrierless-reactions-1404.6728</loc><lastmod>2015-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-power-law-reaction-rate-coefficient-for-barrierless-reactions-1404.6728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-power-law-reaction-rate-coefficient-for-barrierless-reactions-1404.6728"/></url>
<url><loc>https://scifaro.com/en/abs/blue-emission-in-proteins-1404.6859</loc><lastmod>2014-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/blue-emission-in-proteins-1404.6859"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/blue-emission-in-proteins-1404.6859"/></url>
<url><loc>https://scifaro.com/en/abs/the-rate-coefficients-of-unimolecular-reactions-in-the-systems-with-power-law-distributions-1404.7213</loc><lastmod>2014-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-rate-coefficients-of-unimolecular-reactions-in-the-systems-with-power-law-distributions-1404.7213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-rate-coefficients-of-unimolecular-reactions-in-the-systems-with-power-law-distributions-1404.7213"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-effects-in-the-diffusion-of-hydrogen-on-ru-0001-1404.7263</loc><lastmod>2014-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-effects-in-the-diffusion-of-hydrogen-on-ru-0001-1404.7263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-effects-in-the-diffusion-of-hydrogen-on-ru-0001-1404.7263"/></url>
<url><loc>https://scifaro.com/en/abs/study-on-the-electronic-structure-and-stability-of-some-endohedral-fullerenes-re3n-c80-re-sc-y-la-by-pm7-1404.7574</loc><lastmod>2014-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-on-the-electronic-structure-and-stability-of-some-endohedral-fullerenes-re3n-c80-re-sc-y-la-by-pm7-1404.7574"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-on-the-electronic-structure-and-stability-of-some-endohedral-fullerenes-re3n-c80-re-sc-y-la-by-pm7-1404.7574"/></url>
<url><loc>https://scifaro.com/en/abs/classical-reactive-scattering-in-a-quantum-spirit-improving-the-shape-of-rotational-state-distributions-in-the-quantum-regime-1405.0118</loc><lastmod>2014-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classical-reactive-scattering-in-a-quantum-spirit-improving-the-shape-of-rotational-state-distributions-in-the-quantum-regime-1405.0118"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classical-reactive-scattering-in-a-quantum-spirit-improving-the-shape-of-rotational-state-distributions-in-the-quantum-regime-1405.0118"/></url>
<url><loc>https://scifaro.com/en/abs/fde-vdw-a-van-der-waals-inclusive-subsystem-density-functional-theory-1405.0258</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fde-vdw-a-van-der-waals-inclusive-subsystem-density-functional-theory-1405.0258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fde-vdw-a-van-der-waals-inclusive-subsystem-density-functional-theory-1405.0258"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-of-gas-phase-ne-nh-3-and-ne-nd-3-penning-ionization-at-low-temperatures-1405.0407</loc><lastmod>2014-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-of-gas-phase-ne-nh-3-and-ne-nd-3-penning-ionization-at-low-temperatures-1405.0407"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-of-gas-phase-ne-nh-3-and-ne-nd-3-penning-ionization-at-low-temperatures-1405.0407"/></url>
<url><loc>https://scifaro.com/en/abs/the-tip-induced-twisted-bilayer-graphene-superlattice-on-hopg-capillary-attraction-effect-1405.0797</loc><lastmod>2014-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-tip-induced-twisted-bilayer-graphene-superlattice-on-hopg-capillary-attraction-effect-1405.0797"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-tip-induced-twisted-bilayer-graphene-superlattice-on-hopg-capillary-attraction-effect-1405.0797"/></url>
<url><loc>https://scifaro.com/en/abs/kohn-sham-calculations-with-the-exact-functional-1405.0864</loc><lastmod>2014-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kohn-sham-calculations-with-the-exact-functional-1405.0864"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kohn-sham-calculations-with-the-exact-functional-1405.0864"/></url>
<url><loc>https://scifaro.com/en/abs/mathematical-modeling-on-open-limestone-channel-1405.1338</loc><lastmod>2014-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathematical-modeling-on-open-limestone-channel-1405.1338"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathematical-modeling-on-open-limestone-channel-1405.1338"/></url>
<url><loc>https://scifaro.com/en/abs/a-first-principles-based-correlation-functional-for-harmonious-connection-of-short-range-correlation-and-long-range-dispersion-1405.1466</loc><lastmod>2014-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-first-principles-based-correlation-functional-for-harmonious-connection-of-short-range-correlation-and-long-range-dispersion-1405.1466"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-first-principles-based-correlation-functional-for-harmonious-connection-of-short-range-correlation-and-long-range-dispersion-1405.1466"/></url>
<url><loc>https://scifaro.com/en/abs/characteristic-time-of-crossing-a-long-free-energy-barrier-1405.1621</loc><lastmod>2014-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characteristic-time-of-crossing-a-long-free-energy-barrier-1405.1621"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characteristic-time-of-crossing-a-long-free-energy-barrier-1405.1621"/></url>
<url><loc>https://scifaro.com/en/abs/noncovalent-interactions-in-density-functional-theory-1405.1771</loc><lastmod>2014-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noncovalent-interactions-in-density-functional-theory-1405.1771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noncovalent-interactions-in-density-functional-theory-1405.1771"/></url>
<url><loc>https://scifaro.com/en/abs/a-direct-way-to-observe-absolute-molecular-handedness-1405.2015</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-direct-way-to-observe-absolute-molecular-handedness-1405.2015"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-direct-way-to-observe-absolute-molecular-handedness-1405.2015"/></url>
<url><loc>https://scifaro.com/en/abs/controlling-the-lspr-properties-of-au-triangular-nanoprisms-and-nanoboxes-by-geometrical-parameter-a-numerical-investigation-1405.2137</loc><lastmod>2014-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlling-the-lspr-properties-of-au-triangular-nanoprisms-and-nanoboxes-by-geometrical-parameter-a-numerical-investigation-1405.2137"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlling-the-lspr-properties-of-au-triangular-nanoprisms-and-nanoboxes-by-geometrical-parameter-a-numerical-investigation-1405.2137"/></url>
<url><loc>https://scifaro.com/en/abs/engine-efficiency-at-maximum-power-entropy-production-and-equilibrium-thermodynamics-1405.2273</loc><lastmod>2016-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/engine-efficiency-at-maximum-power-entropy-production-and-equilibrium-thermodynamics-1405.2273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/engine-efficiency-at-maximum-power-entropy-production-and-equilibrium-thermodynamics-1405.2273"/></url>
<url><loc>https://scifaro.com/en/abs/nonstatistical-dynamics-on-the-caldera-1405.2364</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonstatistical-dynamics-on-the-caldera-1405.2364"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonstatistical-dynamics-on-the-caldera-1405.2364"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-study-of-the-stability-of-a-carbon-nanotube-atop-a-catalytic-nanoparticle-1405.2561</loc><lastmod>2016-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-study-of-the-stability-of-a-carbon-nanotube-atop-a-catalytic-nanoparticle-1405.2561"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-study-of-the-stability-of-a-carbon-nanotube-atop-a-catalytic-nanoparticle-1405.2561"/></url>
<url><loc>https://scifaro.com/en/abs/consecuencias-geom-etricas-y-din-amicas-de-la-m-ultiple-adsorci-on-de-litio-y-otros-alcalinos-en-poliacenos-poli-parafenilenos-y-hojuelas-de-grafeno-1405.2646</loc><lastmod>2014-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/consecuencias-geom-etricas-y-din-amicas-de-la-m-ultiple-adsorci-on-de-litio-y-otros-alcalinos-en-poliacenos-poli-parafenilenos-y-hojuelas-de-grafeno-1405.2646"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/consecuencias-geom-etricas-y-din-amicas-de-la-m-ultiple-adsorci-on-de-litio-y-otros-alcalinos-en-poliacenos-poli-parafenilenos-y-hojuelas-de-grafeno-1405.2646"/></url>
<url><loc>https://scifaro.com/en/abs/ramsey-type-microwave-spectroscopy-on-co-a-3-pi-1405.2740</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ramsey-type-microwave-spectroscopy-on-co-a-3-pi-1405.2740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ramsey-type-microwave-spectroscopy-on-co-a-3-pi-1405.2740"/></url>
<url><loc>https://scifaro.com/en/abs/preparation-of-an-ultra-cold-sample-of-ammonia-molecules-for-precision-measurements-1405.2751</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/preparation-of-an-ultra-cold-sample-of-ammonia-molecules-for-precision-measurements-1405.2751"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/preparation-of-an-ultra-cold-sample-of-ammonia-molecules-for-precision-measurements-1405.2751"/></url>
<url><loc>https://scifaro.com/en/abs/formation-of-the-liquid-crystalline-phase-in-poly-di-n-hexylsilane-1405.3106</loc><lastmod>2014-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-of-the-liquid-crystalline-phase-in-poly-di-n-hexylsilane-1405.3106"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-of-the-liquid-crystalline-phase-in-poly-di-n-hexylsilane-1405.3106"/></url>
<url><loc>https://scifaro.com/en/abs/the-description-of-strong-correlation-within-self-consistent-green-s-function-second-order-perturbation-theory-1405.3273</loc><lastmod>2016-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-description-of-strong-correlation-within-self-consistent-green-s-function-second-order-perturbation-theory-1405.3273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-description-of-strong-correlation-within-self-consistent-green-s-function-second-order-perturbation-theory-1405.3273"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-freestanding-monolayer-heterostructure-of-graphene-and-hexagonal-boron-nitride-on-ir-111-with-a-chiral-boundary-1405.3357</loc><lastmod>2014-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-freestanding-monolayer-heterostructure-of-graphene-and-hexagonal-boron-nitride-on-ir-111-with-a-chiral-boundary-1405.3357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-freestanding-monolayer-heterostructure-of-graphene-and-hexagonal-boron-nitride-on-ir-111-with-a-chiral-boundary-1405.3357"/></url>
<url><loc>https://scifaro.com/en/abs/dipole-polarizability-of-alkali-metal-na-k-rb-alkaline-earth-metal-ca-sr-polar-molecules-prospects-of-alignment-1405.3503</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dipole-polarizability-of-alkali-metal-na-k-rb-alkaline-earth-metal-ca-sr-polar-molecules-prospects-of-alignment-1405.3503"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dipole-polarizability-of-alkali-metal-na-k-rb-alkaline-earth-metal-ca-sr-polar-molecules-prospects-of-alignment-1405.3503"/></url>
<url><loc>https://scifaro.com/en/abs/non-equilibrium-lyapunov-function-and-a-fluctuation-relation-for-stochastic-systems-poisson-representation-approach-1405.3617</loc><lastmod>2014-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-equilibrium-lyapunov-function-and-a-fluctuation-relation-for-stochastic-systems-poisson-representation-approach-1405.3617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-equilibrium-lyapunov-function-and-a-fluctuation-relation-for-stochastic-systems-poisson-representation-approach-1405.3617"/></url>
<url><loc>https://scifaro.com/en/abs/protein-structure-determination-using-chemical-shifts-1405.3642</loc><lastmod>2014-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/protein-structure-determination-using-chemical-shifts-1405.3642"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/protein-structure-determination-using-chemical-shifts-1405.3642"/></url>
<url><loc>https://scifaro.com/en/abs/mechanism-reduction-for-multicomponent-surrogates-a-case-study-using-toluene-reference-fuels-1405.3745</loc><lastmod>2014-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanism-reduction-for-multicomponent-surrogates-a-case-study-using-toluene-reference-fuels-1405.3745"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanism-reduction-for-multicomponent-surrogates-a-case-study-using-toluene-reference-fuels-1405.3745"/></url>
<url><loc>https://scifaro.com/en/abs/the-random-phase-approximation-applied-to-ice-1405.3977</loc><lastmod>2014-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-random-phase-approximation-applied-to-ice-1405.3977"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-random-phase-approximation-applied-to-ice-1405.3977"/></url>
<url><loc>https://scifaro.com/en/abs/interactive-chemical-reactivity-exploration-1405.4036</loc><lastmod>2014-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interactive-chemical-reactivity-exploration-1405.4036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interactive-chemical-reactivity-exploration-1405.4036"/></url>
<url><loc>https://scifaro.com/en/abs/time-frequency-and-wavevector-resolved-x-ray-diffraction-from-single-molecules-1405.4039</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-frequency-and-wavevector-resolved-x-ray-diffraction-from-single-molecules-1405.4039"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-frequency-and-wavevector-resolved-x-ray-diffraction-from-single-molecules-1405.4039"/></url>
<url><loc>https://scifaro.com/en/abs/spin-density-distribution-in-open-shell-transition-metal-systems-a-comparative-post-hartree-fock-density-functional-theory-and-quantum-monte-carlo-study-of-the-cucl2-molecule-1405.4082</loc><lastmod>2016-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-density-distribution-in-open-shell-transition-metal-systems-a-comparative-post-hartree-fock-density-functional-theory-and-quantum-monte-carlo-study-of-the-cucl2-molecule-1405.4082"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-density-distribution-in-open-shell-transition-metal-systems-a-comparative-post-hartree-fock-density-functional-theory-and-quantum-monte-carlo-study-of-the-cucl2-molecule-1405.4082"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-energy-transfer-rates-comparison-of-approximate-methods-to-the-exact-solution-1405.4156</loc><lastmod>2014-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-energy-transfer-rates-comparison-of-approximate-methods-to-the-exact-solution-1405.4156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-energy-transfer-rates-comparison-of-approximate-methods-to-the-exact-solution-1405.4156"/></url>
<url><loc>https://scifaro.com/en/abs/laboratory-studies-on-the-carbon-kinetic-isotope-effects-on-the-production-mechanism-of-particulate-phenolic-compounds-formed-by-toluene-photooxidation-a-tool-to-constrain-reaction-pathways-1405.4508</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laboratory-studies-on-the-carbon-kinetic-isotope-effects-on-the-production-mechanism-of-particulate-phenolic-compounds-formed-by-toluene-photooxidation-a-tool-to-constrain-reaction-pathways-1405.4508"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laboratory-studies-on-the-carbon-kinetic-isotope-effects-on-the-production-mechanism-of-particulate-phenolic-compounds-formed-by-toluene-photooxidation-a-tool-to-constrain-reaction-pathways-1405.4508"/></url>
<url><loc>https://scifaro.com/en/abs/a-perturbative-formalism-for-electronic-transitions-through-conical-intersections-in-a-fully-quadratic-vibronic-model-1405.4516</loc><lastmod>2015-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-perturbative-formalism-for-electronic-transitions-through-conical-intersections-in-a-fully-quadratic-vibronic-model-1405.4516"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-perturbative-formalism-for-electronic-transitions-through-conical-intersections-in-a-fully-quadratic-vibronic-model-1405.4516"/></url>
<url><loc>https://scifaro.com/en/abs/atomistic-kinetic-monte-carlo-simulations-of-polycrystalline-copper-electrodeposition-1405.4559</loc><lastmod>2014-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomistic-kinetic-monte-carlo-simulations-of-polycrystalline-copper-electrodeposition-1405.4559"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomistic-kinetic-monte-carlo-simulations-of-polycrystalline-copper-electrodeposition-1405.4559"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-liquid-water-transport-through-graphene-based-nanochannels-measured-by-isotope-labelling-1405.4722</loc><lastmod>2015-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-liquid-water-transport-through-graphene-based-nanochannels-measured-by-isotope-labelling-1405.4722"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-liquid-water-transport-through-graphene-based-nanochannels-measured-by-isotope-labelling-1405.4722"/></url>
<url><loc>https://scifaro.com/en/abs/dmrg-scf-study-of-the-singlet-triplet-and-quintet-states-of-oxo-mn-salen-1405.5642</loc><lastmod>2014-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dmrg-scf-study-of-the-singlet-triplet-and-quintet-states-of-oxo-mn-salen-1405.5642"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dmrg-scf-study-of-the-singlet-triplet-and-quintet-states-of-oxo-mn-salen-1405.5642"/></url>
<url><loc>https://scifaro.com/en/abs/applying-monte-carlo-configuration-interaction-to-transition-metal-dimers-exploring-the-balance-between-static-and-dynamic-correlation-1405.5709</loc><lastmod>2014-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/applying-monte-carlo-configuration-interaction-to-transition-metal-dimers-exploring-the-balance-between-static-and-dynamic-correlation-1405.5709"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/applying-monte-carlo-configuration-interaction-to-transition-metal-dimers-exploring-the-balance-between-static-and-dynamic-correlation-1405.5709"/></url>
<url><loc>https://scifaro.com/en/abs/a-self-interaction-free-local-hybrid-functional-accurate-binding-energies-vis-a-vis-accurate-ionization-potentials-from-kohn-sham-eigenvalues-1405.5809</loc><lastmod>2014-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-self-interaction-free-local-hybrid-functional-accurate-binding-energies-vis-a-vis-accurate-ionization-potentials-from-kohn-sham-eigenvalues-1405.5809"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-self-interaction-free-local-hybrid-functional-accurate-binding-energies-vis-a-vis-accurate-ionization-potentials-from-kohn-sham-eigenvalues-1405.5809"/></url>
<url><loc>https://scifaro.com/en/abs/fast-exploration-of-chemical-reaction-networks-1405.6610</loc><lastmod>2014-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-exploration-of-chemical-reaction-networks-1405.6610"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-exploration-of-chemical-reaction-networks-1405.6610"/></url>
<url><loc>https://scifaro.com/en/abs/concept-of-effective-states-of-atoms-in-compounds-to-describe-properties-determined-by-the-densities-of-valence-electrons-in-atomic-cores-1405.6892</loc><lastmod>2014-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/concept-of-effective-states-of-atoms-in-compounds-to-describe-properties-determined-by-the-densities-of-valence-electrons-in-atomic-cores-1405.6892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/concept-of-effective-states-of-atoms-in-compounds-to-describe-properties-determined-by-the-densities-of-valence-electrons-in-atomic-cores-1405.6892"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-methods-for-a-kohn-sham-density-functional-model-based-on-optimal-transport-1405.7026</loc><lastmod>2014-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-methods-for-a-kohn-sham-density-functional-model-based-on-optimal-transport-1405.7026"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-methods-for-a-kohn-sham-density-functional-model-based-on-optimal-transport-1405.7026"/></url>
<url><loc>https://scifaro.com/en/abs/evanescent-wave-and-open-air-chiral-sensing-via-signal-reversing-cavity-enhanced-polarimetry-1405.7060</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evanescent-wave-and-open-air-chiral-sensing-via-signal-reversing-cavity-enhanced-polarimetry-1405.7060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evanescent-wave-and-open-air-chiral-sensing-via-signal-reversing-cavity-enhanced-polarimetry-1405.7060"/></url>
<url><loc>https://scifaro.com/en/abs/an-ab-initio-approach-to-free-energy-reconstruction-using-logarithmic-mean-force-dynamics-1405.7185</loc><lastmod>2014-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-ab-initio-approach-to-free-energy-reconstruction-using-logarithmic-mean-force-dynamics-1405.7185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-ab-initio-approach-to-free-energy-reconstruction-using-logarithmic-mean-force-dynamics-1405.7185"/></url>
<url><loc>https://scifaro.com/en/abs/pseudo-5d-hn-c-n-experiment-to-facilitate-the-assignment-of-backbone-resonances-in-proteins-exhibiting-high-backbone-shift-degeneracy-1405.7235</loc><lastmod>2016-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pseudo-5d-hn-c-n-experiment-to-facilitate-the-assignment-of-backbone-resonances-in-proteins-exhibiting-high-backbone-shift-degeneracy-1405.7235"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pseudo-5d-hn-c-n-experiment-to-facilitate-the-assignment-of-backbone-resonances-in-proteins-exhibiting-high-backbone-shift-degeneracy-1405.7235"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-classical-description-of-molecular-dynamics-based-on-egorov-s-theorem-1405.7355</loc><lastmod>2014-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-classical-description-of-molecular-dynamics-based-on-egorov-s-theorem-1405.7355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-classical-description-of-molecular-dynamics-based-on-egorov-s-theorem-1405.7355"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-fluctuations-and-isotope-effects-in-ab-initio-descriptions-of-water-1405.7366</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-fluctuations-and-isotope-effects-in-ab-initio-descriptions-of-water-1405.7366"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-fluctuations-and-isotope-effects-in-ab-initio-descriptions-of-water-1405.7366"/></url>
<url><loc>https://scifaro.com/en/abs/neutron-activation-analysis-of-the-30si-content-of-highly-enriched-28si-proof-of-concept-and-estimation-of-the-achievable-uncertainty-1405.7524</loc><lastmod>2014-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neutron-activation-analysis-of-the-30si-content-of-highly-enriched-28si-proof-of-concept-and-estimation-of-the-achievable-uncertainty-1405.7524"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neutron-activation-analysis-of-the-30si-content-of-highly-enriched-28si-proof-of-concept-and-estimation-of-the-achievable-uncertainty-1405.7524"/></url>
<url><loc>https://scifaro.com/en/abs/monte-carlo-simulations-of-the-critical-properties-of-a-ziff-gulari-barshad-model-of-catalytic-co-oxidation-with-long-range-reactivity-1405.7906</loc><lastmod>2015-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monte-carlo-simulations-of-the-critical-properties-of-a-ziff-gulari-barshad-model-of-catalytic-co-oxidation-with-long-range-reactivity-1405.7906"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monte-carlo-simulations-of-the-critical-properties-of-a-ziff-gulari-barshad-model-of-catalytic-co-oxidation-with-long-range-reactivity-1405.7906"/></url>
<url><loc>https://scifaro.com/en/abs/a-driven-similarity-renormalization-group-approach-to-quantum-many-body-problems-1406.0114</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-driven-similarity-renormalization-group-approach-to-quantum-many-body-problems-1406.0114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-driven-similarity-renormalization-group-approach-to-quantum-many-body-problems-1406.0114"/></url>
<url><loc>https://scifaro.com/en/abs/diffusion-rates-for-hydrogen-on-pd-111-from-molecular-quantum-dynamics-calculations-1406.0952</loc><lastmod>2020-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffusion-rates-for-hydrogen-on-pd-111-from-molecular-quantum-dynamics-calculations-1406.0952"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffusion-rates-for-hydrogen-on-pd-111-from-molecular-quantum-dynamics-calculations-1406.0952"/></url>
<url><loc>https://scifaro.com/en/abs/relaxation-and-fluctuation-dynamics-in-coherent-two-dimensional-electronic-spectra-1406.0984</loc><lastmod>2014-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relaxation-and-fluctuation-dynamics-in-coherent-two-dimensional-electronic-spectra-1406.0984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relaxation-and-fluctuation-dynamics-in-coherent-two-dimensional-electronic-spectra-1406.0984"/></url>
<url><loc>https://scifaro.com/en/abs/how-to-remove-the-spurious-resonances-from-ring-polymer-molecular-dynamics-1406.1074</loc><lastmod>2014-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-to-remove-the-spurious-resonances-from-ring-polymer-molecular-dynamics-1406.1074"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-to-remove-the-spurious-resonances-from-ring-polymer-molecular-dynamics-1406.1074"/></url>
<url><loc>https://scifaro.com/en/abs/chemistry-in-one-dimension-1406.1343</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemistry-in-one-dimension-1406.1343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemistry-in-one-dimension-1406.1343"/></url>
<url><loc>https://scifaro.com/en/abs/mcmillan-mayer-theory-of-solutions-revisited-simplifications-and-extensions-1406.1523</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mcmillan-mayer-theory-of-solutions-revisited-simplifications-and-extensions-1406.1523"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mcmillan-mayer-theory-of-solutions-revisited-simplifications-and-extensions-1406.1523"/></url>
<url><loc>https://scifaro.com/en/abs/eigensolution-techniques-their-applications-and-the-fisher-s-information-entropy-of-tietz-wei-diatomic-molecular-model-1406.1716</loc><lastmod>2014-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eigensolution-techniques-their-applications-and-the-fisher-s-information-entropy-of-tietz-wei-diatomic-molecular-model-1406.1716"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eigensolution-techniques-their-applications-and-the-fisher-s-information-entropy-of-tietz-wei-diatomic-molecular-model-1406.1716"/></url>
<url><loc>https://scifaro.com/en/abs/electron-correlation-in-solids-via-density-embedding-theory-1406.2034</loc><lastmod>2016-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-correlation-in-solids-via-density-embedding-theory-1406.2034"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-correlation-in-solids-via-density-embedding-theory-1406.2034"/></url>
<url><loc>https://scifaro.com/en/abs/holomorphic-hartree-fock-theory-and-configuration-interaction-1406.2457</loc><lastmod>2016-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/holomorphic-hartree-fock-theory-and-configuration-interaction-1406.2457"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/holomorphic-hartree-fock-theory-and-configuration-interaction-1406.2457"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-spin-rotational-dynamics-of-oxygen-super-rotors-1406.2668</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-spin-rotational-dynamics-of-oxygen-super-rotors-1406.2668"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-spin-rotational-dynamics-of-oxygen-super-rotors-1406.2668"/></url>
<url><loc>https://scifaro.com/en/abs/embedded-fragment-stochastic-density-functional-theory-1406.2782</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/embedded-fragment-stochastic-density-functional-theory-1406.2782"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/embedded-fragment-stochastic-density-functional-theory-1406.2782"/></url>
<url><loc>https://scifaro.com/en/abs/non-oscillatory-flux-correlation-functions-for-efficient-nonadiabatic-rate-theory-1406.3144</loc><lastmod>2014-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-oscillatory-flux-correlation-functions-for-efficient-nonadiabatic-rate-theory-1406.3144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-oscillatory-flux-correlation-functions-for-efficient-nonadiabatic-rate-theory-1406.3144"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-dynamics-identifying-degrees-of-freedom-essential-for-emission-spectra-of-oligothiophenes-1406.3222</loc><lastmod>2014-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-dynamics-identifying-degrees-of-freedom-essential-for-emission-spectra-of-oligothiophenes-1406.3222"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-dynamics-identifying-degrees-of-freedom-essential-for-emission-spectra-of-oligothiophenes-1406.3222"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-quantization-of-nonadiabatic-systems-with-hopping-periodic-orbits-1406.3769</loc><lastmod>2015-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-quantization-of-nonadiabatic-systems-with-hopping-periodic-orbits-1406.3769"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-quantization-of-nonadiabatic-systems-with-hopping-periodic-orbits-1406.3769"/></url>
<url><loc>https://scifaro.com/en/abs/electric-transition-dipole-moment-in-pre-born-oppenheimer-molecular-structure-theory-1406.3785</loc><lastmod>2014-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electric-transition-dipole-moment-in-pre-born-oppenheimer-molecular-structure-theory-1406.3785"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electric-transition-dipole-moment-in-pre-born-oppenheimer-molecular-structure-theory-1406.3785"/></url>
<url><loc>https://scifaro.com/en/abs/signatures-of-classical-bifurcations-in-the-quantum-scattering-resonances-of-dissociating-molecules-1406.3825</loc><lastmod>2016-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/signatures-of-classical-bifurcations-in-the-quantum-scattering-resonances-of-dissociating-molecules-1406.3825"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/signatures-of-classical-bifurcations-in-the-quantum-scattering-resonances-of-dissociating-molecules-1406.3825"/></url>
<url><loc>https://scifaro.com/en/abs/static-and-dynamical-correlation-in-diradical-molecules-by-quantum-monte-carlo-using-the-jastrow-antisymmetrized-geminal-power-ansatz-1406.4330</loc><lastmod>2014-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/static-and-dynamical-correlation-in-diradical-molecules-by-quantum-monte-carlo-using-the-jastrow-antisymmetrized-geminal-power-ansatz-1406.4330"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/static-and-dynamical-correlation-in-diradical-molecules-by-quantum-monte-carlo-using-the-jastrow-antisymmetrized-geminal-power-ansatz-1406.4330"/></url>
<url><loc>https://scifaro.com/en/abs/the-exact-forces-on-classical-nuclei-in-non-adiabatic-charge-transfer-1406.4667</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-exact-forces-on-classical-nuclei-in-non-adiabatic-charge-transfer-1406.4667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-exact-forces-on-classical-nuclei-in-non-adiabatic-charge-transfer-1406.4667"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-the-performance-of-the-entropic-splitter-for-particle-separation-1406.4708</loc><lastmod>2014-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-the-performance-of-the-entropic-splitter-for-particle-separation-1406.4708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-the-performance-of-the-entropic-splitter-for-particle-separation-1406.4708"/></url>
<url><loc>https://scifaro.com/en/abs/classical-nuclear-motion-coupled-to-electronic-non-adiabatic-transitions-1406.5126</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classical-nuclear-motion-coupled-to-electronic-non-adiabatic-transitions-1406.5126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classical-nuclear-motion-coupled-to-electronic-non-adiabatic-transitions-1406.5126"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-statistical-mechanics-iv-non-equilibrium-probability-operator-and-stochastic-dissipative-schrodinger-equation-1406.5270</loc><lastmod>2014-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-statistical-mechanics-iv-non-equilibrium-probability-operator-and-stochastic-dissipative-schrodinger-equation-1406.5270"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-statistical-mechanics-iv-non-equilibrium-probability-operator-and-stochastic-dissipative-schrodinger-equation-1406.5270"/></url>
<url><loc>https://scifaro.com/en/abs/organic-light-emitting-diodes-using-open-shell-molecule-as-emitter-the-emission-from-doublet-1406.5285</loc><lastmod>2014-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/organic-light-emitting-diodes-using-open-shell-molecule-as-emitter-the-emission-from-doublet-1406.5285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/organic-light-emitting-diodes-using-open-shell-molecule-as-emitter-the-emission-from-doublet-1406.5285"/></url>
<url><loc>https://scifaro.com/en/abs/critical-charge-of-a-system-with-one-electron-and-five-or-six-charged-centers-1406.5497</loc><lastmod>2015-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/critical-charge-of-a-system-with-one-electron-and-five-or-six-charged-centers-1406.5497"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/critical-charge-of-a-system-with-one-electron-and-five-or-six-charged-centers-1406.5497"/></url>
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<url><loc>https://scifaro.com/en/abs/configurational-entropy-of-hydrogen-disordered-ice-polymorphs-1406.5929</loc><lastmod>2014-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/configurational-entropy-of-hydrogen-disordered-ice-polymorphs-1406.5929"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/configurational-entropy-of-hydrogen-disordered-ice-polymorphs-1406.5929"/></url>
<url><loc>https://scifaro.com/en/abs/comprehensive-verification-of-new-method-ethanol-as-internal-standard-for-determination-of-volatile-compounds-in-alcohol-products-by-gas-chromatography-1406.6358</loc><lastmod>2014-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comprehensive-verification-of-new-method-ethanol-as-internal-standard-for-determination-of-volatile-compounds-in-alcohol-products-by-gas-chromatography-1406.6358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comprehensive-verification-of-new-method-ethanol-as-internal-standard-for-determination-of-volatile-compounds-in-alcohol-products-by-gas-chromatography-1406.6358"/></url>
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<url><loc>https://scifaro.com/en/abs/cooee-bitumen-ii-stability-of-linear-asphaltene-nanoaggregates-1406.7592</loc><lastmod>2017-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cooee-bitumen-ii-stability-of-linear-asphaltene-nanoaggregates-1406.7592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cooee-bitumen-ii-stability-of-linear-asphaltene-nanoaggregates-1406.7592"/></url>
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<url><loc>https://scifaro.com/en/abs/the-power-law-tst-reaction-rate-coefficient-with-tunneling-correction-1407.0012</loc><lastmod>2015-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-power-law-tst-reaction-rate-coefficient-with-tunneling-correction-1407.0012"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-power-law-tst-reaction-rate-coefficient-with-tunneling-correction-1407.0012"/></url>
<url><loc>https://scifaro.com/en/abs/double-hybrid-density-functional-theory-applied-to-molecular-crystals-1407.1011</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-hybrid-density-functional-theory-applied-to-molecular-crystals-1407.1011"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-hybrid-density-functional-theory-applied-to-molecular-crystals-1407.1011"/></url>
<url><loc>https://scifaro.com/en/abs/transition-properties-from-the-hermitian-formulation-of-the-coupled-cluster-polarization-propagator-1407.1102</loc><lastmod>2014-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-properties-from-the-hermitian-formulation-of-the-coupled-cluster-polarization-propagator-1407.1102"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-properties-from-the-hermitian-formulation-of-the-coupled-cluster-polarization-propagator-1407.1102"/></url>
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<url><loc>https://scifaro.com/en/abs/learning-from-history-non-markovian-analyses-of-complex-trajectories-for-extracting-long-time-behavior-1407.1354</loc><lastmod>2014-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-from-history-non-markovian-analyses-of-complex-trajectories-for-extracting-long-time-behavior-1407.1354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-from-history-non-markovian-analyses-of-complex-trajectories-for-extracting-long-time-behavior-1407.1354"/></url>
<url><loc>https://scifaro.com/en/abs/voltammetry-at-porous-electrodes-a-theoretical-study-1407.1722</loc><lastmod>2014-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/voltammetry-at-porous-electrodes-a-theoretical-study-1407.1722"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/voltammetry-at-porous-electrodes-a-theoretical-study-1407.1722"/></url>
<url><loc>https://scifaro.com/en/abs/structural-study-of-monolayer-cobalt-phthalocyanine-adsorbed-on-graphite-1407.1728</loc><lastmod>2014-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-study-of-monolayer-cobalt-phthalocyanine-adsorbed-on-graphite-1407.1728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-study-of-monolayer-cobalt-phthalocyanine-adsorbed-on-graphite-1407.1728"/></url>
<url><loc>https://scifaro.com/en/abs/minimising-biases-in-full-configuration-interaction-quantum-monte-carlo-1407.1753</loc><lastmod>2015-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/minimising-biases-in-full-configuration-interaction-quantum-monte-carlo-1407.1753"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/minimising-biases-in-full-configuration-interaction-quantum-monte-carlo-1407.1753"/></url>
<url><loc>https://scifaro.com/en/abs/wave-function-and-density-functional-theory-studies-of-dihydrogen-complexes-1407.1998</loc><lastmod>2015-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wave-function-and-density-functional-theory-studies-of-dihydrogen-complexes-1407.1998"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wave-function-and-density-functional-theory-studies-of-dihydrogen-complexes-1407.1998"/></url>
<url><loc>https://scifaro.com/en/abs/the-density-matrix-renormalization-group-for-ab-initio-quantum-chemistry-1407.2040</loc><lastmod>2014-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-density-matrix-renormalization-group-for-ab-initio-quantum-chemistry-1407.2040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-density-matrix-renormalization-group-for-ab-initio-quantum-chemistry-1407.2040"/></url>
<url><loc>https://scifaro.com/en/abs/separating-para-and-ortho-water-1407.2056</loc><lastmod>2017-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/separating-para-and-ortho-water-1407.2056"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/separating-para-and-ortho-water-1407.2056"/></url>
<url><loc>https://scifaro.com/en/abs/an-improved-semiclassical-theory-of-radical-pair-recombination-reactions-1407.2139</loc><lastmod>2014-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-improved-semiclassical-theory-of-radical-pair-recombination-reactions-1407.2139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-improved-semiclassical-theory-of-radical-pair-recombination-reactions-1407.2139"/></url>
<url><loc>https://scifaro.com/en/abs/asymmetric-recombination-and-electron-spin-relaxation-in-the-semiclassical-theory-of-radical-pair-reactions-1407.2162</loc><lastmod>2014-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymmetric-recombination-and-electron-spin-relaxation-in-the-semiclassical-theory-of-radical-pair-reactions-1407.2162"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymmetric-recombination-and-electron-spin-relaxation-in-the-semiclassical-theory-of-radical-pair-reactions-1407.2162"/></url>
<url><loc>https://scifaro.com/en/abs/topological-and-aim-analyses-beyond-the-born-oppenheimer-paradigm-new-opportunities-1407.2189</loc><lastmod>2015-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topological-and-aim-analyses-beyond-the-born-oppenheimer-paradigm-new-opportunities-1407.2189"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topological-and-aim-analyses-beyond-the-born-oppenheimer-paradigm-new-opportunities-1407.2189"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-model-for-calculating-the-binding-energy-of-lithium-nucleus-under-the-generalized-yukawa-potential-and-hellmann-potential-1407.2200</loc><lastmod>2014-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-model-for-calculating-the-binding-energy-of-lithium-nucleus-under-the-generalized-yukawa-potential-and-hellmann-potential-1407.2200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-model-for-calculating-the-binding-energy-of-lithium-nucleus-under-the-generalized-yukawa-potential-and-hellmann-potential-1407.2200"/></url>
<url><loc>https://scifaro.com/en/abs/dft-studies-of-indium-nanoclusters-inn-where-n-3-10-and-nanotube-and-their-interaction-with-molecular-hydrogen-1407.2236</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dft-studies-of-indium-nanoclusters-inn-where-n-3-10-and-nanotube-and-their-interaction-with-molecular-hydrogen-1407.2236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dft-studies-of-indium-nanoclusters-inn-where-n-3-10-and-nanotube-and-their-interaction-with-molecular-hydrogen-1407.2236"/></url>
<url><loc>https://scifaro.com/en/abs/kohn-sham-potentials-in-exact-density-functional-theory-at-non-integer-electron-numbers-1407.2707</loc><lastmod>2014-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kohn-sham-potentials-in-exact-density-functional-theory-at-non-integer-electron-numbers-1407.2707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kohn-sham-potentials-in-exact-density-functional-theory-at-non-integer-electron-numbers-1407.2707"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-reactive-scattering-of-o-3-p-h-2-at-collision-energies-up-to-4-4-ev-1407.3325</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-reactive-scattering-of-o-3-p-h-2-at-collision-energies-up-to-4-4-ev-1407.3325"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-reactive-scattering-of-o-3-p-h-2-at-collision-energies-up-to-4-4-ev-1407.3325"/></url>
<url><loc>https://scifaro.com/en/abs/a-diabatic-state-model-for-double-proton-transfer-in-hydrogen-bonded-complexes-1407.3536</loc><lastmod>2014-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-diabatic-state-model-for-double-proton-transfer-in-hydrogen-bonded-complexes-1407.3536"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-diabatic-state-model-for-double-proton-transfer-in-hydrogen-bonded-complexes-1407.3536"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-the-born-oppenheimer-approximation-with-quantum-monte-carlo-1407.3788</loc><lastmod>2014-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-the-born-oppenheimer-approximation-with-quantum-monte-carlo-1407.3788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-the-born-oppenheimer-approximation-with-quantum-monte-carlo-1407.3788"/></url>
<url><loc>https://scifaro.com/en/abs/weighted-density-functionals-for-cavity-formation-and-dispersion-energies-in-continuum-solvation-models-1407.4011</loc><lastmod>2014-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/weighted-density-functionals-for-cavity-formation-and-dispersion-energies-in-continuum-solvation-models-1407.4011"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/weighted-density-functionals-for-cavity-formation-and-dispersion-energies-in-continuum-solvation-models-1407.4011"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-of-final-degassing-of-hydrogen-desorption-by-metal-hydrides-1407.4340</loc><lastmod>2014-07-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-of-final-degassing-of-hydrogen-desorption-by-metal-hydrides-1407.4340"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-of-final-degassing-of-hydrogen-desorption-by-metal-hydrides-1407.4340"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-specific-surface-area-of-powder-on-hydrogen-desorption-kinetics-for-metal-hydrides-1407.4397</loc><lastmod>2014-07-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-specific-surface-area-of-powder-on-hydrogen-desorption-kinetics-for-metal-hydrides-1407.4397"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-specific-surface-area-of-powder-on-hydrogen-desorption-kinetics-for-metal-hydrides-1407.4397"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-product-distributions-for-ultracold-reactions-in-external-fields-1407.4502</loc><lastmod>2014-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-product-distributions-for-ultracold-reactions-in-external-fields-1407.4502"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-product-distributions-for-ultracold-reactions-in-external-fields-1407.4502"/></url>
<url><loc>https://scifaro.com/en/abs/a-model-of-hydrogen-desorption-kinetics-controlled-both-by-interface-and-surface-reactions-for-metal-hydrides-1407.4510</loc><lastmod>2014-07-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-model-of-hydrogen-desorption-kinetics-controlled-both-by-interface-and-surface-reactions-for-metal-hydrides-1407.4510"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-model-of-hydrogen-desorption-kinetics-controlled-both-by-interface-and-surface-reactions-for-metal-hydrides-1407.4510"/></url>
<url><loc>https://scifaro.com/en/abs/host-guest-interactions-in-exbox4-1407.4565</loc><lastmod>2014-07-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/host-guest-interactions-in-exbox4-1407.4565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/host-guest-interactions-in-exbox4-1407.4565"/></url>
<url><loc>https://scifaro.com/en/abs/certification-and-the-potential-energy-landscape-1407.4762</loc><lastmod>2014-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/certification-and-the-potential-energy-landscape-1407.4762"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/certification-and-the-potential-energy-landscape-1407.4762"/></url>
<url><loc>https://scifaro.com/en/abs/slow-continuous-beams-of-large-gas-phase-molecules-1407.4823</loc><lastmod>2014-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/slow-continuous-beams-of-large-gas-phase-molecules-1407.4823"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/slow-continuous-beams-of-large-gas-phase-molecules-1407.4823"/></url>
<url><loc>https://scifaro.com/en/abs/study-on-the-electronic-structure-and-stability-of-some-ope-oligo-phenylene-ethynylene-derivative-re3n-c80-dyads-by-pm7-1407.4828</loc><lastmod>2014-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-on-the-electronic-structure-and-stability-of-some-ope-oligo-phenylene-ethynylene-derivative-re3n-c80-dyads-by-pm7-1407.4828"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-on-the-electronic-structure-and-stability-of-some-ope-oligo-phenylene-ethynylene-derivative-re3n-c80-dyads-by-pm7-1407.4828"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-from-an-adsorbed-ruthenium-based-photosensitizer-through-an-ultra-thin-aluminium-oxide-layer-and-into-a-metallic-substrate-1407.5186</loc><lastmod>2014-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-from-an-adsorbed-ruthenium-based-photosensitizer-through-an-ultra-thin-aluminium-oxide-layer-and-into-a-metallic-substrate-1407.5186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-from-an-adsorbed-ruthenium-based-photosensitizer-through-an-ultra-thin-aluminium-oxide-layer-and-into-a-metallic-substrate-1407.5186"/></url>
<url><loc>https://scifaro.com/en/abs/simple-formula-for-marcus-hush-chidsey-kinetics-1407.5370</loc><lastmod>2014-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-formula-for-marcus-hush-chidsey-kinetics-1407.5370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-formula-for-marcus-hush-chidsey-kinetics-1407.5370"/></url>
<url><loc>https://scifaro.com/en/abs/canonical-ensemble-sa-casscf-strategy-for-problems-with-more-diabatic-than-adiabatic-states-charge-bond-resonance-in-monomethine-cyanines-1407.6063</loc><lastmod>2014-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/canonical-ensemble-sa-casscf-strategy-for-problems-with-more-diabatic-than-adiabatic-states-charge-bond-resonance-in-monomethine-cyanines-1407.6063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/canonical-ensemble-sa-casscf-strategy-for-problems-with-more-diabatic-than-adiabatic-states-charge-bond-resonance-in-monomethine-cyanines-1407.6063"/></url>
<url><loc>https://scifaro.com/en/abs/multi-channel-electronic-and-vibrational-dynamics-in-polyatomic-high-order-harmonic-generation-1407.6213</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-channel-electronic-and-vibrational-dynamics-in-polyatomic-high-order-harmonic-generation-1407.6213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-channel-electronic-and-vibrational-dynamics-in-polyatomic-high-order-harmonic-generation-1407.6213"/></url>
<url><loc>https://scifaro.com/en/abs/local-reduced-density-matrix-functional-theory-incorporating-static-correlation-effects-in-kohn-sham-equations-1407.7128</loc><lastmod>2014-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-reduced-density-matrix-functional-theory-incorporating-static-correlation-effects-in-kohn-sham-equations-1407.7128"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-reduced-density-matrix-functional-theory-incorporating-static-correlation-effects-in-kohn-sham-equations-1407.7128"/></url>
<url><loc>https://scifaro.com/en/abs/accelerated-weight-histogram-method-for-exploring-free-energy-landscapes-1407.7415</loc><lastmod>2014-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerated-weight-histogram-method-for-exploring-free-energy-landscapes-1407.7415"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerated-weight-histogram-method-for-exploring-free-energy-landscapes-1407.7415"/></url>
<url><loc>https://scifaro.com/en/abs/position-dependent-and-pair-diffusivity-profiles-from-steady-state-solutions-of-color-reaction-counterdiffusion-problems-1407.7709</loc><lastmod>2014-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/position-dependent-and-pair-diffusivity-profiles-from-steady-state-solutions-of-color-reaction-counterdiffusion-problems-1407.7709"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/position-dependent-and-pair-diffusivity-profiles-from-steady-state-solutions-of-color-reaction-counterdiffusion-problems-1407.7709"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-particle-energy-spectra-in-local-reduced-density-matrix-functional-theory-1407.7939</loc><lastmod>2014-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-particle-energy-spectra-in-local-reduced-density-matrix-functional-theory-1407.7939"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-particle-energy-spectra-in-local-reduced-density-matrix-functional-theory-1407.7939"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-dependent-second-order-scaled-opposite-spin-correlation-functionals-in-the-optimized-effective-potential-method-1407.8096</loc><lastmod>2014-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-dependent-second-order-scaled-opposite-spin-correlation-functionals-in-the-optimized-effective-potential-method-1407.8096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-dependent-second-order-scaled-opposite-spin-correlation-functionals-in-the-optimized-effective-potential-method-1407.8096"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-self-assembled-monolayers-on-improved-electrical-stability-of-amorphous-in-ga-zn-o-thin-film-transistors-1408.0330</loc><lastmod>2014-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-self-assembled-monolayers-on-improved-electrical-stability-of-amorphous-in-ga-zn-o-thin-film-transistors-1408.0330"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-self-assembled-monolayers-on-improved-electrical-stability-of-amorphous-in-ga-zn-o-thin-film-transistors-1408.0330"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-adsorption-in-metal-organic-frameworks-the-role-of-nuclear-quantum-effects-1408.0608</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-adsorption-in-metal-organic-frameworks-the-role-of-nuclear-quantum-effects-1408.0608"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-adsorption-in-metal-organic-frameworks-the-role-of-nuclear-quantum-effects-1408.0608"/></url>
<url><loc>https://scifaro.com/en/abs/polymer-nanofibers-with-outstanding-thermal-conductivity-and-thermal-stability-fundamental-linkage-between-molecular-characteristics-and-macroscopic-thermal-properties-1408.0824</loc><lastmod>2014-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polymer-nanofibers-with-outstanding-thermal-conductivity-and-thermal-stability-fundamental-linkage-between-molecular-characteristics-and-macroscopic-thermal-properties-1408.0824"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polymer-nanofibers-with-outstanding-thermal-conductivity-and-thermal-stability-fundamental-linkage-between-molecular-characteristics-and-macroscopic-thermal-properties-1408.0824"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-transition-state-theory-1408.0996</loc><lastmod>2014-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-transition-state-theory-1408.0996"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-transition-state-theory-1408.0996"/></url>
<url><loc>https://scifaro.com/en/abs/building-water-models-a-different-approach-1408.1679</loc><lastmod>2015-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/building-water-models-a-different-approach-1408.1679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/building-water-models-a-different-approach-1408.1679"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-critical-benchmark-for-density-functional-theory-1408.2014</loc><lastmod>2014-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-critical-benchmark-for-density-functional-theory-1408.2014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-critical-benchmark-for-density-functional-theory-1408.2014"/></url>
<url><loc>https://scifaro.com/en/abs/interpretation-of-van-der-waals-density-functionals-1408.2075</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpretation-of-van-der-waals-density-functionals-1408.2075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpretation-of-van-der-waals-density-functionals-1408.2075"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-transmission-spectroscopy-with-dual-frequency-combs-1408.2158</loc><lastmod>2014-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-transmission-spectroscopy-with-dual-frequency-combs-1408.2158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-transmission-spectroscopy-with-dual-frequency-combs-1408.2158"/></url>
<url><loc>https://scifaro.com/en/abs/multidimensional-spectroscopy-with-a-single-broadband-phase-shaped-laser-pulse-1408.2174</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multidimensional-spectroscopy-with-a-single-broadband-phase-shaped-laser-pulse-1408.2174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multidimensional-spectroscopy-with-a-single-broadband-phase-shaped-laser-pulse-1408.2174"/></url>
<url><loc>https://scifaro.com/en/abs/global-empirical-potentials-from-purely-rotational-measurements-1408.2276</loc><lastmod>2014-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/global-empirical-potentials-from-purely-rotational-measurements-1408.2276"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/global-empirical-potentials-from-purely-rotational-measurements-1408.2276"/></url>
<url><loc>https://scifaro.com/en/abs/almost-exact-exchange-at-almost-no-cost-1408.2434</loc><lastmod>2014-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/almost-exact-exchange-at-almost-no-cost-1408.2434"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/almost-exact-exchange-at-almost-no-cost-1408.2434"/></url>
<url><loc>https://scifaro.com/en/abs/fast-and-flexible-geometric-method-for-enhancing-mc-sampling-of-compact-configurations-for-protein-docking-problem-1408.2481</loc><lastmod>2020-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-and-flexible-geometric-method-for-enhancing-mc-sampling-of-compact-configurations-for-protein-docking-problem-1408.2481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-and-flexible-geometric-method-for-enhancing-mc-sampling-of-compact-configurations-for-protein-docking-problem-1408.2481"/></url>
<url><loc>https://scifaro.com/en/abs/ion-momentum-imaging-of-dissociative-electron-attachment-dynamics-in-acetylene-1408.2555</loc><lastmod>2014-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ion-momentum-imaging-of-dissociative-electron-attachment-dynamics-in-acetylene-1408.2555"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ion-momentum-imaging-of-dissociative-electron-attachment-dynamics-in-acetylene-1408.2555"/></url>
<url><loc>https://scifaro.com/en/abs/a-transform-method-of-a-force-curve-obtained-by-surface-force-apparatus-to-the-density-distribution-of-a-liquid-on-a-surface-an-improved-version-1408.2730</loc><lastmod>2014-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-transform-method-of-a-force-curve-obtained-by-surface-force-apparatus-to-the-density-distribution-of-a-liquid-on-a-surface-an-improved-version-1408.2730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-transform-method-of-a-force-curve-obtained-by-surface-force-apparatus-to-the-density-distribution-of-a-liquid-on-a-surface-an-improved-version-1408.2730"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-pyridine-as-a-biomimetic-organo-hydride-for-homogeneous-reduction-of-co2-to-methanol-1408.2866</loc><lastmod>2014-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-pyridine-as-a-biomimetic-organo-hydride-for-homogeneous-reduction-of-co2-to-methanol-1408.2866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-pyridine-as-a-biomimetic-organo-hydride-for-homogeneous-reduction-of-co2-to-methanol-1408.2866"/></url>
<url><loc>https://scifaro.com/en/abs/mixed-quantal-semiquantal-dynamics-with-stochastic-particles-for-backreaction-1408.3242</loc><lastmod>2016-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixed-quantal-semiquantal-dynamics-with-stochastic-particles-for-backreaction-1408.3242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixed-quantal-semiquantal-dynamics-with-stochastic-particles-for-backreaction-1408.3242"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-asymptotically-corrected-model-potential-scheme-for-charge-transfer-like-excitations-in-oligoacenes-1408.3283</loc><lastmod>2014-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-asymptotically-corrected-model-potential-scheme-for-charge-transfer-like-excitations-in-oligoacenes-1408.3283"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-asymptotically-corrected-model-potential-scheme-for-charge-transfer-like-excitations-in-oligoacenes-1408.3283"/></url>
<url><loc>https://scifaro.com/en/abs/beryllium-monohydride-beh-where-we-are-now-after-86-years-of-spectroscopy-1408.3301</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beryllium-monohydride-beh-where-we-are-now-after-86-years-of-spectroscopy-1408.3301"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beryllium-monohydride-beh-where-we-are-now-after-86-years-of-spectroscopy-1408.3301"/></url>
<url><loc>https://scifaro.com/en/abs/a-common-supersolid-low-density-skin-sliperizing-ice-and-toughening-water-surface-1408.3466</loc><lastmod>2014-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-common-supersolid-low-density-skin-sliperizing-ice-and-toughening-water-surface-1408.3466"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-common-supersolid-low-density-skin-sliperizing-ice-and-toughening-water-surface-1408.3466"/></url>
<url><loc>https://scifaro.com/en/abs/fixed-node-diffusion-monte-carlo-potential-energy-curve-of-the-fluorine-molecule-f2-using-selected-configuration-interaction-trial-wavefunctions-1408.3672</loc><lastmod>2016-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fixed-node-diffusion-monte-carlo-potential-energy-curve-of-the-fluorine-molecule-f2-using-selected-configuration-interaction-trial-wavefunctions-1408.3672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fixed-node-diffusion-monte-carlo-potential-energy-curve-of-the-fluorine-molecule-f2-using-selected-configuration-interaction-trial-wavefunctions-1408.3672"/></url>
<url><loc>https://scifaro.com/en/abs/commutator-expansions-in-nmr-diffusometry-1408.3920</loc><lastmod>2014-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/commutator-expansions-in-nmr-diffusometry-1408.3920"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/commutator-expansions-in-nmr-diffusometry-1408.3920"/></url>
<url><loc>https://scifaro.com/en/abs/over-limiting-current-and-control-of-dendritic-growth-by-surface-conduction-in-nanopores-1408.4202</loc><lastmod>2017-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/over-limiting-current-and-control-of-dendritic-growth-by-surface-conduction-in-nanopores-1408.4202"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/over-limiting-current-and-control-of-dendritic-growth-by-surface-conduction-in-nanopores-1408.4202"/></url>
<url><loc>https://scifaro.com/en/abs/polyradical-character-and-spin-frustration-in-fullerene-molecules-an-ab-initio-non-collinear-hartree-fock-study-1408.4386</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polyradical-character-and-spin-frustration-in-fullerene-molecules-an-ab-initio-non-collinear-hartree-fock-study-1408.4386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polyradical-character-and-spin-frustration-in-fullerene-molecules-an-ab-initio-non-collinear-hartree-fock-study-1408.4386"/></url>
<url><loc>https://scifaro.com/en/abs/hidden-aspects-of-the-structural-theory-of-chemistry-the-mc-qtaim-analysis-reveals-alchemical-transformation-from-a-triatomic-to-a-diatomic-structure-1408.4482</loc><lastmod>2014-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hidden-aspects-of-the-structural-theory-of-chemistry-the-mc-qtaim-analysis-reveals-alchemical-transformation-from-a-triatomic-to-a-diatomic-structure-1408.4482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hidden-aspects-of-the-structural-theory-of-chemistry-the-mc-qtaim-analysis-reveals-alchemical-transformation-from-a-triatomic-to-a-diatomic-structure-1408.4482"/></url>
<url><loc>https://scifaro.com/en/abs/dft-a-theory-full-of-holes-1408.4826</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dft-a-theory-full-of-holes-1408.4826"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dft-a-theory-full-of-holes-1408.4826"/></url>
<url><loc>https://scifaro.com/en/abs/internal-state-thermometry-of-cold-trapped-molecular-anions-1408.4968</loc><lastmod>2014-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/internal-state-thermometry-of-cold-trapped-molecular-anions-1408.4968"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/internal-state-thermometry-of-cold-trapped-molecular-anions-1408.4968"/></url>
<url><loc>https://scifaro.com/en/abs/a-spin-adapted-density-matrix-renormalization-group-algorithm-for-quantum-chemistry-1408.5039</loc><lastmod>2014-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-spin-adapted-density-matrix-renormalization-group-algorithm-for-quantum-chemistry-1408.5039"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-spin-adapted-density-matrix-renormalization-group-algorithm-for-quantum-chemistry-1408.5039"/></url>
<url><loc>https://scifaro.com/en/abs/low-energy-spectrum-of-iron-sulfur-clusters-directly-from-many-particle-quantum-mechanics-1408.5080</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-energy-spectrum-of-iron-sulfur-clusters-directly-from-many-particle-quantum-mechanics-1408.5080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-energy-spectrum-of-iron-sulfur-clusters-directly-from-many-particle-quantum-mechanics-1408.5080"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-accuracy-directly-from-quantum-chemistry-application-to-ground-and-excited-states-of-beryllium-dimer-1408.5090</loc><lastmod>2014-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-accuracy-directly-from-quantum-chemistry-application-to-ground-and-excited-states-of-beryllium-dimer-1408.5090"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-accuracy-directly-from-quantum-chemistry-application-to-ground-and-excited-states-of-beryllium-dimer-1408.5090"/></url>
<url><loc>https://scifaro.com/en/abs/a-flexible-multi-reference-perturbation-theory-by-minimizing-the-hylleraas-functional-with-matrix-product-states-1408.5092</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-flexible-multi-reference-perturbation-theory-by-minimizing-the-hylleraas-functional-with-matrix-product-states-1408.5092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-flexible-multi-reference-perturbation-theory-by-minimizing-the-hylleraas-functional-with-matrix-product-states-1408.5092"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-role-of-interfacial-hydrogen-bonds-in-on-water-catalysis-1408.5161</loc><lastmod>2015-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-role-of-interfacial-hydrogen-bonds-in-on-water-catalysis-1408.5161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-role-of-interfacial-hydrogen-bonds-in-on-water-catalysis-1408.5161"/></url>
<url><loc>https://scifaro.com/en/abs/can-natural-sunlight-induce-coherent-exciton-dynamics-1408.5385</loc><lastmod>2014-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-natural-sunlight-induce-coherent-exciton-dynamics-1408.5385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-natural-sunlight-induce-coherent-exciton-dynamics-1408.5385"/></url>
<url><loc>https://scifaro.com/en/abs/how-to-make-electrons-avoid-each-other-a-nonlocal-radius-for-strong-correlation-1408.5426</loc><lastmod>2014-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-to-make-electrons-avoid-each-other-a-nonlocal-radius-for-strong-correlation-1408.5426"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-to-make-electrons-avoid-each-other-a-nonlocal-radius-for-strong-correlation-1408.5426"/></url>
<url><loc>https://scifaro.com/en/abs/perspective-markov-models-for-long-timescale-biomolecular-dynamics-1408.5446</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perspective-markov-models-for-long-timescale-biomolecular-dynamics-1408.5446"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perspective-markov-models-for-long-timescale-biomolecular-dynamics-1408.5446"/></url>
<url><loc>https://scifaro.com/en/abs/near-exact-excited-states-of-the-carbon-dimer-in-a-quadruple-zeta-basis-using-a-general-non-abelian-density-matrix-renormalization-group-algorithm-1408.5868</loc><lastmod>2014-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-exact-excited-states-of-the-carbon-dimer-in-a-quadruple-zeta-basis-using-a-general-non-abelian-density-matrix-renormalization-group-algorithm-1408.5868"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-exact-excited-states-of-the-carbon-dimer-in-a-quadruple-zeta-basis-using-a-general-non-abelian-density-matrix-renormalization-group-algorithm-1408.5868"/></url>
<url><loc>https://scifaro.com/en/abs/the-fast-multipole-method-and-point-dipole-moment-polarizable-force-fields-1408.6527</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-fast-multipole-method-and-point-dipole-moment-polarizable-force-fields-1408.6527"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-fast-multipole-method-and-point-dipole-moment-polarizable-force-fields-1408.6527"/></url>
<url><loc>https://scifaro.com/en/abs/non-stochastic-matrix-schr-odinger-equation-for-open-systems-1408.6624</loc><lastmod>2015-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-stochastic-matrix-schr-odinger-equation-for-open-systems-1408.6624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-stochastic-matrix-schr-odinger-equation-for-open-systems-1408.6624"/></url>
<url><loc>https://scifaro.com/en/abs/a-molecular-density-functional-theory-to-study-solvation-in-water-1408.7008</loc><lastmod>2014-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-molecular-density-functional-theory-to-study-solvation-in-water-1408.7008"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-molecular-density-functional-theory-to-study-solvation-in-water-1408.7008"/></url>
<url><loc>https://scifaro.com/en/abs/hydration-of-kr-aq-in-dilute-and-concentrated-solutions-1409.0897</loc><lastmod>2014-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydration-of-kr-aq-in-dilute-and-concentrated-solutions-1409.0897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydration-of-kr-aq-in-dilute-and-concentrated-solutions-1409.0897"/></url>
<url><loc>https://scifaro.com/en/abs/best-of-both-worlds-uniform-sampling-in-cartesian-and-cayley-molecular-assembly-configuration-space-1409.0956</loc><lastmod>2014-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/best-of-both-worlds-uniform-sampling-in-cartesian-and-cayley-molecular-assembly-configuration-space-1409.0956"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/best-of-both-worlds-uniform-sampling-in-cartesian-and-cayley-molecular-assembly-configuration-space-1409.0956"/></url>
<url><loc>https://scifaro.com/en/abs/non-markovian-quantum-state-diffusion-for-temperature-dependent-linear-spectra-of-light-harvesting-aggregates-1409.1091</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-markovian-quantum-state-diffusion-for-temperature-dependent-linear-spectra-of-light-harvesting-aggregates-1409.1091"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-markovian-quantum-state-diffusion-for-temperature-dependent-linear-spectra-of-light-harvesting-aggregates-1409.1091"/></url>
<url><loc>https://scifaro.com/en/abs/structure-and-bonding-of-second-row-hydrides-1409.1190</loc><lastmod>2014-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-and-bonding-of-second-row-hydrides-1409.1190"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-and-bonding-of-second-row-hydrides-1409.1190"/></url>
<url><loc>https://scifaro.com/en/abs/self-consistent-embedding-of-density-matrix-renormalization-group-wavefunctions-in-a-density-functional-environment-1409.1953</loc><lastmod>2015-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-consistent-embedding-of-density-matrix-renormalization-group-wavefunctions-in-a-density-functional-environment-1409.1953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-consistent-embedding-of-density-matrix-renormalization-group-wavefunctions-in-a-density-functional-environment-1409.1953"/></url>
<url><loc>https://scifaro.com/en/abs/atomic-electronic-states-the-l-s-and-j-j-coupling-schemes-and-their-correlation-1409.2032</loc><lastmod>2014-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomic-electronic-states-the-l-s-and-j-j-coupling-schemes-and-their-correlation-1409.2032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomic-electronic-states-the-l-s-and-j-j-coupling-schemes-and-their-correlation-1409.2032"/></url>
<url><loc>https://scifaro.com/en/abs/maximum-probability-domains-for-the-analysis-of-the-microscopic-structure-of-liquids-1409.2107</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/maximum-probability-domains-for-the-analysis-of-the-microscopic-structure-of-liquids-1409.2107"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/maximum-probability-domains-for-the-analysis-of-the-microscopic-structure-of-liquids-1409.2107"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-exact-formulation-of-multi-configuration-density-functional-theory-electron-density-versus-orbitals-occupation-1409.2326</loc><lastmod>2015-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-exact-formulation-of-multi-configuration-density-functional-theory-electron-density-versus-orbitals-occupation-1409.2326"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-exact-formulation-of-multi-configuration-density-functional-theory-electron-density-versus-orbitals-occupation-1409.2326"/></url>
<url><loc>https://scifaro.com/en/abs/studies-on-the-bound-state-spectrum-of-hyperbolic-potential-1409.2401</loc><lastmod>2015-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/studies-on-the-bound-state-spectrum-of-hyperbolic-potential-1409.2401"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/studies-on-the-bound-state-spectrum-of-hyperbolic-potential-1409.2401"/></url>
<url><loc>https://scifaro.com/en/abs/ro-vibrational-studies-of-diatomic-molecules-in-a-shifted-deng-fan-oscillator-potential-1409.2403</loc><lastmod>2014-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ro-vibrational-studies-of-diatomic-molecules-in-a-shifted-deng-fan-oscillator-potential-1409.2403"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ro-vibrational-studies-of-diatomic-molecules-in-a-shifted-deng-fan-oscillator-potential-1409.2403"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-cluster-perturbation-theory-i-formalism-1409.2700</loc><lastmod>2016-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-cluster-perturbation-theory-i-formalism-1409.2700"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-cluster-perturbation-theory-i-formalism-1409.2700"/></url>
<url><loc>https://scifaro.com/en/abs/ro-vibrational-spectroscopy-of-molecules-represented-by-a-tietz-hua-oscillator-potential-1409.2771</loc><lastmod>2014-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ro-vibrational-spectroscopy-of-molecules-represented-by-a-tietz-hua-oscillator-potential-1409.2771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ro-vibrational-spectroscopy-of-molecules-represented-by-a-tietz-hua-oscillator-potential-1409.2771"/></url>
<url><loc>https://scifaro.com/en/abs/two-state-wave-packet-for-strong-field-free-molecular-orientation-1409.2836</loc><lastmod>2015-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-state-wave-packet-for-strong-field-free-molecular-orientation-1409.2836"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-state-wave-packet-for-strong-field-free-molecular-orientation-1409.2836"/></url>
<url><loc>https://scifaro.com/en/abs/laser-driven-localization-of-collective-co-vibrations-in-metal-carbonyl-complexes-1409.2852</loc><lastmod>2014-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-driven-localization-of-collective-co-vibrations-in-metal-carbonyl-complexes-1409.2852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-driven-localization-of-collective-co-vibrations-in-metal-carbonyl-complexes-1409.2852"/></url>
<url><loc>https://scifaro.com/en/abs/multicomponent-gas-diffusion-in-porous-electrodes-1409.2965</loc><lastmod>2014-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multicomponent-gas-diffusion-in-porous-electrodes-1409.2965"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multicomponent-gas-diffusion-in-porous-electrodes-1409.2965"/></url>
<url><loc>https://scifaro.com/en/abs/challenges-in-the-theoretical-description-of-nanoparticle-reactivity-nano-zero-valent-iron-1409.3529</loc><lastmod>2014-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/challenges-in-the-theoretical-description-of-nanoparticle-reactivity-nano-zero-valent-iron-1409.3529"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/challenges-in-the-theoretical-description-of-nanoparticle-reactivity-nano-zero-valent-iron-1409.3529"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-nonrelativistic-ground-state-energies-of-3d-transition-metal-atoms-1409.3671</loc><lastmod>2016-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-nonrelativistic-ground-state-energies-of-3d-transition-metal-atoms-1409.3671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-nonrelativistic-ground-state-energies-of-3d-transition-metal-atoms-1409.3671"/></url>
<url><loc>https://scifaro.com/en/abs/the-semiclassical-propagator-in-fermionic-fock-space-1409.4196</loc><lastmod>2014-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-semiclassical-propagator-in-fermionic-fock-space-1409.4196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-semiclassical-propagator-in-fermionic-fock-space-1409.4196"/></url>
<url><loc>https://scifaro.com/en/abs/universality-in-the-cold-and-ultracold-dynamics-of-the-barrierless-d-h-2-reaction-1409.4298</loc><lastmod>2014-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universality-in-the-cold-and-ultracold-dynamics-of-the-barrierless-d-h-2-reaction-1409.4298"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universality-in-the-cold-and-ultracold-dynamics-of-the-barrierless-d-h-2-reaction-1409.4298"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-calculation-of-electronic-absorption-spectra-by-means-of-intensity-selected-td-dftb-1409.4521</loc><lastmod>2015-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-calculation-of-electronic-absorption-spectra-by-means-of-intensity-selected-td-dftb-1409.4521"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-calculation-of-electronic-absorption-spectra-by-means-of-intensity-selected-td-dftb-1409.4521"/></url>
<url><loc>https://scifaro.com/en/abs/diffusion-in-a-rough-potential-revisited-1409.4581</loc><lastmod>2014-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffusion-in-a-rough-potential-revisited-1409.4581"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffusion-in-a-rough-potential-revisited-1409.4581"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-informational-approach-for-dissecting-chemical-reactions-1409.4867</loc><lastmod>2015-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-informational-approach-for-dissecting-chemical-reactions-1409.4867"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-informational-approach-for-dissecting-chemical-reactions-1409.4867"/></url>
<url><loc>https://scifaro.com/en/abs/facile-preparation-of-agarose-chitosan-hybrid-materials-and-nanocomposite-ionogels-using-an-ionic-liquid-via-dissolution-regeneration-and-sol-gel-transition-1409.4962</loc><lastmod>2014-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/facile-preparation-of-agarose-chitosan-hybrid-materials-and-nanocomposite-ionogels-using-an-ionic-liquid-via-dissolution-regeneration-and-sol-gel-transition-1409.4962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/facile-preparation-of-agarose-chitosan-hybrid-materials-and-nanocomposite-ionogels-using-an-ionic-liquid-via-dissolution-regeneration-and-sol-gel-transition-1409.4962"/></url>
<url><loc>https://scifaro.com/en/abs/singlet-triplet-annihilation-limits-exciton-yield-in-poly-3-hexylthiophene-1409.4973</loc><lastmod>2014-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/singlet-triplet-annihilation-limits-exciton-yield-in-poly-3-hexylthiophene-1409.4973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/singlet-triplet-annihilation-limits-exciton-yield-in-poly-3-hexylthiophene-1409.4973"/></url>
<url><loc>https://scifaro.com/en/abs/an-adaptive-mass-algorithm-for-car-parrinello-and-ehrenfest-ab-initio-molecular-dynamics-1409.4992</loc><lastmod>2014-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-adaptive-mass-algorithm-for-car-parrinello-and-ehrenfest-ab-initio-molecular-dynamics-1409.4992"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-adaptive-mass-algorithm-for-car-parrinello-and-ehrenfest-ab-initio-molecular-dynamics-1409.4992"/></url>
<url><loc>https://scifaro.com/en/abs/derivative-discontinuity-and-exchange-correlation-potential-of-meta-ggas-in-density-functional-theory-1409.5065</loc><lastmod>2014-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/derivative-discontinuity-and-exchange-correlation-potential-of-meta-ggas-in-density-functional-theory-1409.5065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/derivative-discontinuity-and-exchange-correlation-potential-of-meta-ggas-in-density-functional-theory-1409.5065"/></url>
<url><loc>https://scifaro.com/en/abs/the-average-free-volume-model-for-the-ionic-and-simple-liquids-1409.5192</loc><lastmod>2014-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-average-free-volume-model-for-the-ionic-and-simple-liquids-1409.5192"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-average-free-volume-model-for-the-ionic-and-simple-liquids-1409.5192"/></url>
<url><loc>https://scifaro.com/en/abs/the-adaptive-buffered-force-qm-mm-method-in-the-cp2k-and-amber-software-packages-1409.5218</loc><lastmod>2014-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-adaptive-buffered-force-qm-mm-method-in-the-cp2k-and-amber-software-packages-1409.5218"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-adaptive-buffered-force-qm-mm-method-in-the-cp2k-and-amber-software-packages-1409.5218"/></url>
<url><loc>https://scifaro.com/en/abs/estimation-of-correlation-energy-for-excited-states-of-atoms-1409.5242</loc><lastmod>2014-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/estimation-of-correlation-energy-for-excited-states-of-atoms-1409.5242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/estimation-of-correlation-energy-for-excited-states-of-atoms-1409.5242"/></url>
<url><loc>https://scifaro.com/en/abs/a-two-parameter-extension-of-classical-nucleation-theory-1409.5562</loc><lastmod>2015-05-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-two-parameter-extension-of-classical-nucleation-theory-1409.5562"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-two-parameter-extension-of-classical-nucleation-theory-1409.5562"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-bimolecular-chemical-reactions-by-electric-fields-1409.5857</loc><lastmod>2018-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-bimolecular-chemical-reactions-by-electric-fields-1409.5857"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-bimolecular-chemical-reactions-by-electric-fields-1409.5857"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-estimation-of-rare-event-kinetics-1409.6439</loc><lastmod>2016-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-estimation-of-rare-event-kinetics-1409.6439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-estimation-of-rare-event-kinetics-1409.6439"/></url>
<url><loc>https://scifaro.com/en/abs/protein-chemical-shift-prediction-1409.6772</loc><lastmod>2014-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/protein-chemical-shift-prediction-1409.6772"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/protein-chemical-shift-prediction-1409.6772"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-effects-on-ch-3-nh-3-pbi-3-perovskite-from-ab-initio-molecular-dynamics-simulations-1409.6842</loc><lastmod>2014-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-effects-on-ch-3-nh-3-pbi-3-perovskite-from-ab-initio-molecular-dynamics-simulations-1409.6842"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-effects-on-ch-3-nh-3-pbi-3-perovskite-from-ab-initio-molecular-dynamics-simulations-1409.6842"/></url>
<url><loc>https://scifaro.com/en/abs/electron-attachment-to-dna-and-rna-nucleobases-an-eomcc-investigation-1409.7266</loc><lastmod>2014-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-attachment-to-dna-and-rna-nucleobases-an-eomcc-investigation-1409.7266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-attachment-to-dna-and-rna-nucleobases-an-eomcc-investigation-1409.7266"/></url>
<url><loc>https://scifaro.com/en/abs/approaching-exact-hyperpolarizabilities-via-sum-over-states-monte-carlo-configuration-interaction-1409.7276</loc><lastmod>2014-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approaching-exact-hyperpolarizabilities-via-sum-over-states-monte-carlo-configuration-interaction-1409.7276"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approaching-exact-hyperpolarizabilities-via-sum-over-states-monte-carlo-configuration-interaction-1409.7276"/></url>
<url><loc>https://scifaro.com/en/abs/compact-wavefunctions-from-compressed-imaginary-time-evolution-1409.7358</loc><lastmod>2016-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compact-wavefunctions-from-compressed-imaginary-time-evolution-1409.7358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compact-wavefunctions-from-compressed-imaginary-time-evolution-1409.7358"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-charge-sign-asymmetric-solvation-free-energies-with-nonlinear-boundary-conditions-1409.7418</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-charge-sign-asymmetric-solvation-free-energies-with-nonlinear-boundary-conditions-1409.7418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-charge-sign-asymmetric-solvation-free-energies-with-nonlinear-boundary-conditions-1409.7418"/></url>
<url><loc>https://scifaro.com/en/abs/range-separated-meta-gga-functional-designed-for-noncovalent-interactions-1409.7431</loc><lastmod>2014-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/range-separated-meta-gga-functional-designed-for-noncovalent-interactions-1409.7431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/range-separated-meta-gga-functional-designed-for-noncovalent-interactions-1409.7431"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-reordering-processes-on-ice-0001-surfaces-from-long-timescale-simulations-1409.7553</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-reordering-processes-on-ice-0001-surfaces-from-long-timescale-simulations-1409.7553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-reordering-processes-on-ice-0001-surfaces-from-long-timescale-simulations-1409.7553"/></url>
<url><loc>https://scifaro.com/en/abs/structure-evolution-of-graphene-oxide-during-thermally-driven-phase-transformation-is-the-oxygen-content-really-preserved-1409.7739</loc><lastmod>2015-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-evolution-of-graphene-oxide-during-thermally-driven-phase-transformation-is-the-oxygen-content-really-preserved-1409.7739"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-evolution-of-graphene-oxide-during-thermally-driven-phase-transformation-is-the-oxygen-content-really-preserved-1409.7739"/></url>
<url><loc>https://scifaro.com/en/abs/a-mini-review-on-the-chemistry-and-catalysis-of-the-water-gas-shift-reaction-1409.7976</loc><lastmod>2014-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mini-review-on-the-chemistry-and-catalysis-of-the-water-gas-shift-reaction-1409.7976"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mini-review-on-the-chemistry-and-catalysis-of-the-water-gas-shift-reaction-1409.7976"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-entanglement-in-quantum-chemistry-1409.8017</loc><lastmod>2016-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-entanglement-in-quantum-chemistry-1409.8017"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-entanglement-in-quantum-chemistry-1409.8017"/></url>
<url><loc>https://scifaro.com/en/abs/a-tight-distance-dependent-estimator-for-screening-three-center-coulomb-integrals-over-gaussian-basis-functions-1409.8232</loc><lastmod>2015-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-tight-distance-dependent-estimator-for-screening-three-center-coulomb-integrals-over-gaussian-basis-functions-1409.8232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-tight-distance-dependent-estimator-for-screening-three-center-coulomb-integrals-over-gaussian-basis-functions-1409.8232"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-nondispersing-classical-like-molecular-rotation-1409.8365</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-nondispersing-classical-like-molecular-rotation-1409.8365"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-nondispersing-classical-like-molecular-rotation-1409.8365"/></url>
<url><loc>https://scifaro.com/en/abs/computer-simulation-study-of-surface-wave-dynamics-at-the-crystal-melt-interface-1410.0224</loc><lastmod>2014-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computer-simulation-study-of-surface-wave-dynamics-at-the-crystal-melt-interface-1410.0224"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computer-simulation-study-of-surface-wave-dynamics-at-the-crystal-melt-interface-1410.0224"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-the-ice-water-interface-using-the-tip4p-2005-water-model-1410.0290</loc><lastmod>2014-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-the-ice-water-interface-using-the-tip4p-2005-water-model-1410.0290"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-the-ice-water-interface-using-the-tip4p-2005-water-model-1410.0290"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-chemistry-for-a-gasoline-surrogate-valid-at-engine-relevant-conditions-1410.0401</loc><lastmod>2015-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-chemistry-for-a-gasoline-surrogate-valid-at-engine-relevant-conditions-1410.0401"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-chemistry-for-a-gasoline-surrogate-valid-at-engine-relevant-conditions-1410.0401"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-enhancement-in-the-production-of-nucleating-clusters-due-to-dimethylamine-and-large-uncertainties-in-the-thermochemistry-of-amine-enhanced-nucleation-by-nadykto-et-al-chem-phys-lett-609-42-49-2014-1410.0816</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-enhancement-in-the-production-of-nucleating-clusters-due-to-dimethylamine-and-large-uncertainties-in-the-thermochemistry-of-amine-enhanced-nucleation-by-nadykto-et-al-chem-phys-lett-609-42-49-2014-1410.0816"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-enhancement-in-the-production-of-nucleating-clusters-due-to-dimethylamine-and-large-uncertainties-in-the-thermochemistry-of-amine-enhanced-nucleation-by-nadykto-et-al-chem-phys-lett-609-42-49-2014-1410.0816"/></url>
<url><loc>https://scifaro.com/en/abs/water-density-fluctuations-relevant-to-hydrophobic-hydration-are-unaltered-by-attractions-1410.1614</loc><lastmod>2015-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-density-fluctuations-relevant-to-hydrophobic-hydration-are-unaltered-by-attractions-1410.1614"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-density-fluctuations-relevant-to-hydrophobic-hydration-are-unaltered-by-attractions-1410.1614"/></url>
<url><loc>https://scifaro.com/en/abs/associated-legendre-polynomials-and-spherical-harmonics-computation-for-chemistry-applications-1410.1748</loc><lastmod>2014-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/associated-legendre-polynomials-and-spherical-harmonics-computation-for-chemistry-applications-1410.1748"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/associated-legendre-polynomials-and-spherical-harmonics-computation-for-chemistry-applications-1410.1748"/></url>
<url><loc>https://scifaro.com/en/abs/four-center-integral-of-a-dipolar-two-electron-potential-between-s-type-gto-s-1410.1885</loc><lastmod>2014-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/four-center-integral-of-a-dipolar-two-electron-potential-between-s-type-gto-s-1410.1885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/four-center-integral-of-a-dipolar-two-electron-potential-between-s-type-gto-s-1410.1885"/></url>
<url><loc>https://scifaro.com/en/abs/interaction-of-polar-and-nonpolar-organic-pollutants-with-soil-organic-matter-sorption-experiments-and-molecular-dynamics-simulation-1410.2192</loc><lastmod>2015-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interaction-of-polar-and-nonpolar-organic-pollutants-with-soil-organic-matter-sorption-experiments-and-molecular-dynamics-simulation-1410.2192"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interaction-of-polar-and-nonpolar-organic-pollutants-with-soil-organic-matter-sorption-experiments-and-molecular-dynamics-simulation-1410.2192"/></url>
<url><loc>https://scifaro.com/en/abs/spicing-up-continuum-solvation-models-with-salsa-the-spherically-averaged-liquid-susceptibility-ansatz-1410.2273</loc><lastmod>2015-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spicing-up-continuum-solvation-models-with-salsa-the-spherically-averaged-liquid-susceptibility-ansatz-1410.2273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spicing-up-continuum-solvation-models-with-salsa-the-spherically-averaged-liquid-susceptibility-ansatz-1410.2273"/></url>
<url><loc>https://scifaro.com/en/abs/qualitative-breakdown-of-the-unrestricted-hartree-fock-energy-1410.2641</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qualitative-breakdown-of-the-unrestricted-hartree-fock-energy-1410.2641"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qualitative-breakdown-of-the-unrestricted-hartree-fock-energy-1410.2641"/></url>
<url><loc>https://scifaro.com/en/abs/increasing-the-active-surface-of-titanium-islands-on-graphene-by-nitrogen-sputtering-1410.2741</loc><lastmod>2015-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/increasing-the-active-surface-of-titanium-islands-on-graphene-by-nitrogen-sputtering-1410.2741"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/increasing-the-active-surface-of-titanium-islands-on-graphene-by-nitrogen-sputtering-1410.2741"/></url>
<url><loc>https://scifaro.com/en/abs/the-charge-asymmetric-nonlocally-determined-local-electric-candle-solvation-model-1410.2922</loc><lastmod>2015-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-charge-asymmetric-nonlocally-determined-local-electric-candle-solvation-model-1410.2922"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-charge-asymmetric-nonlocally-determined-local-electric-candle-solvation-model-1410.2922"/></url>
<url><loc>https://scifaro.com/en/abs/transient-impulsive-giant-electronic-raman-redistribution-1410.3161</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transient-impulsive-giant-electronic-raman-redistribution-1410.3161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transient-impulsive-giant-electronic-raman-redistribution-1410.3161"/></url>
<url><loc>https://scifaro.com/en/abs/octa-coordination-and-the-hydrated-ba2-aq-ion-1410.3395</loc><lastmod>2014-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/octa-coordination-and-the-hydrated-ba2-aq-ion-1410.3395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/octa-coordination-and-the-hydrated-ba2-aq-ion-1410.3395"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-extended-lagrangian-born-oppenheimer-molecular-dynamics-1410.3749</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-extended-lagrangian-born-oppenheimer-molecular-dynamics-1410.3749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-extended-lagrangian-born-oppenheimer-molecular-dynamics-1410.3749"/></url>
<url><loc>https://scifaro.com/en/abs/two-orders-of-magnitude-improvement-detection-limit-of-lateral-flow-assays-using-isotachophoresis-1410.3771</loc><lastmod>2014-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-orders-of-magnitude-improvement-detection-limit-of-lateral-flow-assays-using-isotachophoresis-1410.3771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-orders-of-magnitude-improvement-detection-limit-of-lateral-flow-assays-using-isotachophoresis-1410.3771"/></url>
<url><loc>https://scifaro.com/en/abs/open-chemical-reaction-networks-steady-state-loads-and-braess-like-paradox-1410.4299</loc><lastmod>2014-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/open-chemical-reaction-networks-steady-state-loads-and-braess-like-paradox-1410.4299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/open-chemical-reaction-networks-steady-state-loads-and-braess-like-paradox-1410.4299"/></url>
<url><loc>https://scifaro.com/en/abs/about-the-first-layer-effect-in-surface-enhanced-spectroscopy-1410.4431</loc><lastmod>2014-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/about-the-first-layer-effect-in-surface-enhanced-spectroscopy-1410.4431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/about-the-first-layer-effect-in-surface-enhanced-spectroscopy-1410.4431"/></url>
<url><loc>https://scifaro.com/en/abs/a-sparse-sampling-approach-for-the-fast-computation-of-matrices-application-to-molecular-vibrations-1410.4848</loc><lastmod>2014-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-sparse-sampling-approach-for-the-fast-computation-of-matrices-application-to-molecular-vibrations-1410.4848"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-sparse-sampling-approach-for-the-fast-computation-of-matrices-application-to-molecular-vibrations-1410.4848"/></url>
<url><loc>https://scifaro.com/en/abs/fast-construction-of-the-exchange-operator-in-an-atom-centered-basis-with-concentric-atomic-density-fitting-1410.4882</loc><lastmod>2014-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-construction-of-the-exchange-operator-in-an-atom-centered-basis-with-concentric-atomic-density-fitting-1410.4882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-construction-of-the-exchange-operator-in-an-atom-centered-basis-with-concentric-atomic-density-fitting-1410.4882"/></url>
<url><loc>https://scifaro.com/en/abs/recognizing-molecular-patterns-by-machine-learning-an-agnostic-structural-definition-of-the-hydrogen-bond-1410.5447</loc><lastmod>2014-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recognizing-molecular-patterns-by-machine-learning-an-agnostic-structural-definition-of-the-hydrogen-bond-1410.5447"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recognizing-molecular-patterns-by-machine-learning-an-agnostic-structural-definition-of-the-hydrogen-bond-1410.5447"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-orbiting-resonances-in-he-3s1-nh3-penning-ionization-1410.5651</loc><lastmod>2015-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-orbiting-resonances-in-he-3s1-nh3-penning-ionization-1410.5651"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-orbiting-resonances-in-he-3s1-nh3-penning-ionization-1410.5651"/></url>
<url><loc>https://scifaro.com/en/abs/multi-scale-mechanical-characterization-of-highly-swollen-photo-activated-collagen-hydrogels-1410.6010</loc><lastmod>2014-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-scale-mechanical-characterization-of-highly-swollen-photo-activated-collagen-hydrogels-1410.6010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-scale-mechanical-characterization-of-highly-swollen-photo-activated-collagen-hydrogels-1410.6010"/></url>
<url><loc>https://scifaro.com/en/abs/sublinear-scaling-for-time-dependent-stochastic-density-functional-theory-1410.6133</loc><lastmod>2016-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sublinear-scaling-for-time-dependent-stochastic-density-functional-theory-1410.6133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sublinear-scaling-for-time-dependent-stochastic-density-functional-theory-1410.6133"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-two-centre-two-electron-integrals-over-slater-type-orbitals-revisited-iii-case-study-of-the-beryllium-dimer-1410.6176</loc><lastmod>2015-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-two-centre-two-electron-integrals-over-slater-type-orbitals-revisited-iii-case-study-of-the-beryllium-dimer-1410.6176"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-two-centre-two-electron-integrals-over-slater-type-orbitals-revisited-iii-case-study-of-the-beryllium-dimer-1410.6176"/></url>
<url><loc>https://scifaro.com/en/abs/fast-transport-and-relaxation-of-vibrational-energy-in-polymer-chains-1410.6209</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-transport-and-relaxation-of-vibrational-energy-in-polymer-chains-1410.6209"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-transport-and-relaxation-of-vibrational-energy-in-polymer-chains-1410.6209"/></url>
<url><loc>https://scifaro.com/en/abs/active-space-decomposition-with-multiple-sites-density-matrix-renormalization-group-algorithm-1410.6407</loc><lastmod>2014-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/active-space-decomposition-with-multiple-sites-density-matrix-renormalization-group-algorithm-1410.6407"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/active-space-decomposition-with-multiple-sites-density-matrix-renormalization-group-algorithm-1410.6407"/></url>
<url><loc>https://scifaro.com/en/abs/seniority-based-coupled-cluster-theory-1410.6529</loc><lastmod>2016-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/seniority-based-coupled-cluster-theory-1410.6529"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/seniority-based-coupled-cluster-theory-1410.6529"/></url>
<url><loc>https://scifaro.com/en/abs/direct-simulations-of-homogeneous-bubble-nucleation-agreement-with-cnt-and-no-local-hot-spots-1410.6737</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-simulations-of-homogeneous-bubble-nucleation-agreement-with-cnt-and-no-local-hot-spots-1410.6737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-simulations-of-homogeneous-bubble-nucleation-agreement-with-cnt-and-no-local-hot-spots-1410.6737"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-model-for-nondynamic-and-strong-correlation-1410.6750</loc><lastmod>2015-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-model-for-nondynamic-and-strong-correlation-1410.6750"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-model-for-nondynamic-and-strong-correlation-1410.6750"/></url>
<url><loc>https://scifaro.com/en/abs/law-of-localised-fine-structure-with-application-in-mass-spectrometry-1410.7378</loc><lastmod>2014-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/law-of-localised-fine-structure-with-application-in-mass-spectrometry-1410.7378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/law-of-localised-fine-structure-with-application-in-mass-spectrometry-1410.7378"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-consistency-of-approximate-quantum-dynamics-simulation-methods-for-vibrational-spectra-in-the-condensed-phase-1410.7571</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-consistency-of-approximate-quantum-dynamics-simulation-methods-for-vibrational-spectra-in-the-condensed-phase-1410.7571"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-consistency-of-approximate-quantum-dynamics-simulation-methods-for-vibrational-spectra-in-the-condensed-phase-1410.7571"/></url>
<url><loc>https://scifaro.com/en/abs/testing-and-using-the-lewin-lieb-bound-in-density-functional-theory-1410.7838</loc><lastmod>2014-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/testing-and-using-the-lewin-lieb-bound-in-density-functional-theory-1410.7838"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/testing-and-using-the-lewin-lieb-bound-in-density-functional-theory-1410.7838"/></url>
<url><loc>https://scifaro.com/en/abs/valence-bond-non-equilibrium-solvation-model-for-a-twisting-monomethine-cyanine-1410.7866</loc><lastmod>2016-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/valence-bond-non-equilibrium-solvation-model-for-a-twisting-monomethine-cyanine-1410.7866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/valence-bond-non-equilibrium-solvation-model-for-a-twisting-monomethine-cyanine-1410.7866"/></url>
<url><loc>https://scifaro.com/en/abs/ultracold-chemistry-with-alkali-metal-rare-earth-molecules-1410.8095</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultracold-chemistry-with-alkali-metal-rare-earth-molecules-1410.8095"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultracold-chemistry-with-alkali-metal-rare-earth-molecules-1410.8095"/></url>
<url><loc>https://scifaro.com/en/abs/developing-an-aqueous-approach-for-synthesizing-au-and-m-au-m-pd-cupt-hybrid-nanostars-with-plasmonic-properties-1410.8163</loc><lastmod>2015-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/developing-an-aqueous-approach-for-synthesizing-au-and-m-au-m-pd-cupt-hybrid-nanostars-with-plasmonic-properties-1410.8163"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/developing-an-aqueous-approach-for-synthesizing-au-and-m-au-m-pd-cupt-hybrid-nanostars-with-plasmonic-properties-1410.8163"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-adsorption-of-molecules-on-graphene-and-silicene-1410.8730</loc><lastmod>2014-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-adsorption-of-molecules-on-graphene-and-silicene-1410.8730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-adsorption-of-molecules-on-graphene-and-silicene-1410.8730"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-matter-photonics-framework-analyses-of-chemical-conversion-processes-1410.8771</loc><lastmod>2014-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-matter-photonics-framework-analyses-of-chemical-conversion-processes-1410.8771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-matter-photonics-framework-analyses-of-chemical-conversion-processes-1410.8771"/></url>
<url><loc>https://scifaro.com/en/abs/evidence-for-weakly-bound-electrons-in-non-irradiated-alkane-crystals-the-electrons-as-a-probe-of-structural-differences-in-crystals-1411.0018</loc><lastmod>2015-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evidence-for-weakly-bound-electrons-in-non-irradiated-alkane-crystals-the-electrons-as-a-probe-of-structural-differences-in-crystals-1411.0018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evidence-for-weakly-bound-electrons-in-non-irradiated-alkane-crystals-the-electrons-as-a-probe-of-structural-differences-in-crystals-1411.0018"/></url>
<url><loc>https://scifaro.com/en/abs/a-transformed-framework-for-dynamic-correlation-in-multireference-problems-1411.0067</loc><lastmod>2016-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-transformed-framework-for-dynamic-correlation-in-multireference-problems-1411.0067"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-transformed-framework-for-dynamic-correlation-in-multireference-problems-1411.0067"/></url>
<url><loc>https://scifaro.com/en/abs/delocalized-quantum-states-enhance-photocell-efficiency-1411.0713</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/delocalized-quantum-states-enhance-photocell-efficiency-1411.0713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/delocalized-quantum-states-enhance-photocell-efficiency-1411.0713"/></url>
<url><loc>https://scifaro.com/en/abs/line-tension-and-reduction-of-apparent-contact-angle-associated-with-electric-double-layers-1411.1186</loc><lastmod>2014-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/line-tension-and-reduction-of-apparent-contact-angle-associated-with-electric-double-layers-1411.1186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/line-tension-and-reduction-of-apparent-contact-angle-associated-with-electric-double-layers-1411.1186"/></url>
<url><loc>https://scifaro.com/en/abs/bypassing-the-malfunction-junction-in-warm-dense-matter-simulations-1411.1532</loc><lastmod>2015-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bypassing-the-malfunction-junction-in-warm-dense-matter-simulations-1411.1532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bypassing-the-malfunction-junction-in-warm-dense-matter-simulations-1411.1532"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-attractive-interactions-in-the-dynamics-of-molecules-in-liquids-1411.1773</loc><lastmod>2014-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-attractive-interactions-in-the-dynamics-of-molecules-in-liquids-1411.1773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-attractive-interactions-in-the-dynamics-of-molecules-in-liquids-1411.1773"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-the-dissipative-and-random-forces-in-the-calculation-of-the-pressure-of-simple-fluids-with-dissipative-particle-dynamics-1411.1798</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-the-dissipative-and-random-forces-in-the-calculation-of-the-pressure-of-simple-fluids-with-dissipative-particle-dynamics-1411.1798"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-the-dissipative-and-random-forces-in-the-calculation-of-the-pressure-of-simple-fluids-with-dissipative-particle-dynamics-1411.1798"/></url>
<url><loc>https://scifaro.com/en/abs/entropy-and-enthalpy-of-interaction-between-amino-acid-side-chains-in-nanopores-1411.2054</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entropy-and-enthalpy-of-interaction-between-amino-acid-side-chains-in-nanopores-1411.2054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entropy-and-enthalpy-of-interaction-between-amino-acid-side-chains-in-nanopores-1411.2054"/></url>
<url><loc>https://scifaro.com/en/abs/delayed-luminescence-induced-by-complex-domains-in-water-and-in-aqueous-solutions-1411.2221</loc><lastmod>2016-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/delayed-luminescence-induced-by-complex-domains-in-water-and-in-aqueous-solutions-1411.2221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/delayed-luminescence-induced-by-complex-domains-in-water-and-in-aqueous-solutions-1411.2221"/></url>
<url><loc>https://scifaro.com/en/abs/a-note-on-the-kinetics-of-diffusion-mediated-reactions-1411.2245</loc><lastmod>2014-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-note-on-the-kinetics-of-diffusion-mediated-reactions-1411.2245"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-note-on-the-kinetics-of-diffusion-mediated-reactions-1411.2245"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-gold-in-the-field-of-heterogeneous-catalysis-1411.2583</loc><lastmod>2014-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-gold-in-the-field-of-heterogeneous-catalysis-1411.2583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-gold-in-the-field-of-heterogeneous-catalysis-1411.2583"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-universality-parametrizing-ultracold-complex-mediated-reactions-using-statistical-assumptions-1411.2666</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-universality-parametrizing-ultracold-complex-mediated-reactions-using-statistical-assumptions-1411.2666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-universality-parametrizing-ultracold-complex-mediated-reactions-using-statistical-assumptions-1411.2666"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-equivalence-of-list-and-diis-methods-for-convergence-acceleration-1411.2992</loc><lastmod>2016-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-equivalence-of-list-and-diis-methods-for-convergence-acceleration-1411.2992"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-equivalence-of-list-and-diis-methods-for-convergence-acceleration-1411.2992"/></url>
<url><loc>https://scifaro.com/en/abs/probing-the-conformations-of-single-molecule-via-photon-counting-statistics-1411.3087</loc><lastmod>2014-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-the-conformations-of-single-molecule-via-photon-counting-statistics-1411.3087"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-the-conformations-of-single-molecule-via-photon-counting-statistics-1411.3087"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-equation-of-motion-coupled-cluster-method-for-the-ionization-problem-application-to-molecules-1411.3196</loc><lastmod>2015-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-equation-of-motion-coupled-cluster-method-for-the-ionization-problem-application-to-molecules-1411.3196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-equation-of-motion-coupled-cluster-method-for-the-ionization-problem-application-to-molecules-1411.3196"/></url>
<url><loc>https://scifaro.com/en/abs/intervalence-charge-transfer-luminescence-the-anomalous-luminescence-of-cerium-doped-cs2lilucl6-elpasolite-1411.3512</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intervalence-charge-transfer-luminescence-the-anomalous-luminescence-of-cerium-doped-cs2lilucl6-elpasolite-1411.3512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intervalence-charge-transfer-luminescence-the-anomalous-luminescence-of-cerium-doped-cs2lilucl6-elpasolite-1411.3512"/></url>
<url><loc>https://scifaro.com/en/abs/why-quantum-coherence-is-not-important-in-the-fenna-matthews-olsen-complex-1411.3654</loc><lastmod>2014-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/why-quantum-coherence-is-not-important-in-the-fenna-matthews-olsen-complex-1411.3654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/why-quantum-coherence-is-not-important-in-the-fenna-matthews-olsen-complex-1411.3654"/></url>
<url><loc>https://scifaro.com/en/abs/a-consistent-hierarchy-of-generalized-kinetic-equation-approximations-to-the-chemical-master-equation-applied-to-surface-catalysis-1411.3696</loc><lastmod>2015-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-consistent-hierarchy-of-generalized-kinetic-equation-approximations-to-the-chemical-master-equation-applied-to-surface-catalysis-1411.3696"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-consistent-hierarchy-of-generalized-kinetic-equation-approximations-to-the-chemical-master-equation-applied-to-surface-catalysis-1411.3696"/></url>
<url><loc>https://scifaro.com/en/abs/kohn-sham-kinetic-energy-density-in-the-nuclear-and-asymptotic-regions-deviations-from-the-von-weizs-acker-behavior-and-applications-to-density-functionals-1411.3804</loc><lastmod>2015-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kohn-sham-kinetic-energy-density-in-the-nuclear-and-asymptotic-regions-deviations-from-the-von-weizs-acker-behavior-and-applications-to-density-functionals-1411.3804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kohn-sham-kinetic-energy-density-in-the-nuclear-and-asymptotic-regions-deviations-from-the-von-weizs-acker-behavior-and-applications-to-density-functionals-1411.3804"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-model-for-exploring-the-role-of-quantum-coherence-and-the-environment-in-excitonic-energy-transfer-1411.4376</loc><lastmod>2015-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-model-for-exploring-the-role-of-quantum-coherence-and-the-environment-in-excitonic-energy-transfer-1411.4376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-model-for-exploring-the-role-of-quantum-coherence-and-the-environment-in-excitonic-energy-transfer-1411.4376"/></url>
<url><loc>https://scifaro.com/en/abs/intervalence-charge-transfer-luminescence-interplay-between-anomalous-and-5d-4f-emissions-in-yb-doped-fluorite-type-crystals-1411.5936</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intervalence-charge-transfer-luminescence-interplay-between-anomalous-and-5d-4f-emissions-in-yb-doped-fluorite-type-crystals-1411.5936"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intervalence-charge-transfer-luminescence-interplay-between-anomalous-and-5d-4f-emissions-in-yb-doped-fluorite-type-crystals-1411.5936"/></url>
<url><loc>https://scifaro.com/en/abs/a-semiclassical-non-adiabatic-theory-for-elementary-chemical-reactions-1411.5989</loc><lastmod>2014-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-semiclassical-non-adiabatic-theory-for-elementary-chemical-reactions-1411.5989"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-semiclassical-non-adiabatic-theory-for-elementary-chemical-reactions-1411.5989"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-variation-perturbation-method-for-calculating-rovibrational-energy-levels-of-polyatomic-molecules-1411.6098</loc><lastmod>2015-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-variation-perturbation-method-for-calculating-rovibrational-energy-levels-of-polyatomic-molecules-1411.6098"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-variation-perturbation-method-for-calculating-rovibrational-energy-levels-of-polyatomic-molecules-1411.6098"/></url>
<url><loc>https://scifaro.com/en/abs/the-cc-pv5z-f12-basis-set-reaching-the-basis-set-limit-in-explicitly-correlated-calculations-1411.6827</loc><lastmod>2015-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-cc-pv5z-f12-basis-set-reaching-the-basis-set-limit-in-explicitly-correlated-calculations-1411.6827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-cc-pv5z-f12-basis-set-reaching-the-basis-set-limit-in-explicitly-correlated-calculations-1411.6827"/></url>
<url><loc>https://scifaro.com/en/abs/the-joint-center-for-energy-storage-research-a-new-paradigm-for-battery-research-and-development-1411.7042</loc><lastmod>2015-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-joint-center-for-energy-storage-research-a-new-paradigm-for-battery-research-and-development-1411.7042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-joint-center-for-energy-storage-research-a-new-paradigm-for-battery-research-and-development-1411.7042"/></url>
<url><loc>https://scifaro.com/en/abs/a-novel-dissipation-property-of-the-master-equation-1411.7114</loc><lastmod>2015-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-novel-dissipation-property-of-the-master-equation-1411.7114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-novel-dissipation-property-of-the-master-equation-1411.7114"/></url>
<url><loc>https://scifaro.com/en/abs/levy-lieb-principle-the-bridge-between-the-electron-density-of-density-functional-theory-and-the-wavefunction-of-quantum-monte-carlo-1411.7535</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/levy-lieb-principle-the-bridge-between-the-electron-density-of-density-functional-theory-and-the-wavefunction-of-quantum-monte-carlo-1411.7535"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/levy-lieb-principle-the-bridge-between-the-electron-density-of-density-functional-theory-and-the-wavefunction-of-quantum-monte-carlo-1411.7535"/></url>
<url><loc>https://scifaro.com/en/abs/taming-l-evy-flights-in-confined-crowded-geometries-1411.7822</loc><lastmod>2020-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/taming-l-evy-flights-in-confined-crowded-geometries-1411.7822"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/taming-l-evy-flights-in-confined-crowded-geometries-1411.7822"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-spectroscopy-in-time-dependent-density-functional-theory-an-exact-condition-1412.0586</loc><lastmod>2015-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-spectroscopy-in-time-dependent-density-functional-theory-an-exact-condition-1412.0586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-spectroscopy-in-time-dependent-density-functional-theory-an-exact-condition-1412.0586"/></url>
<url><loc>https://scifaro.com/en/abs/libcint-an-efficient-general-integral-library-for-gaussian-basis-functions-1412.0649</loc><lastmod>2014-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/libcint-an-efficient-general-integral-library-for-gaussian-basis-functions-1412.0649"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/libcint-an-efficient-general-integral-library-for-gaussian-basis-functions-1412.0649"/></url>
<url><loc>https://scifaro.com/en/abs/basis-functions-for-electronic-structure-calculations-on-spheres-1412.0702</loc><lastmod>2015-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/basis-functions-for-electronic-structure-calculations-on-spheres-1412.0702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/basis-functions-for-electronic-structure-calculations-on-spheres-1412.0702"/></url>
<url><loc>https://scifaro.com/en/abs/behavior-of-hydrophobic-ionic-liquids-as-liquid-membranes-on-phenol-removal-experimental-study-and-optimization-1412.1063</loc><lastmod>2014-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/behavior-of-hydrophobic-ionic-liquids-as-liquid-membranes-on-phenol-removal-experimental-study-and-optimization-1412.1063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/behavior-of-hydrophobic-ionic-liquids-as-liquid-membranes-on-phenol-removal-experimental-study-and-optimization-1412.1063"/></url>
<url><loc>https://scifaro.com/en/abs/performance-evaluation-of-organic-emulsion-liquid-membrane-on-phenol-removal-1412.1065</loc><lastmod>2014-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-evaluation-of-organic-emulsion-liquid-membrane-on-phenol-removal-1412.1065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-evaluation-of-organic-emulsion-liquid-membrane-on-phenol-removal-1412.1065"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-configuration-interaction-calculation-on-the-ground-and-excited-states-of-iridium-monoxide-1412.1206</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-configuration-interaction-calculation-on-the-ground-and-excited-states-of-iridium-monoxide-1412.1206"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-configuration-interaction-calculation-on-the-ground-and-excited-states-of-iridium-monoxide-1412.1206"/></url>
<url><loc>https://scifaro.com/en/abs/transformation-pathways-in-high-pressure-solid-nitrogen-from-molecular-n-2-to-polymeric-cg-n-1412.1246</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transformation-pathways-in-high-pressure-solid-nitrogen-from-molecular-n-2-to-polymeric-cg-n-1412.1246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transformation-pathways-in-high-pressure-solid-nitrogen-from-molecular-n-2-to-polymeric-cg-n-1412.1246"/></url>
<url><loc>https://scifaro.com/en/abs/probing-chirality-fluctuations-in-molecules-by-nonlinear-optical-spectroscopy-1412.1263</loc><lastmod>2014-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-chirality-fluctuations-in-molecules-by-nonlinear-optical-spectroscopy-1412.1263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-chirality-fluctuations-in-molecules-by-nonlinear-optical-spectroscopy-1412.1263"/></url>
<url><loc>https://scifaro.com/en/abs/high-order-harmonic-spectroscopy-for-molecular-imaging-of-polyatomic-molecules-1412.1300</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-order-harmonic-spectroscopy-for-molecular-imaging-of-polyatomic-molecules-1412.1300"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-order-harmonic-spectroscopy-for-molecular-imaging-of-polyatomic-molecules-1412.1300"/></url>
<url><loc>https://scifaro.com/en/abs/direct-path-integral-estimators-for-isotope-fractionation-ratios-1412.1308</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-path-integral-estimators-for-isotope-fractionation-ratios-1412.1308"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-path-integral-estimators-for-isotope-fractionation-ratios-1412.1308"/></url>
<url><loc>https://scifaro.com/en/abs/heterogeneous-electrocatalysis-in-porous-cathodes-of-solid-oxide-fuel-cells-1412.1548</loc><lastmod>2014-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heterogeneous-electrocatalysis-in-porous-cathodes-of-solid-oxide-fuel-cells-1412.1548"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heterogeneous-electrocatalysis-in-porous-cathodes-of-solid-oxide-fuel-cells-1412.1548"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-applicability-of-the-caldeira-leggett-model-to-condensed-phase-vibrational-spectroscopy-1412.1688</loc><lastmod>2015-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-applicability-of-the-caldeira-leggett-model-to-condensed-phase-vibrational-spectroscopy-1412.1688"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-applicability-of-the-caldeira-leggett-model-to-condensed-phase-vibrational-spectroscopy-1412.1688"/></url>
<url><loc>https://scifaro.com/en/abs/a-multipoint-method-for-approximation-of-wavefunctions-at-a-mesoscopic-scale-1412.1882</loc><lastmod>2014-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multipoint-method-for-approximation-of-wavefunctions-at-a-mesoscopic-scale-1412.1882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multipoint-method-for-approximation-of-wavefunctions-at-a-mesoscopic-scale-1412.1882"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-description-of-a-rotating-and-vibrating-molecule-1412.2119</loc><lastmod>2015-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-description-of-a-rotating-and-vibrating-molecule-1412.2119"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-description-of-a-rotating-and-vibrating-molecule-1412.2119"/></url>
<url><loc>https://scifaro.com/en/abs/monte-carlo-simulations-of-spin-crossover-phenomena-based-on-a-vibronic-ising-like-model-with-realistic-parameters-1412.2236</loc><lastmod>2022-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monte-carlo-simulations-of-spin-crossover-phenomena-based-on-a-vibronic-ising-like-model-with-realistic-parameters-1412.2236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monte-carlo-simulations-of-spin-crossover-phenomena-based-on-a-vibronic-ising-like-model-with-realistic-parameters-1412.2236"/></url>
<url><loc>https://scifaro.com/en/abs/adaptive-resolution-simulation-in-equilibrium-and-beyond-1412.2340</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adaptive-resolution-simulation-in-equilibrium-and-beyond-1412.2340"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adaptive-resolution-simulation-in-equilibrium-and-beyond-1412.2340"/></url>
<url><loc>https://scifaro.com/en/abs/basis-convergence-of-range-separated-density-functional-theory-1412.2613</loc><lastmod>2015-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/basis-convergence-of-range-separated-density-functional-theory-1412.2613"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/basis-convergence-of-range-separated-density-functional-theory-1412.2613"/></url>
<url><loc>https://scifaro.com/en/abs/theoretic-insight-into-co2-reduction-at-active-sites-of-molybdenum-and-tungsten-enzymes-a-pi-interaction-between-co2-and-tungsten-bis-dithiolene-complexes-1412.2655</loc><lastmod>2014-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretic-insight-into-co2-reduction-at-active-sites-of-molybdenum-and-tungsten-enzymes-a-pi-interaction-between-co2-and-tungsten-bis-dithiolene-complexes-1412.2655"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretic-insight-into-co2-reduction-at-active-sites-of-molybdenum-and-tungsten-enzymes-a-pi-interaction-between-co2-and-tungsten-bis-dithiolene-complexes-1412.2655"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-implementation-of-the-localized-operator-partitioning-method-for-electronic-energy-transfer-1412.2829</loc><lastmod>2016-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-implementation-of-the-localized-operator-partitioning-method-for-electronic-energy-transfer-1412.2829"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-implementation-of-the-localized-operator-partitioning-method-for-electronic-energy-transfer-1412.2829"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-molecular-dynamics-simulation-of-liquid-water-by-quantum-monte-carlo-1412.2936</loc><lastmod>2015-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-simulation-of-liquid-water-by-quantum-monte-carlo-1412.2936"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-simulation-of-liquid-water-by-quantum-monte-carlo-1412.2936"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-nuclear-dynamics-of-the-ammonia-cation-studied-by-surface-hopping-classical-trajectory-calculations-1412.3047</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-nuclear-dynamics-of-the-ammonia-cation-studied-by-surface-hopping-classical-trajectory-calculations-1412.3047"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-nuclear-dynamics-of-the-ammonia-cation-studied-by-surface-hopping-classical-trajectory-calculations-1412.3047"/></url>
<url><loc>https://scifaro.com/en/abs/fermi-orbital-derivatives-in-self-interaction-corrected-density-functional-theory-applications-to-closed-shell-atoms-1412.3101</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fermi-orbital-derivatives-in-self-interaction-corrected-density-functional-theory-applications-to-closed-shell-atoms-1412.3101"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fermi-orbital-derivatives-in-self-interaction-corrected-density-functional-theory-applications-to-closed-shell-atoms-1412.3101"/></url>
<url><loc>https://scifaro.com/en/abs/single-enzyme-kinetics-with-branched-pathways-exact-theory-and-series-expansion-1412.3196</loc><lastmod>2014-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/single-enzyme-kinetics-with-branched-pathways-exact-theory-and-series-expansion-1412.3196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/single-enzyme-kinetics-with-branched-pathways-exact-theory-and-series-expansion-1412.3196"/></url>
<url><loc>https://scifaro.com/en/abs/m-o-ssbauer-characterization-of-an-unusual-high-spin-side-on-peroxo-fe3-species-in-the-active-site-of-superoxide-reductase-from-desulfoarculus-baarsii-density-functional-calculations-on-related-models-1412.3293</loc><lastmod>2014-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/m-o-ssbauer-characterization-of-an-unusual-high-spin-side-on-peroxo-fe3-species-in-the-active-site-of-superoxide-reductase-from-desulfoarculus-baarsii-density-functional-calculations-on-related-models-1412.3293"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/m-o-ssbauer-characterization-of-an-unusual-high-spin-side-on-peroxo-fe3-species-in-the-active-site-of-superoxide-reductase-from-desulfoarculus-baarsii-density-functional-calculations-on-related-models-1412.3293"/></url>
<url><loc>https://scifaro.com/en/abs/lifetimes-of-vibro-rotational-levels-for-excited-electronic-states-of-the-diatomic-hydrogen-isotopologues-1412.3396</loc><lastmod>2014-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lifetimes-of-vibro-rotational-levels-for-excited-electronic-states-of-the-diatomic-hydrogen-isotopologues-1412.3396"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lifetimes-of-vibro-rotational-levels-for-excited-electronic-states-of-the-diatomic-hydrogen-isotopologues-1412.3396"/></url>
<url><loc>https://scifaro.com/en/abs/site-dependence-of-van-der-waals-interaction-explains-exciton-spectra-of-double-walled-tubular-j-aggregates-1412.3554</loc><lastmod>2015-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/site-dependence-of-van-der-waals-interaction-explains-exciton-spectra-of-double-walled-tubular-j-aggregates-1412.3554"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/site-dependence-of-van-der-waals-interaction-explains-exciton-spectra-of-double-walled-tubular-j-aggregates-1412.3554"/></url>
<url><loc>https://scifaro.com/en/abs/excited-states-from-range-separated-density-functional-perturbation-theory-1412.3915</loc><lastmod>2014-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-states-from-range-separated-density-functional-perturbation-theory-1412.3915"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-states-from-range-separated-density-functional-perturbation-theory-1412.3915"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-energies-along-a-range-separated-adiabatic-connection-1412.3920</loc><lastmod>2014-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-energies-along-a-range-separated-adiabatic-connection-1412.3920"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-energies-along-a-range-separated-adiabatic-connection-1412.3920"/></url>
<url><loc>https://scifaro.com/en/abs/polylogarithmic-representation-of-radiative-and-thermodynamic-properties-of-thermal-radiation-in-a-given-spectral-range-i-blackbody-radiation-1412.4116</loc><lastmod>2014-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polylogarithmic-representation-of-radiative-and-thermodynamic-properties-of-thermal-radiation-in-a-given-spectral-range-i-blackbody-radiation-1412.4116"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polylogarithmic-representation-of-radiative-and-thermodynamic-properties-of-thermal-radiation-in-a-given-spectral-range-i-blackbody-radiation-1412.4116"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-light-harvesting-power-with-coherent-vibrational-interactions-a-quantum-heat-engine-picture-1412.4136</loc><lastmod>2015-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-light-harvesting-power-with-coherent-vibrational-interactions-a-quantum-heat-engine-picture-1412.4136"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-light-harvesting-power-with-coherent-vibrational-interactions-a-quantum-heat-engine-picture-1412.4136"/></url>
<url><loc>https://scifaro.com/en/abs/a-parallel-multistate-framework-for-atomistic-non-equilibrium-reaction-dynamics-of-solutes-in-strongly-interacting-organic-solvents-1412.4180</loc><lastmod>2019-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-parallel-multistate-framework-for-atomistic-non-equilibrium-reaction-dynamics-of-solutes-in-strongly-interacting-organic-solvents-1412.4180"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-parallel-multistate-framework-for-atomistic-non-equilibrium-reaction-dynamics-of-solutes-in-strongly-interacting-organic-solvents-1412.4180"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-the-molecular-integrals-with-the-range-separated-correlation-factor-1412.5070</loc><lastmod>2015-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-the-molecular-integrals-with-the-range-separated-correlation-factor-1412.5070"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-the-molecular-integrals-with-the-range-separated-correlation-factor-1412.5070"/></url>
<url><loc>https://scifaro.com/en/abs/design-of-a-robust-superhydrophobic-surface-thermodynamic-and-kinetic-analysis-1412.5269</loc><lastmod>2014-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/design-of-a-robust-superhydrophobic-surface-thermodynamic-and-kinetic-analysis-1412.5269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/design-of-a-robust-superhydrophobic-surface-thermodynamic-and-kinetic-analysis-1412.5269"/></url>
<url><loc>https://scifaro.com/en/abs/tensor-product-methods-and-entanglement-optimization-for-ab-initio-quantum-chemistry-1412.5829</loc><lastmod>2015-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tensor-product-methods-and-entanglement-optimization-for-ab-initio-quantum-chemistry-1412.5829"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tensor-product-methods-and-entanglement-optimization-for-ab-initio-quantum-chemistry-1412.5829"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-calculation-of-dipole-moments-and-transition-dipole-moments-of-hcl-and-hbr-molecular-ions-1412.5999</loc><lastmod>2014-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-calculation-of-dipole-moments-and-transition-dipole-moments-of-hcl-and-hbr-molecular-ions-1412.5999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-calculation-of-dipole-moments-and-transition-dipole-moments-of-hcl-and-hbr-molecular-ions-1412.5999"/></url>
<url><loc>https://scifaro.com/en/abs/reversing-ostwald-ripening-1412.6280</loc><lastmod>2014-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reversing-ostwald-ripening-1412.6280"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reversing-ostwald-ripening-1412.6280"/></url>
<url><loc>https://scifaro.com/en/abs/on-transition-metal-catalyzed-reduction-of-n-nitrosodimethlamine-1412.6584</loc><lastmod>2014-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-transition-metal-catalyzed-reduction-of-n-nitrosodimethlamine-1412.6584"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-transition-metal-catalyzed-reduction-of-n-nitrosodimethlamine-1412.6584"/></url>
<url><loc>https://scifaro.com/en/abs/a-hybrid-variational-perturbation-calculation-of-the-ro-vibrational-spectrum-of-nitric-acid-1412.6744</loc><lastmod>2015-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-hybrid-variational-perturbation-calculation-of-the-ro-vibrational-spectrum-of-nitric-acid-1412.6744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-hybrid-variational-perturbation-calculation-of-the-ro-vibrational-spectrum-of-nitric-acid-1412.6744"/></url>
<url><loc>https://scifaro.com/en/abs/charge-regulation-in-ionic-solutions-thermal-fluctuations-and-kirkwood-schumaker-interaction-1412.6817</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-regulation-in-ionic-solutions-thermal-fluctuations-and-kirkwood-schumaker-interaction-1412.6817"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-regulation-in-ionic-solutions-thermal-fluctuations-and-kirkwood-schumaker-interaction-1412.6817"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-ferro-and-antiferromagnetic-interactions-in-metal-organic-coordination-networks-1412.6898</loc><lastmod>2014-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-ferro-and-antiferromagnetic-interactions-in-metal-organic-coordination-networks-1412.6898"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-ferro-and-antiferromagnetic-interactions-in-metal-organic-coordination-networks-1412.6898"/></url>
<url><loc>https://scifaro.com/en/abs/where-to-place-the-positive-muon-in-the-periodic-table-1412.7080</loc><lastmod>2015-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/where-to-place-the-positive-muon-in-the-periodic-table-1412.7080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/where-to-place-the-positive-muon-in-the-periodic-table-1412.7080"/></url>
<url><loc>https://scifaro.com/en/abs/structural-transformation-between-long-and-short-chain-form-of-liquid-sulfur-from-textit-ab-initio-molecular-dynamics-1412.7220</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-transformation-between-long-and-short-chain-form-of-liquid-sulfur-from-textit-ab-initio-molecular-dynamics-1412.7220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-transformation-between-long-and-short-chain-form-of-liquid-sulfur-from-textit-ab-initio-molecular-dynamics-1412.7220"/></url>
<url><loc>https://scifaro.com/en/abs/graph-theoretical-approach-to-evaluate-molecular-interactions-in-crystal-1412.7614</loc><lastmod>2015-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graph-theoretical-approach-to-evaluate-molecular-interactions-in-crystal-1412.7614"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graph-theoretical-approach-to-evaluate-molecular-interactions-in-crystal-1412.7614"/></url>
<url><loc>https://scifaro.com/en/abs/modified-bloch-redfield-master-equation-for-incoherent-excitation-of-multilevel-quantum-systems-1412.7807</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modified-bloch-redfield-master-equation-for-incoherent-excitation-of-multilevel-quantum-systems-1412.7807"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modified-bloch-redfield-master-equation-for-incoherent-excitation-of-multilevel-quantum-systems-1412.7807"/></url>
<url><loc>https://scifaro.com/en/abs/competitive-solvation-of-the-imidazolium-cation-by-water-and-methanol-1412.8620</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/competitive-solvation-of-the-imidazolium-cation-by-water-and-methanol-1412.8620"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/competitive-solvation-of-the-imidazolium-cation-by-water-and-methanol-1412.8620"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-the-occurrence-of-supercooling-of-water-1412.8683</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-the-occurrence-of-supercooling-of-water-1412.8683"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-the-occurrence-of-supercooling-of-water-1412.8683"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-delocalization-of-protons-in-the-hydrogen-bond-network-of-an-enzyme-active-site-1501.00241</loc><lastmod>2015-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-delocalization-of-protons-in-the-hydrogen-bond-network-of-an-enzyme-active-site-1501.00241"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-delocalization-of-protons-in-the-hydrogen-bond-network-of-an-enzyme-active-site-1501.00241"/></url>
<url><loc>https://scifaro.com/en/abs/morse-bifurcations-of-transition-states-in-bimolecular-reactions-1501.00266</loc><lastmod>2015-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/morse-bifurcations-of-transition-states-in-bimolecular-reactions-1501.00266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/morse-bifurcations-of-transition-states-in-bimolecular-reactions-1501.00266"/></url>
<url><loc>https://scifaro.com/en/abs/the-ch3choo-criegee-intermediate-and-its-anion-isomers-infrared-spectra-and-w3-f12-energetics-1501.00353</loc><lastmod>2015-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-ch3choo-criegee-intermediate-and-its-anion-isomers-infrared-spectra-and-w3-f12-energetics-1501.00353"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-ch3choo-criegee-intermediate-and-its-anion-isomers-infrared-spectra-and-w3-f12-energetics-1501.00353"/></url>
<url><loc>https://scifaro.com/en/abs/non-newtonian-behavior-and-molecular-structure-of-cooee-bitumen-under-shear-flow-a-non-equilibrium-molecular-dynamics-study-1501.00564</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-newtonian-behavior-and-molecular-structure-of-cooee-bitumen-under-shear-flow-a-non-equilibrium-molecular-dynamics-study-1501.00564"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-newtonian-behavior-and-molecular-structure-of-cooee-bitumen-under-shear-flow-a-non-equilibrium-molecular-dynamics-study-1501.00564"/></url>
<url><loc>https://scifaro.com/en/abs/conservation-laws-radiative-decay-rates-and-excited-state-localization-in-organometallic-complexes-with-strong-spin-orbit-coupling-1501.00737</loc><lastmod>2016-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conservation-laws-radiative-decay-rates-and-excited-state-localization-in-organometallic-complexes-with-strong-spin-orbit-coupling-1501.00737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conservation-laws-radiative-decay-rates-and-excited-state-localization-in-organometallic-complexes-with-strong-spin-orbit-coupling-1501.00737"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-extended-coupled-cluster-method-for-magnetic-hyperfine-structure-constant-1501.00873</loc><lastmod>2015-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-extended-coupled-cluster-method-for-magnetic-hyperfine-structure-constant-1501.00873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-extended-coupled-cluster-method-for-magnetic-hyperfine-structure-constant-1501.00873"/></url>
<url><loc>https://scifaro.com/en/abs/visible-line-intensities-of-the-triatomic-hydrogen-ion-from-experiment-and-theory-1501.00896</loc><lastmod>2015-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visible-line-intensities-of-the-triatomic-hydrogen-ion-from-experiment-and-theory-1501.00896"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visible-line-intensities-of-the-triatomic-hydrogen-ion-from-experiment-and-theory-1501.00896"/></url>
<url><loc>https://scifaro.com/en/abs/the-different-facets-of-ice-have-different-hydrophilicities-friction-at-water-ice-i-mathrm-h-interfaces-1501.01056</loc><lastmod>2015-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-different-facets-of-ice-have-different-hydrophilicities-friction-at-water-ice-i-mathrm-h-interfaces-1501.01056"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-different-facets-of-ice-have-different-hydrophilicities-friction-at-water-ice-i-mathrm-h-interfaces-1501.01056"/></url>
<url><loc>https://scifaro.com/en/abs/coherence-and-population-dynamics-of-chlorophyll-excitations-in-fcp-complex-two-dimensional-spectroscopy-study-1501.01192</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherence-and-population-dynamics-of-chlorophyll-excitations-in-fcp-complex-two-dimensional-spectroscopy-study-1501.01192"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherence-and-population-dynamics-of-chlorophyll-excitations-in-fcp-complex-two-dimensional-spectroscopy-study-1501.01192"/></url>
<url><loc>https://scifaro.com/en/abs/thread-bonds-in-molecules-1501.01213</loc><lastmod>2015-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thread-bonds-in-molecules-1501.01213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thread-bonds-in-molecules-1501.01213"/></url>
<url><loc>https://scifaro.com/en/abs/detoxification-of-superoxide-without-production-of-h2o2-antioxidant-activity-of-superoxide-reductase-complexed-with-ferrocyanide-1501.01439</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detoxification-of-superoxide-without-production-of-h2o2-antioxidant-activity-of-superoxide-reductase-complexed-with-ferrocyanide-1501.01439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detoxification-of-superoxide-without-production-of-h2o2-antioxidant-activity-of-superoxide-reductase-complexed-with-ferrocyanide-1501.01439"/></url>
<url><loc>https://scifaro.com/en/abs/superoxide-reductase-from-desulfoarculus-baarsii-reaction-mechanism-and-role-of-glutamate-47-and-lysine-48-in-catalysis-1501.01442</loc><lastmod>2015-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/superoxide-reductase-from-desulfoarculus-baarsii-reaction-mechanism-and-role-of-glutamate-47-and-lysine-48-in-catalysis-1501.01442"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/superoxide-reductase-from-desulfoarculus-baarsii-reaction-mechanism-and-role-of-glutamate-47-and-lysine-48-in-catalysis-1501.01442"/></url>
<url><loc>https://scifaro.com/en/abs/pulse-radiolysis-studies-on-superoxide-reductase-from-treponema-pallidum-1501.01443</loc><lastmod>2015-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pulse-radiolysis-studies-on-superoxide-reductase-from-treponema-pallidum-1501.01443"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pulse-radiolysis-studies-on-superoxide-reductase-from-treponema-pallidum-1501.01443"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-stability-and-long-term-hydrogen-deuterium-release-from-soft-to-hard-amorphous-carbon-layers-analyzed-using-in-situ-raman-spectroscopy-comparison-with-tore-supra-deposits-1501.01464</loc><lastmod>2015-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-stability-and-long-term-hydrogen-deuterium-release-from-soft-to-hard-amorphous-carbon-layers-analyzed-using-in-situ-raman-spectroscopy-comparison-with-tore-supra-deposits-1501.01464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-stability-and-long-term-hydrogen-deuterium-release-from-soft-to-hard-amorphous-carbon-layers-analyzed-using-in-situ-raman-spectroscopy-comparison-with-tore-supra-deposits-1501.01464"/></url>
<url><loc>https://scifaro.com/en/abs/identification-of-iron-iii-peroxo-species-in-the-active-site-of-the-superoxide-reductase-sor-from-desulfoarculus-baarsii-1501.01470</loc><lastmod>2015-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-of-iron-iii-peroxo-species-in-the-active-site-of-the-superoxide-reductase-sor-from-desulfoarculus-baarsii-1501.01470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-of-iron-iii-peroxo-species-in-the-active-site-of-the-superoxide-reductase-sor-from-desulfoarculus-baarsii-1501.01470"/></url>
<url><loc>https://scifaro.com/en/abs/free-energy-calculation-of-a-molecule-by-removing-vdw-and-coulomb-interactions-in-a-transformation-and-treating-the-molecule-as-non-interacting-systems-1501.01514</loc><lastmod>2015-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/free-energy-calculation-of-a-molecule-by-removing-vdw-and-coulomb-interactions-in-a-transformation-and-treating-the-molecule-as-non-interacting-systems-1501.01514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/free-energy-calculation-of-a-molecule-by-removing-vdw-and-coulomb-interactions-in-a-transformation-and-treating-the-molecule-as-non-interacting-systems-1501.01514"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-mode-analysis-of-void-induced-coronene-as-a-possible-carrier-of-the-astronomical-aromatic-infrared-bands-1501.01716</loc><lastmod>2015-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-mode-analysis-of-void-induced-coronene-as-a-possible-carrier-of-the-astronomical-aromatic-infrared-bands-1501.01716"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-mode-analysis-of-void-induced-coronene-as-a-possible-carrier-of-the-astronomical-aromatic-infrared-bands-1501.01716"/></url>
<url><loc>https://scifaro.com/en/abs/global-hybrids-from-the-semiclassical-atom-theory-satisfying-the-local-density-linear-response-1501.01760</loc><lastmod>2015-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/global-hybrids-from-the-semiclassical-atom-theory-satisfying-the-local-density-linear-response-1501.01760"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/global-hybrids-from-the-semiclassical-atom-theory-satisfying-the-local-density-linear-response-1501.01760"/></url>
<url><loc>https://scifaro.com/en/abs/problem-free-time-dependent-variational-principle-for-open-quantum-systems-1501.02025</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/problem-free-time-dependent-variational-principle-for-open-quantum-systems-1501.02025"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/problem-free-time-dependent-variational-principle-for-open-quantum-systems-1501.02025"/></url>
<url><loc>https://scifaro.com/en/abs/coulomb-crystal-mass-spectrometry-in-a-digital-ion-trap-1501.02207</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coulomb-crystal-mass-spectrometry-in-a-digital-ion-trap-1501.02207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coulomb-crystal-mass-spectrometry-in-a-digital-ion-trap-1501.02207"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-states-of-the-triplet-electronic-state-of-h3-the-role-of-non-adiabatic-coupling-and-geometrical-phase-1501.02279</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-states-of-the-triplet-electronic-state-of-h3-the-role-of-non-adiabatic-coupling-and-geometrical-phase-1501.02279"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-states-of-the-triplet-electronic-state-of-h3-the-role-of-non-adiabatic-coupling-and-geometrical-phase-1501.02279"/></url>
<url><loc>https://scifaro.com/en/abs/nanohybrids-from-nanotubular-j-aggregates-and-transparent-silica-nanoshells-1501.02367</loc><lastmod>2015-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanohybrids-from-nanotubular-j-aggregates-and-transparent-silica-nanoshells-1501.02367"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanohybrids-from-nanotubular-j-aggregates-and-transparent-silica-nanoshells-1501.02367"/></url>
<url><loc>https://scifaro.com/en/abs/dielectric-anomalies-in-crystalline-ice-indirect-evidence-of-the-existence-of-a-liquid-liquid-critical-point-in-h2o-1501.02380</loc><lastmod>2015-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dielectric-anomalies-in-crystalline-ice-indirect-evidence-of-the-existence-of-a-liquid-liquid-critical-point-in-h2o-1501.02380"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dielectric-anomalies-in-crystalline-ice-indirect-evidence-of-the-existence-of-a-liquid-liquid-critical-point-in-h2o-1501.02380"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-total-quasi-steady-state-approximation-for-the-michaelis-menten-scheme-1501.02392</loc><lastmod>2015-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-total-quasi-steady-state-approximation-for-the-michaelis-menten-scheme-1501.02392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-total-quasi-steady-state-approximation-for-the-michaelis-menten-scheme-1501.02392"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-theory-and-the-effects-of-solute-attractive-forces-on-hydrophobic-interactions-1501.02495</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-theory-and-the-effects-of-solute-attractive-forces-on-hydrophobic-interactions-1501.02495"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-theory-and-the-effects-of-solute-attractive-forces-on-hydrophobic-interactions-1501.02495"/></url>
<url><loc>https://scifaro.com/en/abs/automatic-code-generation-enables-nuclear-gradient-computations-for-fully-internally-contracted-multireference-theory-1501.02780</loc><lastmod>2015-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automatic-code-generation-enables-nuclear-gradient-computations-for-fully-internally-contracted-multireference-theory-1501.02780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automatic-code-generation-enables-nuclear-gradient-computations-for-fully-internally-contracted-multireference-theory-1501.02780"/></url>
<url><loc>https://scifaro.com/en/abs/nucleation-growth-and-dissolution-of-ag-nanostructures-formed-in-nanotubular-j-aggregates-of-amphiphilic-cyanine-dyes-1501.02789</loc><lastmod>2015-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nucleation-growth-and-dissolution-of-ag-nanostructures-formed-in-nanotubular-j-aggregates-of-amphiphilic-cyanine-dyes-1501.02789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nucleation-growth-and-dissolution-of-ag-nanostructures-formed-in-nanotubular-j-aggregates-of-amphiphilic-cyanine-dyes-1501.02789"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-nonadiabatic-quantum-dynamics-on-the-cheap-making-the-most-of-mean-field-theory-with-master-equations-1501.03147</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-nonadiabatic-quantum-dynamics-on-the-cheap-making-the-most-of-mean-field-theory-with-master-equations-1501.03147"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-nonadiabatic-quantum-dynamics-on-the-cheap-making-the-most-of-mean-field-theory-with-master-equations-1501.03147"/></url>
<url><loc>https://scifaro.com/en/abs/nature-of-the-frequency-shift-of-hydrogen-valence-vibrations-1501.03369</loc><lastmod>2017-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nature-of-the-frequency-shift-of-hydrogen-valence-vibrations-1501.03369"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nature-of-the-frequency-shift-of-hydrogen-valence-vibrations-1501.03369"/></url>
<url><loc>https://scifaro.com/en/abs/directional-properties-of-polar-paramagnetic-molecules-subject-to-congruent-electric-magnetic-and-optical-fields-1501.03702</loc><lastmod>2016-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/directional-properties-of-polar-paramagnetic-molecules-subject-to-congruent-electric-magnetic-and-optical-fields-1501.03702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/directional-properties-of-polar-paramagnetic-molecules-subject-to-congruent-electric-magnetic-and-optical-fields-1501.03702"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-radiative-electron-attachment-to-cn-c2h-and-c4h-radicals-1501.03778</loc><lastmod>2015-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-radiative-electron-attachment-to-cn-c2h-and-c4h-radicals-1501.03778"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-radiative-electron-attachment-to-cn-c2h-and-c4h-radicals-1501.03778"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-chemical-accuracy-the-pseudopotential-approximation-in-diffusion-monte-carlo-calculations-of-the-hcp-to-bcc-phase-transition-in-beryllium-1501.03850</loc><lastmod>2015-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-chemical-accuracy-the-pseudopotential-approximation-in-diffusion-monte-carlo-calculations-of-the-hcp-to-bcc-phase-transition-in-beryllium-1501.03850"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-chemical-accuracy-the-pseudopotential-approximation-in-diffusion-monte-carlo-calculations-of-the-hcp-to-bcc-phase-transition-in-beryllium-1501.03850"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-binding-free-energies-in-solution-1501.04428</loc><lastmod>2015-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-binding-free-energies-in-solution-1501.04428"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-binding-free-energies-in-solution-1501.04428"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemical-study-of-the-electronic-properties-of-an-iridium-based-photosensitizer-bound-to-medium-sized-silver-clusters-1501.04492</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemical-study-of-the-electronic-properties-of-an-iridium-based-photosensitizer-bound-to-medium-sized-silver-clusters-1501.04492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemical-study-of-the-electronic-properties-of-an-iridium-based-photosensitizer-bound-to-medium-sized-silver-clusters-1501.04492"/></url>
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<url><loc>https://scifaro.com/en/abs/real-space-grids-and-the-octopus-code-as-tools-for-the-development-of-new-simulation-approaches-for-electronic-systems-1501.05654</loc><lastmod>2015-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-space-grids-and-the-octopus-code-as-tools-for-the-development-of-new-simulation-approaches-for-electronic-systems-1501.05654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-space-grids-and-the-octopus-code-as-tools-for-the-development-of-new-simulation-approaches-for-electronic-systems-1501.05654"/></url>
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<url><loc>https://scifaro.com/en/abs/sequential-decoupling-of-negative-energy-states-in-douglas-kroll-hess-theory-1501.05764</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sequential-decoupling-of-negative-energy-states-in-douglas-kroll-hess-theory-1501.05764"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sequential-decoupling-of-negative-energy-states-in-douglas-kroll-hess-theory-1501.05764"/></url>
<url><loc>https://scifaro.com/en/abs/measurement-of-untruncated-nuclear-spin-interactions-via-zero-to-ultra-low-field-nuclear-magnetic-resonance-1501.05768</loc><lastmod>2016-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurement-of-untruncated-nuclear-spin-interactions-via-zero-to-ultra-low-field-nuclear-magnetic-resonance-1501.05768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurement-of-untruncated-nuclear-spin-interactions-via-zero-to-ultra-low-field-nuclear-magnetic-resonance-1501.05768"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-range-separated-density-functional-theory-for-photocatalytic-water-splitting-systems-1501.05863</loc><lastmod>2015-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-range-separated-density-functional-theory-for-photocatalytic-water-splitting-systems-1501.05863"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-range-separated-density-functional-theory-for-photocatalytic-water-splitting-systems-1501.05863"/></url>
<url><loc>https://scifaro.com/en/abs/parallel-versus-off-pathway-michaelis-menten-mechanism-for-single-enzyme-kinetics-of-a-fluctuating-enzyme-1501.06144</loc><lastmod>2015-01-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parallel-versus-off-pathway-michaelis-menten-mechanism-for-single-enzyme-kinetics-of-a-fluctuating-enzyme-1501.06144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parallel-versus-off-pathway-michaelis-menten-mechanism-for-single-enzyme-kinetics-of-a-fluctuating-enzyme-1501.06144"/></url>
<url><loc>https://scifaro.com/en/abs/coupling-chemical-networks-to-hydrogels-controls-oscillatory-behavior-1501.06196</loc><lastmod>2015-01-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupling-chemical-networks-to-hydrogels-controls-oscillatory-behavior-1501.06196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupling-chemical-networks-to-hydrogels-controls-oscillatory-behavior-1501.06196"/></url>
<url><loc>https://scifaro.com/en/abs/theories-of-phosphorescence-in-organo-transition-metal-complexes-from-relativistic-effects-to-simple-models-and-design-principles-for-organic-light-emitting-diodes-1501.06333</loc><lastmod>2015-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theories-of-phosphorescence-in-organo-transition-metal-complexes-from-relativistic-effects-to-simple-models-and-design-principles-for-organic-light-emitting-diodes-1501.06333"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theories-of-phosphorescence-in-organo-transition-metal-complexes-from-relativistic-effects-to-simple-models-and-design-principles-for-organic-light-emitting-diodes-1501.06333"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-quantum-effects-in-water-exchange-around-lithium-and-fluoride-ions-1501.06592</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-quantum-effects-in-water-exchange-around-lithium-and-fluoride-ions-1501.06592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-quantum-effects-in-water-exchange-around-lithium-and-fluoride-ions-1501.06592"/></url>
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<url><loc>https://scifaro.com/en/abs/long-range-coherent-energy-transport-in-photosystem-ii-1501.06674</loc><lastmod>2016-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-coherent-energy-transport-in-photosystem-ii-1501.06674"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-coherent-energy-transport-in-photosystem-ii-1501.06674"/></url>
<url><loc>https://scifaro.com/en/abs/why-do-mixed-quantum-classical-methods-describe-short-time-dynamics-through-conical-intersections-so-well-analysis-of-geometric-phase-effects-1501.06816</loc><lastmod>2015-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/why-do-mixed-quantum-classical-methods-describe-short-time-dynamics-through-conical-intersections-so-well-analysis-of-geometric-phase-effects-1501.06816"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/why-do-mixed-quantum-classical-methods-describe-short-time-dynamics-through-conical-intersections-so-well-analysis-of-geometric-phase-effects-1501.06816"/></url>
<url><loc>https://scifaro.com/en/abs/a-periodic-energy-decomposition-analysis-peda-method-for-the-investigation-of-chemical-bonding-in-extended-systems-1501.07050</loc><lastmod>2015-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-periodic-energy-decomposition-analysis-peda-method-for-the-investigation-of-chemical-bonding-in-extended-systems-1501.07050"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-periodic-energy-decomposition-analysis-peda-method-for-the-investigation-of-chemical-bonding-in-extended-systems-1501.07050"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-transferability-of-three-water-models-developed-by-adaptive-force-matching-1501.07204</loc><lastmod>2015-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-transferability-of-three-water-models-developed-by-adaptive-force-matching-1501.07204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-transferability-of-three-water-models-developed-by-adaptive-force-matching-1501.07204"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-solutions-at-constant-chemical-potential-1501.07825</loc><lastmod>2015-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-solutions-at-constant-chemical-potential-1501.07825"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-solutions-at-constant-chemical-potential-1501.07825"/></url>
<url><loc>https://scifaro.com/en/abs/stark-field-modulated-microwave-detection-of-molecular-chirality-1501.07874</loc><lastmod>2015-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stark-field-modulated-microwave-detection-of-molecular-chirality-1501.07874"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stark-field-modulated-microwave-detection-of-molecular-chirality-1501.07874"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-analysis-of-the-electron-nuclear-coupling-in-electronic-non-adiabatic-processes-1502.00117</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-analysis-of-the-electron-nuclear-coupling-in-electronic-non-adiabatic-processes-1502.00117"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-analysis-of-the-electron-nuclear-coupling-in-electronic-non-adiabatic-processes-1502.00117"/></url>
<url><loc>https://scifaro.com/en/abs/full-quantum-dynamics-of-the-electronic-coupling-between-photosynthetic-pigments-1502.00491</loc><lastmod>2015-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-quantum-dynamics-of-the-electronic-coupling-between-photosynthetic-pigments-1502.00491"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-quantum-dynamics-of-the-electronic-coupling-between-photosynthetic-pigments-1502.00491"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-the-performance-of-the-diffusion-monte-carlo-method-as-applied-to-the-water-monomer-dimer-and-hexamer-1502.01046</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-the-performance-of-the-diffusion-monte-carlo-method-as-applied-to-the-water-monomer-dimer-and-hexamer-1502.01046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-the-performance-of-the-diffusion-monte-carlo-method-as-applied-to-the-water-monomer-dimer-and-hexamer-1502.01046"/></url>
<url><loc>https://scifaro.com/en/abs/subsystem-real-time-time-dependent-density-functional-theory-1502.01324</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/subsystem-real-time-time-dependent-density-functional-theory-1502.01324"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/subsystem-real-time-time-dependent-density-functional-theory-1502.01324"/></url>
<url><loc>https://scifaro.com/en/abs/vibronic-origin-of-long-lived-coherence-in-an-artificial-molecular-light-harvester-1502.01717</loc><lastmod>2015-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibronic-origin-of-long-lived-coherence-in-an-artificial-molecular-light-harvester-1502.01717"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibronic-origin-of-long-lived-coherence-in-an-artificial-molecular-light-harvester-1502.01717"/></url>
<url><loc>https://scifaro.com/en/abs/infrared-spectra-of-methyl-and-nitrogen-modified-void-coronene-modeling-a-carrier-of-interstellar-polycyclic-aromatic-hydrocarbon-1502.01766</loc><lastmod>2015-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infrared-spectra-of-methyl-and-nitrogen-modified-void-coronene-modeling-a-carrier-of-interstellar-polycyclic-aromatic-hydrocarbon-1502.01766"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infrared-spectra-of-methyl-and-nitrogen-modified-void-coronene-modeling-a-carrier-of-interstellar-polycyclic-aromatic-hydrocarbon-1502.01766"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dissociation-in-presence-of-catalysts-interpreting-bond-breaking-as-a-quantum-dynamical-phase-transition-1502.02048</loc><lastmod>2015-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dissociation-in-presence-of-catalysts-interpreting-bond-breaking-as-a-quantum-dynamical-phase-transition-1502.02048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dissociation-in-presence-of-catalysts-interpreting-bond-breaking-as-a-quantum-dynamical-phase-transition-1502.02048"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-confinement-in-hydrogen-bond-1502.02565</loc><lastmod>2015-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-confinement-in-hydrogen-bond-1502.02565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-confinement-in-hydrogen-bond-1502.02565"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-confinement-in-hydrogen-bond-of-dna-and-rna-1502.02572</loc><lastmod>2015-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-confinement-in-hydrogen-bond-of-dna-and-rna-1502.02572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-confinement-in-hydrogen-bond-of-dna-and-rna-1502.02572"/></url>
<url><loc>https://scifaro.com/en/abs/sound-emission-from-the-gas-of-molecular-superrotors-1502.02654</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sound-emission-from-the-gas-of-molecular-superrotors-1502.02654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sound-emission-from-the-gas-of-molecular-superrotors-1502.02654"/></url>
<url><loc>https://scifaro.com/en/abs/nife-dithiolene-diphosphine-complex-for-hydrogen-gas-activation-a-theoretic-insight-1502.02706</loc><lastmod>2015-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nife-dithiolene-diphosphine-complex-for-hydrogen-gas-activation-a-theoretic-insight-1502.02706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nife-dithiolene-diphosphine-complex-for-hydrogen-gas-activation-a-theoretic-insight-1502.02706"/></url>
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<url><loc>https://scifaro.com/en/abs/molecular-density-functional-theory-for-water-with-liquid-gas-coexistence-and-correct-pressure-1502.03048</loc><lastmod>2015-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-density-functional-theory-for-water-with-liquid-gas-coexistence-and-correct-pressure-1502.03048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-density-functional-theory-for-water-with-liquid-gas-coexistence-and-correct-pressure-1502.03048"/></url>
<url><loc>https://scifaro.com/en/abs/narrow-bandgap-in-beta-bazn2as2-and-its-chemical-origins-1502.03522</loc><lastmod>2015-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/narrow-bandgap-in-beta-bazn2as2-and-its-chemical-origins-1502.03522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/narrow-bandgap-in-beta-bazn2as2-and-its-chemical-origins-1502.03522"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-dependence-in-rainbow-scattering-of-hyperthermal-ar-atoms-from-lif-001-1502.03717</loc><lastmod>2015-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-dependence-in-rainbow-scattering-of-hyperthermal-ar-atoms-from-lif-001-1502.03717"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-dependence-in-rainbow-scattering-of-hyperthermal-ar-atoms-from-lif-001-1502.03717"/></url>
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<url><loc>https://scifaro.com/en/abs/velocity-map-imaging-with-non-uniform-detection-quantitative-molecular-axis-alignment-measurements-via-coulomb-explosion-imaging-1502.04007</loc><lastmod>2015-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/velocity-map-imaging-with-non-uniform-detection-quantitative-molecular-axis-alignment-measurements-via-coulomb-explosion-imaging-1502.04007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/velocity-map-imaging-with-non-uniform-detection-quantitative-molecular-axis-alignment-measurements-via-coulomb-explosion-imaging-1502.04007"/></url>
<url><loc>https://scifaro.com/en/abs/frank-discussion-of-the-status-of-ground-state-orbital-free-dft-1502.04017</loc><lastmod>2016-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frank-discussion-of-the-status-of-ground-state-orbital-free-dft-1502.04017"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frank-discussion-of-the-status-of-ground-state-orbital-free-dft-1502.04017"/></url>
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<url><loc>https://scifaro.com/en/abs/many-molecular-properties-from-one-kernel-in-chemical-space-1502.04563</loc><lastmod>2015-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-molecular-properties-from-one-kernel-in-chemical-space-1502.04563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-molecular-properties-from-one-kernel-in-chemical-space-1502.04563"/></url>
<url><loc>https://scifaro.com/en/abs/correct-quantum-chemistry-in-a-minimal-basis-from-effective-hamiltonians-1502.04698</loc><lastmod>2015-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correct-quantum-chemistry-in-a-minimal-basis-from-effective-hamiltonians-1502.04698"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correct-quantum-chemistry-in-a-minimal-basis-from-effective-hamiltonians-1502.04698"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-theoretical-description-of-weakly-charged-surfaces-1502.05265</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-theoretical-description-of-weakly-charged-surfaces-1502.05265"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-theoretical-description-of-weakly-charged-surfaces-1502.05265"/></url>
<url><loc>https://scifaro.com/en/abs/uv-spectra-of-iron-doped-carbon-clusters-fec-n-n-3-6-1502.05310</loc><lastmod>2015-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uv-spectra-of-iron-doped-carbon-clusters-fec-n-n-3-6-1502.05310"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uv-spectra-of-iron-doped-carbon-clusters-fec-n-n-3-6-1502.05310"/></url>
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<url><loc>https://scifaro.com/en/abs/density-matrix-renormalization-group-with-efficient-dynamical-electron-correlation-through-range-separation-1502.06157</loc><lastmod>2017-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-matrix-renormalization-group-with-efficient-dynamical-electron-correlation-through-range-separation-1502.06157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-matrix-renormalization-group-with-efficient-dynamical-electron-correlation-through-range-separation-1502.06157"/></url>
<url><loc>https://scifaro.com/en/abs/fractional-extension-of-kramers-rate-and-barrier-escaping-from-metastable-potential-well-1502.06184</loc><lastmod>2015-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fractional-extension-of-kramers-rate-and-barrier-escaping-from-metastable-potential-well-1502.06184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fractional-extension-of-kramers-rate-and-barrier-escaping-from-metastable-potential-well-1502.06184"/></url>
<url><loc>https://scifaro.com/en/abs/vibronic-coupling-explains-the-ultrafast-carotenoid-to-bacteriochlorophyll-energy-transfer-in-natural-and-artificial-light-harvesters-1502.06271</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibronic-coupling-explains-the-ultrafast-carotenoid-to-bacteriochlorophyll-energy-transfer-in-natural-and-artificial-light-harvesters-1502.06271"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibronic-coupling-explains-the-ultrafast-carotenoid-to-bacteriochlorophyll-energy-transfer-in-natural-and-artificial-light-harvesters-1502.06271"/></url>
<url><loc>https://scifaro.com/en/abs/implementation-of-z-vector-method-in-the-relativistic-coupled-cluster-framework-to-calculate-first-order-energy-derivatives-application-to-srf-molecule-1502.06356</loc><lastmod>2015-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/implementation-of-z-vector-method-in-the-relativistic-coupled-cluster-framework-to-calculate-first-order-energy-derivatives-application-to-srf-molecule-1502.06356"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/implementation-of-z-vector-method-in-the-relativistic-coupled-cluster-framework-to-calculate-first-order-energy-derivatives-application-to-srf-molecule-1502.06356"/></url>
<url><loc>https://scifaro.com/en/abs/linear-third-and-fifth-order-nonlinear-spectroscopy-of-a-charge-transfer-system-coupled-to-an-underdamped-vibration-1502.06410</loc><lastmod>2015-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-third-and-fifth-order-nonlinear-spectroscopy-of-a-charge-transfer-system-coupled-to-an-underdamped-vibration-1502.06410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-third-and-fifth-order-nonlinear-spectroscopy-of-a-charge-transfer-system-coupled-to-an-underdamped-vibration-1502.06410"/></url>
<url><loc>https://scifaro.com/en/abs/spontaneous-fluctuations-of-transition-dipole-moment-orientation-in-oled-triplet-emitters-1502.07136</loc><lastmod>2015-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spontaneous-fluctuations-of-transition-dipole-moment-orientation-in-oled-triplet-emitters-1502.07136"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spontaneous-fluctuations-of-transition-dipole-moment-orientation-in-oled-triplet-emitters-1502.07136"/></url>
<url><loc>https://scifaro.com/en/abs/structured-noise-induced-non-recross-barrier-escaping-1502.07159</loc><lastmod>2015-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structured-noise-induced-non-recross-barrier-escaping-1502.07159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structured-noise-induced-non-recross-barrier-escaping-1502.07159"/></url>
<url><loc>https://scifaro.com/en/abs/photoelectron-spectroscopy-investigation-of-the-temperature-induced-deprotonation-and-substrate-mediated-hydrogen-transfer-in-a-hydroxyphenyl-substituted-porphyrin-1502.07185</loc><lastmod>2015-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoelectron-spectroscopy-investigation-of-the-temperature-induced-deprotonation-and-substrate-mediated-hydrogen-transfer-in-a-hydroxyphenyl-substituted-porphyrin-1502.07185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoelectron-spectroscopy-investigation-of-the-temperature-induced-deprotonation-and-substrate-mediated-hydrogen-transfer-in-a-hydroxyphenyl-substituted-porphyrin-1502.07185"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-molecular-free-energies-in-classical-potentials-1502.07196</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-molecular-free-energies-in-classical-potentials-1502.07196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-molecular-free-energies-in-classical-potentials-1502.07196"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-geometry-optimization-with-the-density-matrix-renormalization-group-as-applied-to-polyenes-1502.07731</loc><lastmod>2015-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-geometry-optimization-with-the-density-matrix-renormalization-group-as-applied-to-polyenes-1502.07731"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-geometry-optimization-with-the-density-matrix-renormalization-group-as-applied-to-polyenes-1502.07731"/></url>
<url><loc>https://scifaro.com/en/abs/can-disorder-enhance-incoherent-exciton-diffusion-1502.07795</loc><lastmod>2015-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-disorder-enhance-incoherent-exciton-diffusion-1502.07795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-disorder-enhance-incoherent-exciton-diffusion-1502.07795"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-frozen-density-embedding-for-modeling-hole-transfer-reactions-1502.07957</loc><lastmod>2015-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-frozen-density-embedding-for-modeling-hole-transfer-reactions-1502.07957"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-frozen-density-embedding-for-modeling-hole-transfer-reactions-1502.07957"/></url>
<url><loc>https://scifaro.com/en/abs/subsystem-density-functional-theory-as-an-effective-tool-for-modeling-ground-and-excited-states-their-dynamics-and-many-body-interactions-1502.07962</loc><lastmod>2015-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/subsystem-density-functional-theory-as-an-effective-tool-for-modeling-ground-and-excited-states-their-dynamics-and-many-body-interactions-1502.07962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/subsystem-density-functional-theory-as-an-effective-tool-for-modeling-ground-and-excited-states-their-dynamics-and-many-body-interactions-1502.07962"/></url>
<url><loc>https://scifaro.com/en/abs/practical-and-rigorous-reduction-of-the-many-electron-quantum-mechanical-coulomb-problem-to-o-n-2-3-storage-1502.08043</loc><lastmod>2015-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/practical-and-rigorous-reduction-of-the-many-electron-quantum-mechanical-coulomb-problem-to-o-n-2-3-storage-1502.08043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/practical-and-rigorous-reduction-of-the-many-electron-quantum-mechanical-coulomb-problem-to-o-n-2-3-storage-1502.08043"/></url>
<url><loc>https://scifaro.com/en/abs/dft-investigation-of-osmium-terpyridinyl-complexes-as-potential-optical-limiting-materials-1503.00171</loc><lastmod>2015-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dft-investigation-of-osmium-terpyridinyl-complexes-as-potential-optical-limiting-materials-1503.00171"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dft-investigation-of-osmium-terpyridinyl-complexes-as-potential-optical-limiting-materials-1503.00171"/></url>
<url><loc>https://scifaro.com/en/abs/explicit-solver-for-the-electronic-v-representation-problem-1503.00248</loc><lastmod>2015-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explicit-solver-for-the-electronic-v-representation-problem-1503.00248"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explicit-solver-for-the-electronic-v-representation-problem-1503.00248"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-energy-gradients-in-range-separated-hybrid-density-functional-theory-with-random-phase-approximation-1503.00277</loc><lastmod>2016-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-energy-gradients-in-range-separated-hybrid-density-functional-theory-with-random-phase-approximation-1503.00277"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-energy-gradients-in-range-separated-hybrid-density-functional-theory-with-random-phase-approximation-1503.00277"/></url>
<url><loc>https://scifaro.com/en/abs/relationships-between-charge-density-response-functions-exchange-holes-and-localized-orbitals-1503.00284</loc><lastmod>2015-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relationships-between-charge-density-response-functions-exchange-holes-and-localized-orbitals-1503.00284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relationships-between-charge-density-response-functions-exchange-holes-and-localized-orbitals-1503.00284"/></url>
<url><loc>https://scifaro.com/en/abs/electron-scattering-and-transport-in-liquid-argon-1503.00377</loc><lastmod>2015-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-scattering-and-transport-in-liquid-argon-1503.00377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-scattering-and-transport-in-liquid-argon-1503.00377"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-pauli-constraints-in-reduced-density-matrix-functional-theory-1503.00746</loc><lastmod>2015-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-pauli-constraints-in-reduced-density-matrix-functional-theory-1503.00746"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-pauli-constraints-in-reduced-density-matrix-functional-theory-1503.00746"/></url>
<url><loc>https://scifaro.com/en/abs/diversity-of-coherences-and-origin-of-electronic-transitions-of-supermolecular-nanoring-1503.00870</loc><lastmod>2015-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diversity-of-coherences-and-origin-of-electronic-transitions-of-supermolecular-nanoring-1503.00870"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diversity-of-coherences-and-origin-of-electronic-transitions-of-supermolecular-nanoring-1503.00870"/></url>
<url><loc>https://scifaro.com/en/abs/the-assistance-of-molecular-vibrations-on-coherent-energy-transfer-in-photosynthesis-from-the-view-of-quantum-heat-engine-1503.01234</loc><lastmod>2015-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-assistance-of-molecular-vibrations-on-coherent-energy-transfer-in-photosynthesis-from-the-view-of-quantum-heat-engine-1503.01234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-assistance-of-molecular-vibrations-on-coherent-energy-transfer-in-photosynthesis-from-the-view-of-quantum-heat-engine-1503.01234"/></url>
<url><loc>https://scifaro.com/en/abs/recrossing-and-tunnelling-in-the-kinetics-study-of-the-oh-ch4-h2o-ch3-reaction-1503.01257</loc><lastmod>2015-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recrossing-and-tunnelling-in-the-kinetics-study-of-the-oh-ch4-h2o-ch3-reaction-1503.01257"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recrossing-and-tunnelling-in-the-kinetics-study-of-the-oh-ch4-h2o-ch3-reaction-1503.01257"/></url>
<url><loc>https://scifaro.com/en/abs/gaussian-process-model-for-collision-dynamics-of-complex-molecules-1503.01432</loc><lastmod>2015-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-process-model-for-collision-dynamics-of-complex-molecules-1503.01432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-process-model-for-collision-dynamics-of-complex-molecules-1503.01432"/></url>
<url><loc>https://scifaro.com/en/abs/ligand-hole-in-sni6-unit-and-origin-of-band-gap-in-photovoltaic-perovskite-variant-cs2sni6-1503.01458</loc><lastmod>2015-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ligand-hole-in-sni6-unit-and-origin-of-band-gap-in-photovoltaic-perovskite-variant-cs2sni6-1503.01458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ligand-hole-in-sni6-unit-and-origin-of-band-gap-in-photovoltaic-perovskite-variant-cs2sni6-1503.01458"/></url>
<url><loc>https://scifaro.com/en/abs/magnetic-dipolar-interaction-between-correlated-triplets-created-by-singlet-fission-in-tetracene-crystals-1503.01513</loc><lastmod>2015-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetic-dipolar-interaction-between-correlated-triplets-created-by-singlet-fission-in-tetracene-crystals-1503.01513"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetic-dipolar-interaction-between-correlated-triplets-created-by-singlet-fission-in-tetracene-crystals-1503.01513"/></url>
<url><loc>https://scifaro.com/en/abs/one-electron-oxygen-reduction-in-room-temperature-ionic-liquids-a-comparative-study-of-butler-volmer-and-symmetric-marcus-hush-theories-using-microdisc-electrodes-1503.01654</loc><lastmod>2015-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/one-electron-oxygen-reduction-in-room-temperature-ionic-liquids-a-comparative-study-of-butler-volmer-and-symmetric-marcus-hush-theories-using-microdisc-electrodes-1503.01654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/one-electron-oxygen-reduction-in-room-temperature-ionic-liquids-a-comparative-study-of-butler-volmer-and-symmetric-marcus-hush-theories-using-microdisc-electrodes-1503.01654"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-correction-for-tight-binding-td-dft-1503.01714</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-correction-for-tight-binding-td-dft-1503.01714"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-correction-for-tight-binding-td-dft-1503.01714"/></url>
<url><loc>https://scifaro.com/en/abs/proton-ordering-dynamics-of-h2o-ice-1503.01830</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proton-ordering-dynamics-of-h2o-ice-1503.01830"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proton-ordering-dynamics-of-h2o-ice-1503.01830"/></url>
<url><loc>https://scifaro.com/en/abs/inhibited-explosive-and-anisotropic-relaxation-in-a-gas-of-molecular-super-rotors-1503.02882</loc><lastmod>2015-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inhibited-explosive-and-anisotropic-relaxation-in-a-gas-of-molecular-super-rotors-1503.02882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inhibited-explosive-and-anisotropic-relaxation-in-a-gas-of-molecular-super-rotors-1503.02882"/></url>
<url><loc>https://scifaro.com/en/abs/a-theoretical-investigation-into-energy-transfer-in-photosynthetic-open-quantum-systems-1503.03277</loc><lastmod>2015-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-theoretical-investigation-into-energy-transfer-in-photosynthetic-open-quantum-systems-1503.03277"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-theoretical-investigation-into-energy-transfer-in-photosynthetic-open-quantum-systems-1503.03277"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-extrinsic-point-defects-in-phosphorene-b-c-n-o-and-f-adatoms-1503.04165</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-extrinsic-point-defects-in-phosphorene-b-c-n-o-and-f-adatoms-1503.04165"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-extrinsic-point-defects-in-phosphorene-b-c-n-o-and-f-adatoms-1503.04165"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-stability-of-nanobubbles-1503.04365</loc><lastmod>2015-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-stability-of-nanobubbles-1503.04365"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-stability-of-nanobubbles-1503.04365"/></url>
<url><loc>https://scifaro.com/en/abs/electron-vibron-coupling-at-metal-organic-interfaces-from-theory-and-experiment-1503.04401</loc><lastmod>2016-05-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-vibron-coupling-at-metal-organic-interfaces-from-theory-and-experiment-1503.04401"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-vibron-coupling-at-metal-organic-interfaces-from-theory-and-experiment-1503.04401"/></url>
<url><loc>https://scifaro.com/en/abs/pair-extended-coupled-cluster-doubles-1503.04878</loc><lastmod>2016-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pair-extended-coupled-cluster-doubles-1503.04878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pair-extended-coupled-cluster-doubles-1503.04878"/></url>
<url><loc>https://scifaro.com/en/abs/big-data-meets-quantum-chemistry-approximations-the-delta-machine-learning-approach-1503.04987</loc><lastmod>2023-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/big-data-meets-quantum-chemistry-approximations-the-delta-machine-learning-approach-1503.04987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/big-data-meets-quantum-chemistry-approximations-the-delta-machine-learning-approach-1503.04987"/></url>
<url><loc>https://scifaro.com/en/abs/incompatible-liquids-in-confined-conditions-1503.05015</loc><lastmod>2015-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/incompatible-liquids-in-confined-conditions-1503.05015"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/incompatible-liquids-in-confined-conditions-1503.05015"/></url>
<url><loc>https://scifaro.com/en/abs/measurement-of-dynamic-light-scattering-intensity-in-gels-1503.05016</loc><lastmod>2015-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurement-of-dynamic-light-scattering-intensity-in-gels-1503.05016"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurement-of-dynamic-light-scattering-intensity-in-gels-1503.05016"/></url>
<url><loc>https://scifaro.com/en/abs/modelisation-of-london-dispersion-forces-by-random-phase-approximation-methodological-developments-1503.05320</loc><lastmod>2015-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modelisation-of-london-dispersion-forces-by-random-phase-approximation-methodological-developments-1503.05320"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modelisation-of-london-dispersion-forces-by-random-phase-approximation-methodological-developments-1503.05320"/></url>
<url><loc>https://scifaro.com/en/abs/transferable-atomic-multipole-machine-learning-models-for-small-organic-molecules-1503.05453</loc><lastmod>2017-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transferable-atomic-multipole-machine-learning-models-for-small-organic-molecules-1503.05453"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transferable-atomic-multipole-machine-learning-models-for-small-organic-molecules-1503.05453"/></url>
<url><loc>https://scifaro.com/en/abs/transform-limited-pulse-representation-of-excitation-with-natural-incoherent-light-1503.05557</loc><lastmod>2022-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transform-limited-pulse-representation-of-excitation-with-natural-incoherent-light-1503.05557"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transform-limited-pulse-representation-of-excitation-with-natural-incoherent-light-1503.05557"/></url>
<url><loc>https://scifaro.com/en/abs/calculating-excitation-energies-by-extrapolation-along-adiabatic-connections-1503.05693</loc><lastmod>2015-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculating-excitation-energies-by-extrapolation-along-adiabatic-connections-1503.05693"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculating-excitation-energies-by-extrapolation-along-adiabatic-connections-1503.05693"/></url>
<url><loc>https://scifaro.com/en/abs/some-comments-on-the-butler-volmer-equation-for-modeling-lithium-ion-batteries-1503.05912</loc><lastmod>2015-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/some-comments-on-the-butler-volmer-equation-for-modeling-lithium-ion-batteries-1503.05912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/some-comments-on-the-butler-volmer-equation-for-modeling-lithium-ion-batteries-1503.05912"/></url>
<url><loc>https://scifaro.com/en/abs/direct-observation-of-long-electron-hole-diffusion-distance-in-ch3nh3pbi3-perovskite-thin-film-1503.05984</loc><lastmod>2015-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-observation-of-long-electron-hole-diffusion-distance-in-ch3nh3pbi3-perovskite-thin-film-1503.05984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-observation-of-long-electron-hole-diffusion-distance-in-ch3nh3pbi3-perovskite-thin-film-1503.05984"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-nmr-shielding-in-paramagnetic-molecules-roadmap-and-magnetic-couplings-1503.06039</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-nmr-shielding-in-paramagnetic-molecules-roadmap-and-magnetic-couplings-1503.06039"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-nmr-shielding-in-paramagnetic-molecules-roadmap-and-magnetic-couplings-1503.06039"/></url>
<url><loc>https://scifaro.com/en/abs/carbon-nanofibers-precious-commodities-from-sunlight-co2-to-ameliorate-global-warming-and-supplement-carbon-nanofibers-from-fossil-fuel-electric-power-plants-1503.06727</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/carbon-nanofibers-precious-commodities-from-sunlight-co2-to-ameliorate-global-warming-and-supplement-carbon-nanofibers-from-fossil-fuel-electric-power-plants-1503.06727"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/carbon-nanofibers-precious-commodities-from-sunlight-co2-to-ameliorate-global-warming-and-supplement-carbon-nanofibers-from-fossil-fuel-electric-power-plants-1503.06727"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-mechanical-treatment-of-variable-molecular-composition-from-alchemical-changes-of-state-functions-to-rational-compound-design-1503.07034</loc><lastmod>2015-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-mechanical-treatment-of-variable-molecular-composition-from-alchemical-changes-of-state-functions-to-rational-compound-design-1503.07034"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-mechanical-treatment-of-variable-molecular-composition-from-alchemical-changes-of-state-functions-to-rational-compound-design-1503.07034"/></url>
<url><loc>https://scifaro.com/en/abs/canonical-density-matrix-perturbation-theory-1503.07037</loc><lastmod>2015-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/canonical-density-matrix-perturbation-theory-1503.07037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/canonical-density-matrix-perturbation-theory-1503.07037"/></url>
<url><loc>https://scifaro.com/en/abs/explicit-correlated-exciton-vibrational-dynamics-of-the-fmo-complex-1503.07059</loc><lastmod>2015-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explicit-correlated-exciton-vibrational-dynamics-of-the-fmo-complex-1503.07059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explicit-correlated-exciton-vibrational-dynamics-of-the-fmo-complex-1503.07059"/></url>
<url><loc>https://scifaro.com/en/abs/crystal-structure-representations-for-machine-learning-models-of-formation-energies-1503.07406</loc><lastmod>2015-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crystal-structure-representations-for-machine-learning-models-of-formation-energies-1503.07406"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crystal-structure-representations-for-machine-learning-models-of-formation-energies-1503.07406"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-methane-adsorption-and-its-effect-on-gas-transport-in-shale-matrix-through-microscale-and-mesoscale-simulations-1503.07445</loc><lastmod>2015-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-methane-adsorption-and-its-effect-on-gas-transport-in-shale-matrix-through-microscale-and-mesoscale-simulations-1503.07445"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-methane-adsorption-and-its-effect-on-gas-transport-in-shale-matrix-through-microscale-and-mesoscale-simulations-1503.07445"/></url>
<url><loc>https://scifaro.com/en/abs/pair-densities-in-density-functional-theory-1503.07539</loc><lastmod>2015-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pair-densities-in-density-functional-theory-1503.07539"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pair-densities-in-density-functional-theory-1503.07539"/></url>
<url><loc>https://scifaro.com/en/abs/computationally-efficient-double-hybrid-density-functional-theory-using-dual-basis-methods-1503.07725</loc><lastmod>2015-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computationally-efficient-double-hybrid-density-functional-theory-using-dual-basis-methods-1503.07725"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computationally-efficient-double-hybrid-density-functional-theory-using-dual-basis-methods-1503.07725"/></url>
<url><loc>https://scifaro.com/en/abs/embedding-parameters-in-ab-initio-theory-to-develop-approximations-based-on-molecular-similarity-1503.07852</loc><lastmod>2015-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/embedding-parameters-in-ab-initio-theory-to-develop-approximations-based-on-molecular-similarity-1503.07852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/embedding-parameters-in-ab-initio-theory-to-develop-approximations-based-on-molecular-similarity-1503.07852"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-electrochemical-intermediate-solvation-through-electrolyte-anion-selection-to-increase-nonaqueous-li-o-2-battery-capacity-1503.07925</loc><lastmod>2015-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-electrochemical-intermediate-solvation-through-electrolyte-anion-selection-to-increase-nonaqueous-li-o-2-battery-capacity-1503.07925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-electrochemical-intermediate-solvation-through-electrolyte-anion-selection-to-increase-nonaqueous-li-o-2-battery-capacity-1503.07925"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-and-ab-initio-studies-of-the-novel-piperidine-containing-acetylene-glycols-1503.08041</loc><lastmod>2015-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-and-ab-initio-studies-of-the-novel-piperidine-containing-acetylene-glycols-1503.08041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-and-ab-initio-studies-of-the-novel-piperidine-containing-acetylene-glycols-1503.08041"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-dosy-measure-of-out-of-equilibrium-systems-by-permutated-dosy-p-dosy-1503.08763</loc><lastmod>2015-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-dosy-measure-of-out-of-equilibrium-systems-by-permutated-dosy-p-dosy-1503.08763"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-dosy-measure-of-out-of-equilibrium-systems-by-permutated-dosy-p-dosy-1503.08763"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-study-of-some-diatomic-molecules-via-the-proper-quantization-rule-1503.09091</loc><lastmod>2015-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-study-of-some-diatomic-molecules-via-the-proper-quantization-rule-1503.09091"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-study-of-some-diatomic-molecules-via-the-proper-quantization-rule-1503.09091"/></url>
<url><loc>https://scifaro.com/en/abs/a-coupled-trajectory-quantum-classical-approach-to-decoherence-in-non-adiabatic-processes-1504.00250</loc><lastmod>2015-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-coupled-trajectory-quantum-classical-approach-to-decoherence-in-non-adiabatic-processes-1504.00250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-coupled-trajectory-quantum-classical-approach-to-decoherence-in-non-adiabatic-processes-1504.00250"/></url>
<url><loc>https://scifaro.com/en/abs/ice-nucleation-on-carbon-surface-supports-the-classical-theory-for-heterogeneous-nucleation-1504.00379</loc><lastmod>2015-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ice-nucleation-on-carbon-surface-supports-the-classical-theory-for-heterogeneous-nucleation-1504.00379"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ice-nucleation-on-carbon-surface-supports-the-classical-theory-for-heterogeneous-nucleation-1504.00379"/></url>
<url><loc>https://scifaro.com/en/abs/the-need-benefits-and-demonstration-of-a-minimization-principle-for-excited-states-1504.00392</loc><lastmod>2016-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-need-benefits-and-demonstration-of-a-minimization-principle-for-excited-states-1504.00392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-need-benefits-and-demonstration-of-a-minimization-principle-for-excited-states-1504.00392"/></url>
<url><loc>https://scifaro.com/en/abs/classical-density-functional-theory-to-tackle-solvation-in-molecular-liquids-1504.00796</loc><lastmod>2015-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classical-density-functional-theory-to-tackle-solvation-in-molecular-liquids-1504.00796"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classical-density-functional-theory-to-tackle-solvation-in-molecular-liquids-1504.00796"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-study-of-light-scattering-in-linear-alkylbenzene-for-liquid-scintillator-neutrino-detectors-1504.00986</loc><lastmod>2016-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-study-of-light-scattering-in-linear-alkylbenzene-for-liquid-scintillator-neutrino-detectors-1504.00986"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-study-of-light-scattering-in-linear-alkylbenzene-for-liquid-scintillator-neutrino-detectors-1504.00986"/></url>
<url><loc>https://scifaro.com/en/abs/measuring-method-of-a-surface-property-inside-the-pore-application-of-kelvin-s-equation-1504.01114</loc><lastmod>2015-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-method-of-a-surface-property-inside-the-pore-application-of-kelvin-s-equation-1504.01114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-method-of-a-surface-property-inside-the-pore-application-of-kelvin-s-equation-1504.01114"/></url>
<url><loc>https://scifaro.com/en/abs/direct-observation-of-high-spin-states-in-manganese-dimer-and-trimer-cations-by-x-ray-magnetic-circular-dichroism-spectroscopy-in-an-ion-trap-1504.01411</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-observation-of-high-spin-states-in-manganese-dimer-and-trimer-cations-by-x-ray-magnetic-circular-dichroism-spectroscopy-in-an-ion-trap-1504.01411"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-observation-of-high-spin-states-in-manganese-dimer-and-trimer-cations-by-x-ray-magnetic-circular-dichroism-spectroscopy-in-an-ion-trap-1504.01411"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-of-molecular-superrotors-in-external-magnetic-field-1504.01432</loc><lastmod>2015-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-of-molecular-superrotors-in-external-magnetic-field-1504.01432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-of-molecular-superrotors-in-external-magnetic-field-1504.01432"/></url>
<url><loc>https://scifaro.com/en/abs/energy-states-of-some-diatomic-molecules-exact-quantization-rule-approach-1504.01725</loc><lastmod>2015-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-states-of-some-diatomic-molecules-exact-quantization-rule-approach-1504.01725"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-states-of-some-diatomic-molecules-exact-quantization-rule-approach-1504.01725"/></url>
<url><loc>https://scifaro.com/en/abs/about-bifurcational-parametric-simplification-1504.01944</loc><lastmod>2015-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/about-bifurcational-parametric-simplification-1504.01944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/about-bifurcational-parametric-simplification-1504.01944"/></url>
<url><loc>https://scifaro.com/en/abs/parametrizing-linear-generalized-langevin-dynamics-from-explicit-molecular-dynamics-simulations-1504.01959</loc><lastmod>2015-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parametrizing-linear-generalized-langevin-dynamics-from-explicit-molecular-dynamics-simulations-1504.01959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parametrizing-linear-generalized-langevin-dynamics-from-explicit-molecular-dynamics-simulations-1504.01959"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-spectra-from-tddft-and-machine-learning-in-chemical-space-1504.01966</loc><lastmod>2015-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-spectra-from-tddft-and-machine-learning-in-chemical-space-1504.01966"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-spectra-from-tddft-and-machine-learning-in-chemical-space-1504.01966"/></url>
<url><loc>https://scifaro.com/en/abs/boltzmann-conserving-classical-dynamics-in-quantum-time-correlation-functions-matsubara-dynamics-1504.02227</loc><lastmod>2015-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/boltzmann-conserving-classical-dynamics-in-quantum-time-correlation-functions-matsubara-dynamics-1504.02227"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/boltzmann-conserving-classical-dynamics-in-quantum-time-correlation-functions-matsubara-dynamics-1504.02227"/></url>
<url><loc>https://scifaro.com/en/abs/the-colorful-chemical-bottle-experiment-kit-from-school-laboratory-to-public-demonstration-1504.02604</loc><lastmod>2015-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-colorful-chemical-bottle-experiment-kit-from-school-laboratory-to-public-demonstration-1504.02604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-colorful-chemical-bottle-experiment-kit-from-school-laboratory-to-public-demonstration-1504.02604"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-electronic-populations-in-fragment-based-time-dependent-density-functional-theory-1504.03059</loc><lastmod>2015-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-electronic-populations-in-fragment-based-time-dependent-density-functional-theory-1504.03059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-electronic-populations-in-fragment-based-time-dependent-density-functional-theory-1504.03059"/></url>
<url><loc>https://scifaro.com/en/abs/a-theoretical-study-of-the-dynamics-of-paramagnetic-superrotors-in-external-magnetic-fields-1504.03278</loc><lastmod>2015-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-theoretical-study-of-the-dynamics-of-paramagnetic-superrotors-in-external-magnetic-fields-1504.03278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-theoretical-study-of-the-dynamics-of-paramagnetic-superrotors-in-external-magnetic-fields-1504.03278"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-on-the-fly-calculation-of-raman-spectra-from-textit-ab-initio-molecular-dynamics-application-to-hydrophobic-hydrophilic-solutes-in-bulk-water-1504.03639</loc><lastmod>2015-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-on-the-fly-calculation-of-raman-spectra-from-textit-ab-initio-molecular-dynamics-application-to-hydrophobic-hydrophilic-solutes-in-bulk-water-1504.03639"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-on-the-fly-calculation-of-raman-spectra-from-textit-ab-initio-molecular-dynamics-application-to-hydrophobic-hydrophilic-solutes-in-bulk-water-1504.03639"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-method-to-estimate-entropy-of-atmospheric-gases-from-their-action-1504.03866</loc><lastmod>2021-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-method-to-estimate-entropy-of-atmospheric-gases-from-their-action-1504.03866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-method-to-estimate-entropy-of-atmospheric-gases-from-their-action-1504.03866"/></url>
<url><loc>https://scifaro.com/en/abs/steepest-entropy-ascent-quantum-thermodynamic-framework-for-describing-the-non-equilibrium-behavior-of-a-chemically-reactive-system-at-an-atomistic-level-1504.03994</loc><lastmod>2017-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steepest-entropy-ascent-quantum-thermodynamic-framework-for-describing-the-non-equilibrium-behavior-of-a-chemically-reactive-system-at-an-atomistic-level-1504.03994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steepest-entropy-ascent-quantum-thermodynamic-framework-for-describing-the-non-equilibrium-behavior-of-a-chemically-reactive-system-at-an-atomistic-level-1504.03994"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-chemical-reactions-on-the-nonlinear-dynamics-of-dissipative-flows-1504.04205</loc><lastmod>2017-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-chemical-reactions-on-the-nonlinear-dynamics-of-dissipative-flows-1504.04205"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-chemical-reactions-on-the-nonlinear-dynamics-of-dissipative-flows-1504.04205"/></url>
<url><loc>https://scifaro.com/en/abs/ferrogels-cross-linked-by-magnetic-particles-field-driven-deformation-and-elasticity-studied-using-computer-simulations-1504.04280</loc><lastmod>2015-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ferrogels-cross-linked-by-magnetic-particles-field-driven-deformation-and-elasticity-studied-using-computer-simulations-1504.04280"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ferrogels-cross-linked-by-magnetic-particles-field-driven-deformation-and-elasticity-studied-using-computer-simulations-1504.04280"/></url>
<url><loc>https://scifaro.com/en/abs/vapor-like-liquid-coexistence-densities-affect-the-extension-of-the-critical-point-s-influence-zone-1504.04284</loc><lastmod>2015-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vapor-like-liquid-coexistence-densities-affect-the-extension-of-the-critical-point-s-influence-zone-1504.04284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vapor-like-liquid-coexistence-densities-affect-the-extension-of-the-critical-point-s-influence-zone-1504.04284"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-observation-of-the-elusive-double-peak-structure-in-r-dependent-strong-field-ionization-rate-of-h2-1504.04676</loc><lastmod>2015-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-observation-of-the-elusive-double-peak-structure-in-r-dependent-strong-field-ionization-rate-of-h2-1504.04676"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-observation-of-the-elusive-double-peak-structure-in-r-dependent-strong-field-ionization-rate-of-h2-1504.04676"/></url>
<url><loc>https://scifaro.com/en/abs/isotopic-fractionation-in-proteins-as-a-measure-of-hydrogen-bond-length-1504.04939</loc><lastmod>2015-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isotopic-fractionation-in-proteins-as-a-measure-of-hydrogen-bond-length-1504.04939"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isotopic-fractionation-in-proteins-as-a-measure-of-hydrogen-bond-length-1504.04939"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-state-changing-cold-collisions-of-hydroxyl-ions-with-helium-1504.05014</loc><lastmod>2015-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-state-changing-cold-collisions-of-hydroxyl-ions-with-helium-1504.05014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-state-changing-cold-collisions-of-hydroxyl-ions-with-helium-1504.05014"/></url>
<url><loc>https://scifaro.com/en/abs/shifted-tietz-wei-oscillator-for-simulating-the-atomic-interaction-in-diatomic-molecules-1504.05509</loc><lastmod>2015-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/shifted-tietz-wei-oscillator-for-simulating-the-atomic-interaction-in-diatomic-molecules-1504.05509"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/shifted-tietz-wei-oscillator-for-simulating-the-atomic-interaction-in-diatomic-molecules-1504.05509"/></url>
<url><loc>https://scifaro.com/en/abs/broadening-of-h-2-o-rotational-lines-by-collision-with-he-atoms-at-low-temperature-1504.06069</loc><lastmod>2016-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/broadening-of-h-2-o-rotational-lines-by-collision-with-he-atoms-at-low-temperature-1504.06069"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/broadening-of-h-2-o-rotational-lines-by-collision-with-he-atoms-at-low-temperature-1504.06069"/></url>
<url><loc>https://scifaro.com/en/abs/short-range-dft-combined-with-long-range-local-rpa-within-a-range-separated-hybrid-dft-framework-1504.06139</loc><lastmod>2016-02-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/short-range-dft-combined-with-long-range-local-rpa-within-a-range-separated-hybrid-dft-framework-1504.06139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/short-range-dft-combined-with-long-range-local-rpa-within-a-range-separated-hybrid-dft-framework-1504.06139"/></url>
<url><loc>https://scifaro.com/en/abs/configuration-interaction-with-antisymmetrized-geminal-powers-1504.06250</loc><lastmod>2015-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/configuration-interaction-with-antisymmetrized-geminal-powers-1504.06250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/configuration-interaction-with-antisymmetrized-geminal-powers-1504.06250"/></url>
<url><loc>https://scifaro.com/en/abs/polylogarithmic-representation-of-radiative-and-thermodynamic-properties-of-thermal-radiation-in-a-given-spectral-range-ii-real-body-radiation-1504.06331</loc><lastmod>2016-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polylogarithmic-representation-of-radiative-and-thermodynamic-properties-of-thermal-radiation-in-a-given-spectral-range-ii-real-body-radiation-1504.06331"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polylogarithmic-representation-of-radiative-and-thermodynamic-properties-of-thermal-radiation-in-a-given-spectral-range-ii-real-body-radiation-1504.06331"/></url>
<url><loc>https://scifaro.com/en/abs/linear-interpolation-method-in-ensemble-kohn-sham-and-range-separated-density-functional-approximations-for-excited-states-1504.06477</loc><lastmod>2015-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-interpolation-method-in-ensemble-kohn-sham-and-range-separated-density-functional-approximations-for-excited-states-1504.06477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-interpolation-method-in-ensemble-kohn-sham-and-range-separated-density-functional-approximations-for-excited-states-1504.06477"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-stress-tensor-analysis-of-molecules-in-gas-phase-of-cvd-process-for-gesbte-alloy-1504.06910</loc><lastmod>2016-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-stress-tensor-analysis-of-molecules-in-gas-phase-of-cvd-process-for-gesbte-alloy-1504.06910"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-stress-tensor-analysis-of-molecules-in-gas-phase-of-cvd-process-for-gesbte-alloy-1504.06910"/></url>
<url><loc>https://scifaro.com/en/abs/mesoscale-modeling-of-phase-transition-dynamics-of-thermoresponsive-polymers-1504.07094</loc><lastmod>2015-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mesoscale-modeling-of-phase-transition-dynamics-of-thermoresponsive-polymers-1504.07094"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mesoscale-modeling-of-phase-transition-dynamics-of-thermoresponsive-polymers-1504.07094"/></url>
<url><loc>https://scifaro.com/en/abs/ionization-of-rydberg-h-atoms-at-band-gap-metal-surfaces-via-surface-and-image-states-1504.07172</loc><lastmod>2015-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionization-of-rydberg-h-atoms-at-band-gap-metal-surfaces-via-surface-and-image-states-1504.07172"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionization-of-rydberg-h-atoms-at-band-gap-metal-surfaces-via-surface-and-image-states-1504.07172"/></url>
<url><loc>https://scifaro.com/en/abs/resonant-charge-transfer-of-hydrogen-rydberg-atoms-incident-at-a-cu-100-projected-band-gap-surface-1504.07191</loc><lastmod>2016-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resonant-charge-transfer-of-hydrogen-rydberg-atoms-incident-at-a-cu-100-projected-band-gap-surface-1504.07191"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resonant-charge-transfer-of-hydrogen-rydberg-atoms-incident-at-a-cu-100-projected-band-gap-surface-1504.07191"/></url>
<url><loc>https://scifaro.com/en/abs/structure-and-dynamics-of-the-instantaneous-water-vapor-interface-revisited-by-path-integral-and-ab-initio-molecular-dynamics-simulations-1504.07351</loc><lastmod>2015-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-and-dynamics-of-the-instantaneous-water-vapor-interface-revisited-by-path-integral-and-ab-initio-molecular-dynamics-simulations-1504.07351"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-and-dynamics-of-the-instantaneous-water-vapor-interface-revisited-by-path-integral-and-ab-initio-molecular-dynamics-simulations-1504.07351"/></url>
<url><loc>https://scifaro.com/en/abs/polarizable-molecular-interactions-in-condensed-phase-and-their-equivalent-nonpolarizable-models-1504.07652</loc><lastmod>2015-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polarizable-molecular-interactions-in-condensed-phase-and-their-equivalent-nonpolarizable-models-1504.07652"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polarizable-molecular-interactions-in-condensed-phase-and-their-equivalent-nonpolarizable-models-1504.07652"/></url>
<url><loc>https://scifaro.com/en/abs/path-integral-molecular-dynamics-within-the-grand-canonical-like-adaptive-resolution-technique-simulation-of-liquid-water-1504.07784</loc><lastmod>2015-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/path-integral-molecular-dynamics-within-the-grand-canonical-like-adaptive-resolution-technique-simulation-of-liquid-water-1504.07784"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/path-integral-molecular-dynamics-within-the-grand-canonical-like-adaptive-resolution-technique-simulation-of-liquid-water-1504.07784"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-and-kinetics-of-binary-nucleation-in-ideal-gas-mixtures-1504.08131</loc><lastmod>2015-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-and-kinetics-of-binary-nucleation-in-ideal-gas-mixtures-1504.08131"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-and-kinetics-of-binary-nucleation-in-ideal-gas-mixtures-1504.08131"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-mass-action-law-and-thermodynamics-of-nonlinear-markov-processes-1504.08317</loc><lastmod>2015-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-mass-action-law-and-thermodynamics-of-nonlinear-markov-processes-1504.08317"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-mass-action-law-and-thermodynamics-of-nonlinear-markov-processes-1504.08317"/></url>
<url><loc>https://scifaro.com/en/abs/polyatomic-candidates-for-cooling-of-molecules-with-lasers-from-simple-theoretical-concepts-1504.08326</loc><lastmod>2016-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polyatomic-candidates-for-cooling-of-molecules-with-lasers-from-simple-theoretical-concepts-1504.08326"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polyatomic-candidates-for-cooling-of-molecules-with-lasers-from-simple-theoretical-concepts-1504.08326"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-reactions-induced-by-oscillating-external-fields-in-weak-thermal-environments-1504.08354</loc><lastmod>2015-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-reactions-induced-by-oscillating-external-fields-in-weak-thermal-environments-1504.08354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-reactions-induced-by-oscillating-external-fields-in-weak-thermal-environments-1504.08354"/></url>
<url><loc>https://scifaro.com/en/abs/transition-state-trajectory-stability-determines-barrier-crossing-rates-in-chemical-reactions-induced-by-time-dependent-oscillating-fields-1504.08356</loc><lastmod>2015-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-state-trajectory-stability-determines-barrier-crossing-rates-in-chemical-reactions-induced-by-time-dependent-oscillating-fields-1504.08356"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-state-trajectory-stability-determines-barrier-crossing-rates-in-chemical-reactions-induced-by-time-dependent-oscillating-fields-1504.08356"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-for-quantum-mechanical-properties-of-atoms-in-molecules-1505.00350</loc><lastmod>2015-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-for-quantum-mechanical-properties-of-atoms-in-molecules-1505.00350"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-for-quantum-mechanical-properties-of-atoms-in-molecules-1505.00350"/></url>
<url><loc>https://scifaro.com/en/abs/orbitals-from-local-rdmft-are-they-kohn-sham-or-natural-orbitals-1505.00627</loc><lastmod>2015-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbitals-from-local-rdmft-are-they-kohn-sham-or-natural-orbitals-1505.00627"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbitals-from-local-rdmft-are-they-kohn-sham-or-natural-orbitals-1505.00627"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transport-in-molecular-junctions-from-tunneling-to-hopping-with-the-probe-technique-1505.00645</loc><lastmod>2015-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transport-in-molecular-junctions-from-tunneling-to-hopping-with-the-probe-technique-1505.00645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transport-in-molecular-junctions-from-tunneling-to-hopping-with-the-probe-technique-1505.00645"/></url>
<url><loc>https://scifaro.com/en/abs/automated-discovery-of-elementary-chemical-reaction-steps-using-freezing-string-and-berny-optimization-methods-1505.01041</loc><lastmod>2015-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-discovery-of-elementary-chemical-reaction-steps-using-freezing-string-and-berny-optimization-methods-1505.01041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-discovery-of-elementary-chemical-reaction-steps-using-freezing-string-and-berny-optimization-methods-1505.01041"/></url>
<url><loc>https://scifaro.com/en/abs/direct-calculation-of-ice-homogeneous-nucleation-rate-for-a-molecular-model-of-water-1505.01126</loc><lastmod>2015-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-calculation-of-ice-homogeneous-nucleation-rate-for-a-molecular-model-of-water-1505.01126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-calculation-of-ice-homogeneous-nucleation-rate-for-a-molecular-model-of-water-1505.01126"/></url>
<url><loc>https://scifaro.com/en/abs/transition-state-theory-for-dissipative-systems-without-a-dividing-surface-1505.01397</loc><lastmod>2015-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-state-theory-for-dissipative-systems-without-a-dividing-surface-1505.01397"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-state-theory-for-dissipative-systems-without-a-dividing-surface-1505.01397"/></url>
<url><loc>https://scifaro.com/en/abs/multireference-x-ray-emission-and-absorption-spectroscopy-calculations-from-monte-carlo-configuration-interaction-1505.01407</loc><lastmod>2015-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multireference-x-ray-emission-and-absorption-spectroscopy-calculations-from-monte-carlo-configuration-interaction-1505.01407"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multireference-x-ray-emission-and-absorption-spectroscopy-calculations-from-monte-carlo-configuration-interaction-1505.01407"/></url>
<url><loc>https://scifaro.com/en/abs/polarizable-mean-field-model-of-water-for-biological-simulations-with-amber-and-charmm-force-fields-1505.01454</loc><lastmod>2015-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polarizable-mean-field-model-of-water-for-biological-simulations-with-amber-and-charmm-force-fields-1505.01454"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polarizable-mean-field-model-of-water-for-biological-simulations-with-amber-and-charmm-force-fields-1505.01454"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-peculiarities-of-the-sehrs-spectrum-of-bipyridine-molecule-on-the-base-of-the-dipole-quadrupole-theory-1505.01789</loc><lastmod>2015-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-peculiarities-of-the-sehrs-spectrum-of-bipyridine-molecule-on-the-base-of-the-dipole-quadrupole-theory-1505.01789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-peculiarities-of-the-sehrs-spectrum-of-bipyridine-molecule-on-the-base-of-the-dipole-quadrupole-theory-1505.01789"/></url>
<url><loc>https://scifaro.com/en/abs/can-single-reference-coupled-cluster-theory-describe-static-correlation-1505.01894</loc><lastmod>2016-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-single-reference-coupled-cluster-theory-describe-static-correlation-1505.01894"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-single-reference-coupled-cluster-theory-describe-static-correlation-1505.01894"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-metal-ions-in-x-ray-induced-photochemistry-1505.02079</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-metal-ions-in-x-ray-induced-photochemistry-1505.02079"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-metal-ions-in-x-ray-induced-photochemistry-1505.02079"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-and-quantumness-of-excitation-energy-transfer-through-a-complex-quantum-network-1505.02130</loc><lastmod>2015-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-and-quantumness-of-excitation-energy-transfer-through-a-complex-quantum-network-1505.02130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-and-quantumness-of-excitation-energy-transfer-through-a-complex-quantum-network-1505.02130"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-optimization-in-the-active-space-decomposition-model-1505.02346</loc><lastmod>2015-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-optimization-in-the-active-space-decomposition-model-1505.02346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-optimization-in-the-active-space-decomposition-model-1505.02346"/></url>
<url><loc>https://scifaro.com/en/abs/model-for-energy-transfer-by-coherent-fermi-pressure-fluctuations-in-quantum-soft-matter-1505.02641</loc><lastmod>2015-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/model-for-energy-transfer-by-coherent-fermi-pressure-fluctuations-in-quantum-soft-matter-1505.02641"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/model-for-energy-transfer-by-coherent-fermi-pressure-fluctuations-in-quantum-soft-matter-1505.02641"/></url>
<url><loc>https://scifaro.com/en/abs/jost-function-description-of-near-threshold-resonances-for-coupled-channel-scattering-1505.03170</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/jost-function-description-of-near-threshold-resonances-for-coupled-channel-scattering-1505.03170"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/jost-function-description-of-near-threshold-resonances-for-coupled-channel-scattering-1505.03170"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-nuclear-spin-symmetry-in-cold-and-ultracold-reactions-d-para-ortho-h-2-1505.03172</loc><lastmod>2015-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-nuclear-spin-symmetry-in-cold-and-ultracold-reactions-d-para-ortho-h-2-1505.03172"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-nuclear-spin-symmetry-in-cold-and-ultracold-reactions-d-para-ortho-h-2-1505.03172"/></url>
<url><loc>https://scifaro.com/en/abs/binary-mixtures-of-chiral-gases-1505.03377</loc><lastmod>2015-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binary-mixtures-of-chiral-gases-1505.03377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binary-mixtures-of-chiral-gases-1505.03377"/></url>
<url><loc>https://scifaro.com/en/abs/universal-bound-on-the-fano-factor-in-enzyme-kinetics-1505.03450</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-bound-on-the-fano-factor-in-enzyme-kinetics-1505.03450"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-bound-on-the-fano-factor-in-enzyme-kinetics-1505.03450"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-electronic-structure-calculation-for-molecular-ionization-dynamics-at-high-x-ray-intensity-1505.04059</loc><lastmod>2015-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-electronic-structure-calculation-for-molecular-ionization-dynamics-at-high-x-ray-intensity-1505.04059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-electronic-structure-calculation-for-molecular-ionization-dynamics-at-high-x-ray-intensity-1505.04059"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-velocity-perturbation-theory-for-vibrational-circular-dichroism-an-approach-based-on-the-exact-factorization-of-the-electron-nuclear-wave-function-1505.04299</loc><lastmod>2015-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-velocity-perturbation-theory-for-vibrational-circular-dichroism-an-approach-based-on-the-exact-factorization-of-the-electron-nuclear-wave-function-1505.04299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-velocity-perturbation-theory-for-vibrational-circular-dichroism-an-approach-based-on-the-exact-factorization-of-the-electron-nuclear-wave-function-1505.04299"/></url>
<url><loc>https://scifaro.com/en/abs/accounting-for-electronic-polarization-in-nonpolarizable-force-fields-1505.04576</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accounting-for-electronic-polarization-in-nonpolarizable-force-fields-1505.04576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accounting-for-electronic-polarization-in-nonpolarizable-force-fields-1505.04576"/></url>
<url><loc>https://scifaro.com/en/abs/configurational-space-discretization-and-free-energy-calculation-in-complex-molecular-systems-1505.04655</loc><lastmod>2016-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/configurational-space-discretization-and-free-energy-calculation-in-complex-molecular-systems-1505.04655"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/configurational-space-discretization-and-free-energy-calculation-in-complex-molecular-systems-1505.04655"/></url>
<url><loc>https://scifaro.com/en/abs/relation-of-centroid-molecular-dynamics-and-ring-polymer-molecular-dynamics-to-exact-quantum-dynamics-1505.05065</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relation-of-centroid-molecular-dynamics-and-ring-polymer-molecular-dynamics-to-exact-quantum-dynamics-1505.05065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relation-of-centroid-molecular-dynamics-and-ring-polymer-molecular-dynamics-to-exact-quantum-dynamics-1505.05065"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-statistics-of-reaction-diffusion-simulations-for-molecular-communication-1505.05080</loc><lastmod>2015-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-statistics-of-reaction-diffusion-simulations-for-molecular-communication-1505.05080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-statistics-of-reaction-diffusion-simulations-for-molecular-communication-1505.05080"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-environmentally-induced-fluctuations-on-quantum-mechanically-mixed-electronic-and-vibrational-pigment-states-in-photosynthetic-energy-transfer-and-2d-electronic-spectra-1505.05281</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-environmentally-induced-fluctuations-on-quantum-mechanically-mixed-electronic-and-vibrational-pigment-states-in-photosynthetic-energy-transfer-and-2d-electronic-spectra-1505.05281"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-environmentally-induced-fluctuations-on-quantum-mechanically-mixed-electronic-and-vibrational-pigment-states-in-photosynthetic-energy-transfer-and-2d-electronic-spectra-1505.05281"/></url>
<url><loc>https://scifaro.com/en/abs/relaxation-mode-analysis-and-markov-state-relaxation-mode-analysis-for-chignolin-in-aqueous-solution-near-a-transition-temperature-1505.05287</loc><lastmod>2015-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relaxation-mode-analysis-and-markov-state-relaxation-mode-analysis-for-chignolin-in-aqueous-solution-near-a-transition-temperature-1505.05287"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relaxation-mode-analysis-and-markov-state-relaxation-mode-analysis-for-chignolin-in-aqueous-solution-near-a-transition-temperature-1505.05287"/></url>
<url><loc>https://scifaro.com/en/abs/optical-signatures-of-quantum-delocalization-over-extended-domains-in-photosynthetic-membranes-1505.05485</loc><lastmod>2015-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-signatures-of-quantum-delocalization-over-extended-domains-in-photosynthetic-membranes-1505.05485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-signatures-of-quantum-delocalization-over-extended-domains-in-photosynthetic-membranes-1505.05485"/></url>
<url><loc>https://scifaro.com/en/abs/dendrite-suppression-by-shock-electrodeposition-in-charged-porous-media-1505.05604</loc><lastmod>2016-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dendrite-suppression-by-shock-electrodeposition-in-charged-porous-media-1505.05604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dendrite-suppression-by-shock-electrodeposition-in-charged-porous-media-1505.05604"/></url>
<url><loc>https://scifaro.com/en/abs/spatially-controlled-complex-molecules-and-their-applications-1505.05632</loc><lastmod>2015-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spatially-controlled-complex-molecules-and-their-applications-1505.05632"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spatially-controlled-complex-molecules-and-their-applications-1505.05632"/></url>
<url><loc>https://scifaro.com/en/abs/nodal-surfaces-and-interdimensional-degeneracies-1505.05906</loc><lastmod>2015-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nodal-surfaces-and-interdimensional-degeneracies-1505.05906"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nodal-surfaces-and-interdimensional-degeneracies-1505.05906"/></url>
<url><loc>https://scifaro.com/en/abs/high-precision-gigahertz-to-terahertz-spectroscopy-of-aqueous-salt-solutions-as-a-probe-of-the-femtosecond-to-picosecond-dynamics-of-liquid-water-1505.07100</loc><lastmod>2015-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-precision-gigahertz-to-terahertz-spectroscopy-of-aqueous-salt-solutions-as-a-probe-of-the-femtosecond-to-picosecond-dynamics-of-liquid-water-1505.07100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-precision-gigahertz-to-terahertz-spectroscopy-of-aqueous-salt-solutions-as-a-probe-of-the-femtosecond-to-picosecond-dynamics-of-liquid-water-1505.07100"/></url>
<url><loc>https://scifaro.com/en/abs/deuteron-and-triton-magnetic-moments-from-nmr-spectra-of-the-hydrogen-molecule-1505.07251</loc><lastmod>2015-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deuteron-and-triton-magnetic-moments-from-nmr-spectra-of-the-hydrogen-molecule-1505.07251"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deuteron-and-triton-magnetic-moments-from-nmr-spectra-of-the-hydrogen-molecule-1505.07251"/></url>
<url><loc>https://scifaro.com/en/abs/resonant-diffusion-of-normal-alkanes-in-zeolites-effect-of-the-zeolite-structure-and-alkane-molecule-vibrations-1505.07574</loc><lastmod>2015-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resonant-diffusion-of-normal-alkanes-in-zeolites-effect-of-the-zeolite-structure-and-alkane-molecule-vibrations-1505.07574"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resonant-diffusion-of-normal-alkanes-in-zeolites-effect-of-the-zeolite-structure-and-alkane-molecule-vibrations-1505.07574"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemistry-for-solvated-molecules-on-graphical-processing-units-gpus-using-polarizable-continuum-models-1505.07851</loc><lastmod>2015-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemistry-for-solvated-molecules-on-graphical-processing-units-gpus-using-polarizable-continuum-models-1505.07851"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemistry-for-solvated-molecules-on-graphical-processing-units-gpus-using-polarizable-continuum-models-1505.07851"/></url>
<url><loc>https://scifaro.com/en/abs/simulations-of-room-temperature-ionic-liquids-from-polarizable-to-coarse-grained-force-fields-1505.07860</loc><lastmod>2015-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulations-of-room-temperature-ionic-liquids-from-polarizable-to-coarse-grained-force-fields-1505.07860"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulations-of-room-temperature-ionic-liquids-from-polarizable-to-coarse-grained-force-fields-1505.07860"/></url>
<url><loc>https://scifaro.com/en/abs/current-density-functional-theory-using-meta-generalized-gradient-exchange-correlation-functionals-1505.07989</loc><lastmod>2015-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/current-density-functional-theory-using-meta-generalized-gradient-exchange-correlation-functionals-1505.07989"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/current-density-functional-theory-using-meta-generalized-gradient-exchange-correlation-functionals-1505.07989"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-theory-for-atoms-and-molecules-in-strong-magnetic-fields-1505.08045</loc><lastmod>2015-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-theory-for-atoms-and-molecules-in-strong-magnetic-fields-1505.08045"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-theory-for-atoms-and-molecules-in-strong-magnetic-fields-1505.08045"/></url>
<url><loc>https://scifaro.com/en/abs/towards-automated-benchmarking-of-atomistic-forcefields-neat-liquid-densities-and-static-dielectric-constants-from-the-thermoml-data-archive-1506.00262</loc><lastmod>2015-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-automated-benchmarking-of-atomistic-forcefields-neat-liquid-densities-and-static-dielectric-constants-from-the-thermoml-data-archive-1506.00262"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-automated-benchmarking-of-atomistic-forcefields-neat-liquid-densities-and-static-dielectric-constants-from-the-thermoml-data-archive-1506.00262"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-models-for-no-decomposition-in-cu-exchanged-zeolites-1506.00371</loc><lastmod>2015-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-models-for-no-decomposition-in-cu-exchanged-zeolites-1506.00371"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-models-for-no-decomposition-in-cu-exchanged-zeolites-1506.00371"/></url>
<url><loc>https://scifaro.com/en/abs/structure-and-dynamics-of-poly-methacrylic-acid-and-its-interpolymer-complex-probed-by-covalently-bound-rhodamine-123-1506.01044</loc><lastmod>2020-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-and-dynamics-of-poly-methacrylic-acid-and-its-interpolymer-complex-probed-by-covalently-bound-rhodamine-123-1506.01044"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-and-dynamics-of-poly-methacrylic-acid-and-its-interpolymer-complex-probed-by-covalently-bound-rhodamine-123-1506.01044"/></url>
<url><loc>https://scifaro.com/en/abs/ch-pi-interaction-induced-deep-orbital-deformation-in-a-benzene-methane-weak-binding-system-1506.01139</loc><lastmod>2015-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ch-pi-interaction-induced-deep-orbital-deformation-in-a-benzene-methane-weak-binding-system-1506.01139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ch-pi-interaction-induced-deep-orbital-deformation-in-a-benzene-methane-weak-binding-system-1506.01139"/></url>
<url><loc>https://scifaro.com/en/abs/an-introduction-to-stochastic-self-assembly-theory-simulation-and-experimental-applications-1506.01740</loc><lastmod>2015-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-introduction-to-stochastic-self-assembly-theory-simulation-and-experimental-applications-1506.01740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-introduction-to-stochastic-self-assembly-theory-simulation-and-experimental-applications-1506.01740"/></url>
<url><loc>https://scifaro.com/en/abs/multi-reference-approach-to-the-calculation-of-photoelectron-spectra-including-spin-orbit-coupling-1506.01826</loc><lastmod>2016-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-reference-approach-to-the-calculation-of-photoelectron-spectra-including-spin-orbit-coupling-1506.01826"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-reference-approach-to-the-calculation-of-photoelectron-spectra-including-spin-orbit-coupling-1506.01826"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-hd-ortho-para-h-2-inelastic-scattering-of-astrophysical-interest-1506.02161</loc><lastmod>2016-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-hd-ortho-para-h-2-inelastic-scattering-of-astrophysical-interest-1506.02161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-hd-ortho-para-h-2-inelastic-scattering-of-astrophysical-interest-1506.02161"/></url>
<url><loc>https://scifaro.com/en/abs/landscape-of-an-exact-energy-functional-1506.02230</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/landscape-of-an-exact-energy-functional-1506.02230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/landscape-of-an-exact-energy-functional-1506.02230"/></url>
<url><loc>https://scifaro.com/en/abs/removing-external-degrees-of-freedom-from-transition-state-search-methods-using-quaternions-1506.02454</loc><lastmod>2015-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/removing-external-degrees-of-freedom-from-transition-state-search-methods-using-quaternions-1506.02454"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/removing-external-degrees-of-freedom-from-transition-state-search-methods-using-quaternions-1506.02454"/></url>
<url><loc>https://scifaro.com/en/abs/clear-identification-of-previously-unresolved-overlapping-resonances-in-dissociative-electron-attachment-a-case-study-on-chlorine-molecule-1506.02524</loc><lastmod>2015-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/clear-identification-of-previously-unresolved-overlapping-resonances-in-dissociative-electron-attachment-a-case-study-on-chlorine-molecule-1506.02524"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/clear-identification-of-previously-unresolved-overlapping-resonances-in-dissociative-electron-attachment-a-case-study-on-chlorine-molecule-1506.02524"/></url>
<url><loc>https://scifaro.com/en/abs/universal-threshold-law-for-ion-neutral-neutral-three-body-recombination-1506.02559</loc><lastmod>2015-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-threshold-law-for-ion-neutral-neutral-three-body-recombination-1506.02559"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-threshold-law-for-ion-neutral-neutral-three-body-recombination-1506.02559"/></url>
<url><loc>https://scifaro.com/en/abs/coulomb-pairing-resonances-in-multiple-ring-aromatic-molecules-1506.02634</loc><lastmod>2015-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coulomb-pairing-resonances-in-multiple-ring-aromatic-molecules-1506.02634"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coulomb-pairing-resonances-in-multiple-ring-aromatic-molecules-1506.02634"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-descriptors-convexity-and-structure-of-density-matrices-in-molecular-systems-1506.02652</loc><lastmod>2015-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-descriptors-convexity-and-structure-of-density-matrices-in-molecular-systems-1506.02652"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-descriptors-convexity-and-structure-of-density-matrices-in-molecular-systems-1506.02652"/></url>
<url><loc>https://scifaro.com/en/abs/controlled-synthesis-of-organic-inorganic-van-der-waals-solid-for-tunable-light-matter-interactions-1506.03241</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlled-synthesis-of-organic-inorganic-van-der-waals-solid-for-tunable-light-matter-interactions-1506.03241"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlled-synthesis-of-organic-inorganic-van-der-waals-solid-for-tunable-light-matter-interactions-1506.03241"/></url>
<url><loc>https://scifaro.com/en/abs/surface-diffusion-control-of-the-photocatalytic-oxidation-in-air-tio2-heterogeneous-reactors-1506.03581</loc><lastmod>2015-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-diffusion-control-of-the-photocatalytic-oxidation-in-air-tio2-heterogeneous-reactors-1506.03581"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-diffusion-control-of-the-photocatalytic-oxidation-in-air-tio2-heterogeneous-reactors-1506.03581"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-electron-localization-in-h-2-mixed-quantum-classical-dynamics-based-on-the-exact-time-dependent-potential-energy-surface-1506.04070</loc><lastmod>2015-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-electron-localization-in-h-2-mixed-quantum-classical-dynamics-based-on-the-exact-time-dependent-potential-energy-surface-1506.04070"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-electron-localization-in-h-2-mixed-quantum-classical-dynamics-based-on-the-exact-time-dependent-potential-energy-surface-1506.04070"/></url>
<url><loc>https://scifaro.com/en/abs/giant-thermal-rectification-from-polyethylene-nanofiber-thermal-diodes-1506.04315</loc><lastmod>2015-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/giant-thermal-rectification-from-polyethylene-nanofiber-thermal-diodes-1506.04315"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/giant-thermal-rectification-from-polyethylene-nanofiber-thermal-diodes-1506.04315"/></url>
<url><loc>https://scifaro.com/en/abs/large-scale-epitaxial-growth-kinetics-of-graphene-a-kinetic-monte-carlo-study-1506.04469</loc><lastmod>2015-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/large-scale-epitaxial-growth-kinetics-of-graphene-a-kinetic-monte-carlo-study-1506.04469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/large-scale-epitaxial-growth-kinetics-of-graphene-a-kinetic-monte-carlo-study-1506.04469"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-proof-for-resonant-diffusion-of-normal-alkanes-in-ltl-and-zsm-12-zeolites-1506.04852</loc><lastmod>2015-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-proof-for-resonant-diffusion-of-normal-alkanes-in-ltl-and-zsm-12-zeolites-1506.04852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-proof-for-resonant-diffusion-of-normal-alkanes-in-ltl-and-zsm-12-zeolites-1506.04852"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-astronomically-observed-interstellar-infrared-spectra-by-ionized-carbon-pentagon-hexagon-molecules-c9h7-n-1506.05512</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-astronomically-observed-interstellar-infrared-spectra-by-ionized-carbon-pentagon-hexagon-molecules-c9h7-n-1506.05512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-astronomically-observed-interstellar-infrared-spectra-by-ionized-carbon-pentagon-hexagon-molecules-c9h7-n-1506.05512"/></url>
<url><loc>https://scifaro.com/en/abs/exciton-localization-in-extended-pi-electron-systems-comparison-of-linear-and-cyclic-structures-1506.05522</loc><lastmod>2015-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exciton-localization-in-extended-pi-electron-systems-comparison-of-linear-and-cyclic-structures-1506.05522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exciton-localization-in-extended-pi-electron-systems-comparison-of-linear-and-cyclic-structures-1506.05522"/></url>
<url><loc>https://scifaro.com/en/abs/spin-unrestricted-random-phase-approximation-with-range-separation-benchmark-on-atomization-energies-and-reaction-barrier-heights-1506.05907</loc><lastmod>2016-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-unrestricted-random-phase-approximation-with-range-separation-benchmark-on-atomization-energies-and-reaction-barrier-heights-1506.05907"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-unrestricted-random-phase-approximation-with-range-separation-benchmark-on-atomization-energies-and-reaction-barrier-heights-1506.05907"/></url>
<url><loc>https://scifaro.com/en/abs/range-separated-double-hybrid-density-functional-theory-applied-to-periodic-systems-1506.06467</loc><lastmod>2015-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/range-separated-double-hybrid-density-functional-theory-applied-to-periodic-systems-1506.06467"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/range-separated-double-hybrid-density-functional-theory-applied-to-periodic-systems-1506.06467"/></url>
<url><loc>https://scifaro.com/en/abs/should-thermostatted-ring-polymer-molecular-dynamics-be-used-to-calculate-thermal-reaction-rates-1506.07460</loc><lastmod>2015-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/should-thermostatted-ring-polymer-molecular-dynamics-be-used-to-calculate-thermal-reaction-rates-1506.07460"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/should-thermostatted-ring-polymer-molecular-dynamics-be-used-to-calculate-thermal-reaction-rates-1506.07460"/></url>
<url><loc>https://scifaro.com/en/abs/ground-state-densities-from-the-rayleigh-ritz-variation-principle-and-from-density-functional-theory-1506.07740</loc><lastmod>2015-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ground-state-densities-from-the-rayleigh-ritz-variation-principle-and-from-density-functional-theory-1506.07740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ground-state-densities-from-the-rayleigh-ritz-variation-principle-and-from-density-functional-theory-1506.07740"/></url>
<url><loc>https://scifaro.com/en/abs/poisson-fermi-model-of-single-ion-activities-1506.07780</loc><lastmod>2015-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/poisson-fermi-model-of-single-ion-activities-1506.07780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/poisson-fermi-model-of-single-ion-activities-1506.07780"/></url>
<url><loc>https://scifaro.com/en/abs/phase-dependent-exciton-transport-and-energy-harvesting-from-thermal-environments-1506.08151</loc><lastmod>2016-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-dependent-exciton-transport-and-energy-harvesting-from-thermal-environments-1506.08151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-dependent-exciton-transport-and-energy-harvesting-from-thermal-environments-1506.08151"/></url>
<url><loc>https://scifaro.com/en/abs/detecting-electronic-coherence-by-multidimensional-broadband-stimulated-x-ray-raman-signals-1506.08226</loc><lastmod>2015-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detecting-electronic-coherence-by-multidimensional-broadband-stimulated-x-ray-raman-signals-1506.08226"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detecting-electronic-coherence-by-multidimensional-broadband-stimulated-x-ray-raman-signals-1506.08226"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-tool-to-calculate-two-dimensional-optical-spectra-for-photoactive-molecular-complexes-1506.08368</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-tool-to-calculate-two-dimensional-optical-spectra-for-photoactive-molecular-complexes-1506.08368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-tool-to-calculate-two-dimensional-optical-spectra-for-photoactive-molecular-complexes-1506.08368"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-trajectory-tests-of-radical-pair-quantum-dynamics-in-cidnp-measurements-of-photosynthetic-reaction-centers-1506.08534</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-trajectory-tests-of-radical-pair-quantum-dynamics-in-cidnp-measurements-of-photosynthetic-reaction-centers-1506.08534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-trajectory-tests-of-radical-pair-quantum-dynamics-in-cidnp-measurements-of-photosynthetic-reaction-centers-1506.08534"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-spectra-of-linear-hc-5-h-and-cumulene-carbene-h-2-c-5-1506.08720</loc><lastmod>2015-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-spectra-of-linear-hc-5-h-and-cumulene-carbene-h-2-c-5-1506.08720"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-spectra-of-linear-hc-5-h-and-cumulene-carbene-h-2-c-5-1506.08720"/></url>
<url><loc>https://scifaro.com/en/abs/the-geometric-phase-appears-in-the-ultracold-hydrogen-exchange-reaction-1506.08790</loc><lastmod>2015-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-geometric-phase-appears-in-the-ultracold-hydrogen-exchange-reaction-1506.08790"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-geometric-phase-appears-in-the-ultracold-hydrogen-exchange-reaction-1506.08790"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-geometric-phase-from-the-exact-electron-nuclear-factorization-1506.09193</loc><lastmod>2016-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-geometric-phase-from-the-exact-electron-nuclear-factorization-1506.09193"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-geometric-phase-from-the-exact-electron-nuclear-factorization-1506.09193"/></url>
<url><loc>https://scifaro.com/en/abs/memetic-algorithms-for-ligand-expulsion-from-protein-cavities-1507.00150</loc><lastmod>2019-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/memetic-algorithms-for-ligand-expulsion-from-protein-cavities-1507.00150"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/memetic-algorithms-for-ligand-expulsion-from-protein-cavities-1507.00150"/></url>
<url><loc>https://scifaro.com/en/abs/charting-the-known-chemical-space-for-non-aqueous-lithium-air-battery-electrolyte-solvents-1507.00305</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charting-the-known-chemical-space-for-non-aqueous-lithium-air-battery-electrolyte-solvents-1507.00305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charting-the-known-chemical-space-for-non-aqueous-lithium-air-battery-electrolyte-solvents-1507.00305"/></url>
<url><loc>https://scifaro.com/en/abs/improving-intermolecular-interactions-in-dftb3-using-extended-polarization-from-chemical-potential-equalization-1507.00370</loc><lastmod>2015-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-intermolecular-interactions-in-dftb3-using-extended-polarization-from-chemical-potential-equalization-1507.00370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-intermolecular-interactions-in-dftb3-using-extended-polarization-from-chemical-potential-equalization-1507.00370"/></url>
<url><loc>https://scifaro.com/en/abs/measurements-of-complex-refractive-indices-of-photoactive-yellow-protein-1507.00412</loc><lastmod>2015-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurements-of-complex-refractive-indices-of-photoactive-yellow-protein-1507.00412"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurements-of-complex-refractive-indices-of-photoactive-yellow-protein-1507.00412"/></url>
<url><loc>https://scifaro.com/en/abs/choosing-a-density-functional-for-static-molecular-polarizabilities-1507.01212</loc><lastmod>2015-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/choosing-a-density-functional-for-static-molecular-polarizabilities-1507.01212"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/choosing-a-density-functional-for-static-molecular-polarizabilities-1507.01212"/></url>
<url><loc>https://scifaro.com/en/abs/how-to-estimate-solid-electrolyte-interphase-features-when-screening-electrolyte-materials-1507.01271</loc><lastmod>2015-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-to-estimate-solid-electrolyte-interphase-features-when-screening-electrolyte-materials-1507.01271"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-to-estimate-solid-electrolyte-interphase-features-when-screening-electrolyte-materials-1507.01271"/></url>
<url><loc>https://scifaro.com/en/abs/phase-modulated-electronic-wave-packet-interferometry-reveals-high-resolution-vibronic-spectra-of-free-rb-atoms-and-rb-he-molecules-1507.01381</loc><lastmod>2017-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-modulated-electronic-wave-packet-interferometry-reveals-high-resolution-vibronic-spectra-of-free-rb-atoms-and-rb-he-molecules-1507.01381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-modulated-electronic-wave-packet-interferometry-reveals-high-resolution-vibronic-spectra-of-free-rb-atoms-and-rb-he-molecules-1507.01381"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-spin-noise-in-nmr-revisited-1507.01398</loc><lastmod>2015-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-spin-noise-in-nmr-revisited-1507.01398"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-spin-noise-in-nmr-revisited-1507.01398"/></url>
<url><loc>https://scifaro.com/en/abs/nmr-spin-lattice-relaxation-in-molecular-rotor-systems-1507.01419</loc><lastmod>2015-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nmr-spin-lattice-relaxation-in-molecular-rotor-systems-1507.01419"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nmr-spin-lattice-relaxation-in-molecular-rotor-systems-1507.01419"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-equation-of-state-for-ccs-pipeline-transport-calibration-of-mixing-rules-for-binary-mixtures-of-co2-with-n2-o2-and-h2-1507.01545</loc><lastmod>2015-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-equation-of-state-for-ccs-pipeline-transport-calibration-of-mixing-rules-for-binary-mixtures-of-co2-with-n2-o2-and-h2-1507.01545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-equation-of-state-for-ccs-pipeline-transport-calibration-of-mixing-rules-for-binary-mixtures-of-co2-with-n2-o2-and-h2-1507.01545"/></url>
<url><loc>https://scifaro.com/en/abs/polaron-dynamics-with-a-multitude-of-davydov-d-2-trial-states-1507.01758</loc><lastmod>2015-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polaron-dynamics-with-a-multitude-of-davydov-d-2-trial-states-1507.01758"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polaron-dynamics-with-a-multitude-of-davydov-d-2-trial-states-1507.01758"/></url>
<url><loc>https://scifaro.com/en/abs/two-phase-coexistence-for-the-hydrogen-helium-mixture-1507.01809</loc><lastmod>2015-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-phase-coexistence-for-the-hydrogen-helium-mixture-1507.01809"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-phase-coexistence-for-the-hydrogen-helium-mixture-1507.01809"/></url>
<url><loc>https://scifaro.com/en/abs/approximating-electronically-excited-states-with-equation-of-motion-linear-coupled-cluster-theory-1507.01969</loc><lastmod>2015-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximating-electronically-excited-states-with-equation-of-motion-linear-coupled-cluster-theory-1507.01969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximating-electronically-excited-states-with-equation-of-motion-linear-coupled-cluster-theory-1507.01969"/></url>
<url><loc>https://scifaro.com/en/abs/exchange-splitting-of-the-interaction-energy-and-the-multipole-expansion-of-the-wave-function-1507.02121</loc><lastmod>2015-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-splitting-of-the-interaction-energy-and-the-multipole-expansion-of-the-wave-function-1507.02121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-splitting-of-the-interaction-energy-and-the-multipole-expansion-of-the-wave-function-1507.02121"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-photoelectron-spectroscopy-of-non-adiabatic-dynamics-in-polyatomic-molecules-1507.02204</loc><lastmod>2015-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-photoelectron-spectroscopy-of-non-adiabatic-dynamics-in-polyatomic-molecules-1507.02204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-photoelectron-spectroscopy-of-non-adiabatic-dynamics-in-polyatomic-molecules-1507.02204"/></url>
<url><loc>https://scifaro.com/en/abs/electron-gun-for-diffraction-experiments-off-controlled-molecules-1507.02530</loc><lastmod>2016-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-gun-for-diffraction-experiments-off-controlled-molecules-1507.02530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-gun-for-diffraction-experiments-off-controlled-molecules-1507.02530"/></url>
<url><loc>https://scifaro.com/en/abs/extending-the-applicability-of-redfield-theories-into-highly-non-markovian-regimes-1507.02755</loc><lastmod>2015-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extending-the-applicability-of-redfield-theories-into-highly-non-markovian-regimes-1507.02755"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extending-the-applicability-of-redfield-theories-into-highly-non-markovian-regimes-1507.02755"/></url>
<url><loc>https://scifaro.com/en/abs/simple-improvements-to-classical-bubble-nucleation-models-1507.03309</loc><lastmod>2015-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-improvements-to-classical-bubble-nucleation-models-1507.03309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-improvements-to-classical-bubble-nucleation-models-1507.03309"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-basis-set-representation-for-calculating-electrons-in-molecules-1507.03324</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-basis-set-representation-for-calculating-electrons-in-molecules-1507.03324"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-basis-set-representation-for-calculating-electrons-in-molecules-1507.03324"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-non-covalent-interaction-energies-via-an-efficient-mp2-scaling-procedure-1507.03339</loc><lastmod>2015-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-non-covalent-interaction-energies-via-an-efficient-mp2-scaling-procedure-1507.03339"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-non-covalent-interaction-energies-via-an-efficient-mp2-scaling-procedure-1507.03339"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-precursors-induced-surface-reconstruction-at-graphene-pt-111-interfaces-1507.03368</loc><lastmod>2015-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-precursors-induced-surface-reconstruction-at-graphene-pt-111-interfaces-1507.03368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-precursors-induced-surface-reconstruction-at-graphene-pt-111-interfaces-1507.03368"/></url>
<url><loc>https://scifaro.com/en/abs/studying-chemical-reactions-in-biological-systems-with-mbn-explorer-implementation-of-molecular-mechanics-with-dynamical-topology-1507.03423</loc><lastmod>2016-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/studying-chemical-reactions-in-biological-systems-with-mbn-explorer-implementation-of-molecular-mechanics-with-dynamical-topology-1507.03423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/studying-chemical-reactions-in-biological-systems-with-mbn-explorer-implementation-of-molecular-mechanics-with-dynamical-topology-1507.03423"/></url>
<url><loc>https://scifaro.com/en/abs/alchemical-grid-dock-algdock-binding-free-energy-calculations-between-flexible-ligands-and-rigid-receptors-1507.03703</loc><lastmod>2020-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alchemical-grid-dock-algdock-binding-free-energy-calculations-between-flexible-ligands-and-rigid-receptors-1507.03703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alchemical-grid-dock-algdock-binding-free-energy-calculations-between-flexible-ligands-and-rigid-receptors-1507.03703"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-effects-in-strong-field-ionization-of-heteronuclear-diatomic-molecules-1507.04107</loc><lastmod>2016-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-effects-in-strong-field-ionization-of-heteronuclear-diatomic-molecules-1507.04107"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-effects-in-strong-field-ionization-of-heteronuclear-diatomic-molecules-1507.04107"/></url>
<url><loc>https://scifaro.com/en/abs/reduction-of-electronic-wavefunctions-to-kohn-sham-effective-potentials-1507.04565</loc><lastmod>2015-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduction-of-electronic-wavefunctions-to-kohn-sham-effective-potentials-1507.04565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduction-of-electronic-wavefunctions-to-kohn-sham-effective-potentials-1507.04565"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-into-the-potential-use-of-poly-vinyl-alcohol-methylglyoxal-fibres-as-antibacterial-wound-dressing-components-1507.04628</loc><lastmod>2015-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-into-the-potential-use-of-poly-vinyl-alcohol-methylglyoxal-fibres-as-antibacterial-wound-dressing-components-1507.04628"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-into-the-potential-use-of-poly-vinyl-alcohol-methylglyoxal-fibres-as-antibacterial-wound-dressing-components-1507.04628"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-solvation-controlled-reactions-in-stimuli-responsive-nanoreactors-1507.05776</loc><lastmod>2015-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-solvation-controlled-reactions-in-stimuli-responsive-nanoreactors-1507.05776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-solvation-controlled-reactions-in-stimuli-responsive-nanoreactors-1507.05776"/></url>
<url><loc>https://scifaro.com/en/abs/how-large-are-nonadiabatic-effects-in-atomic-and-diatomic-systems-1507.05959</loc><lastmod>2016-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-large-are-nonadiabatic-effects-in-atomic-and-diatomic-systems-1507.05959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-large-are-nonadiabatic-effects-in-atomic-and-diatomic-systems-1507.05959"/></url>
<url><loc>https://scifaro.com/en/abs/estimation-and-uncertainty-of-reversible-markov-models-1507.05990</loc><lastmod>2015-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/estimation-and-uncertainty-of-reversible-markov-models-1507.05990"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/estimation-and-uncertainty-of-reversible-markov-models-1507.05990"/></url>
<url><loc>https://scifaro.com/en/abs/light-mediated-emergence-of-surface-patterns-in-azopolymers-at-low-temperatures-1507.06414</loc><lastmod>2015-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/light-mediated-emergence-of-surface-patterns-in-azopolymers-at-low-temperatures-1507.06414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/light-mediated-emergence-of-surface-patterns-in-azopolymers-at-low-temperatures-1507.06414"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-the-chromophoric-disorder-of-poly-3-hexylthiophene-1507.06531</loc><lastmod>2015-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-the-chromophoric-disorder-of-poly-3-hexylthiophene-1507.06531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-the-chromophoric-disorder-of-poly-3-hexylthiophene-1507.06531"/></url>
<url><loc>https://scifaro.com/en/abs/temporal-fluctuations-in-excimer-like-interactions-between-pi-conjugated-chromophores-1507.06533</loc><lastmod>2015-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temporal-fluctuations-in-excimer-like-interactions-between-pi-conjugated-chromophores-1507.06533"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temporal-fluctuations-in-excimer-like-interactions-between-pi-conjugated-chromophores-1507.06533"/></url>
<url><loc>https://scifaro.com/en/abs/fluctuating-exciton-localisation-in-giant-pi-conjugated-spoked-wheel-macrocycles-1507.06536</loc><lastmod>2015-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fluctuating-exciton-localisation-in-giant-pi-conjugated-spoked-wheel-macrocycles-1507.06536"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fluctuating-exciton-localisation-in-giant-pi-conjugated-spoked-wheel-macrocycles-1507.06536"/></url>
<url><loc>https://scifaro.com/en/abs/gaussian-process-model-for-extrapolation-of-scattering-observables-for-complex-molecules-from-benzene-to-benzonitrile-1507.07175</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-process-model-for-extrapolation-of-scattering-observables-for-complex-molecules-from-benzene-to-benzonitrile-1507.07175"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-process-model-for-extrapolation-of-scattering-observables-for-complex-molecules-from-benzene-to-benzonitrile-1507.07175"/></url>
<url><loc>https://scifaro.com/en/abs/wet-spinnability-and-crosslinked-fibre-properties-of-two-collagen-polypeptides-with-varied-molecular-weight-1507.07211</loc><lastmod>2015-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wet-spinnability-and-crosslinked-fibre-properties-of-two-collagen-polypeptides-with-varied-molecular-weight-1507.07211"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wet-spinnability-and-crosslinked-fibre-properties-of-two-collagen-polypeptides-with-varied-molecular-weight-1507.07211"/></url>
<url><loc>https://scifaro.com/en/abs/pbtio-3-001-capped-with-zno-11-bar-2-0-an-ab-initio-study-of-effect-of-substrate-polarization-on-interface-composition-and-co-2-dissociation-1507.07282</loc><lastmod>2015-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pbtio-3-001-capped-with-zno-11-bar-2-0-an-ab-initio-study-of-effect-of-substrate-polarization-on-interface-composition-and-co-2-dissociation-1507.07282"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pbtio-3-001-capped-with-zno-11-bar-2-0-an-ab-initio-study-of-effect-of-substrate-polarization-on-interface-composition-and-co-2-dissociation-1507.07282"/></url>
<url><loc>https://scifaro.com/en/abs/lattice-boltzmann-model-for-electronic-structure-simulations-1507.07666</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lattice-boltzmann-model-for-electronic-structure-simulations-1507.07666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lattice-boltzmann-model-for-electronic-structure-simulations-1507.07666"/></url>
<url><loc>https://scifaro.com/en/abs/h-4-a-challenging-system-for-natural-orbital-functional-approximations-1507.08244</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/h-4-a-challenging-system-for-natural-orbital-functional-approximations-1507.08244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/h-4-a-challenging-system-for-natural-orbital-functional-approximations-1507.08244"/></url>
<url><loc>https://scifaro.com/en/abs/en-route-to-a-multi-model-scheme-for-clinker-comminution-with-chemical-grinding-aids-1507.08509</loc><lastmod>2015-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/en-route-to-a-multi-model-scheme-for-clinker-comminution-with-chemical-grinding-aids-1507.08509"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/en-route-to-a-multi-model-scheme-for-clinker-comminution-with-chemical-grinding-aids-1507.08509"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-kinetic-balance-condition-for-explicitly-correlated-basis-functions-1507.08556</loc><lastmod>2015-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-kinetic-balance-condition-for-explicitly-correlated-basis-functions-1507.08556"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-kinetic-balance-condition-for-explicitly-correlated-basis-functions-1507.08556"/></url>
<url><loc>https://scifaro.com/en/abs/van-der-waals-interactions-in-rare-gas-dimers-the-role-of-interparticle-interactions-1507.08591</loc><lastmod>2016-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/van-der-waals-interactions-in-rare-gas-dimers-the-role-of-interparticle-interactions-1507.08591"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/van-der-waals-interactions-in-rare-gas-dimers-the-role-of-interparticle-interactions-1507.08591"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-basis-set-extrapolation-1507.08684</loc><lastmod>2015-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-basis-set-extrapolation-1507.08684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-basis-set-extrapolation-1507.08684"/></url>
<url><loc>https://scifaro.com/en/abs/autoionization-of-water-does-it-really-occur-1508.00126</loc><lastmod>2020-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autoionization-of-water-does-it-really-occur-1508.00126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autoionization-of-water-does-it-really-occur-1508.00126"/></url>
<url><loc>https://scifaro.com/en/abs/dielectric-anomaly-in-ice-near-20-k-evidence-of-macroscopic-quantum-phenomena-1508.00215</loc><lastmod>2015-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dielectric-anomaly-in-ice-near-20-k-evidence-of-macroscopic-quantum-phenomena-1508.00215"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dielectric-anomaly-in-ice-near-20-k-evidence-of-macroscopic-quantum-phenomena-1508.00215"/></url>
<url><loc>https://scifaro.com/en/abs/inferential-protein-structure-determination-and-refinement-using-fast-electronic-structure-based-backbone-amide-chemical-shift-predictions-1508.00808</loc><lastmod>2015-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inferential-protein-structure-determination-and-refinement-using-fast-electronic-structure-based-backbone-amide-chemical-shift-predictions-1508.00808"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inferential-protein-structure-determination-and-refinement-using-fast-electronic-structure-based-backbone-amide-chemical-shift-predictions-1508.00808"/></url>
<url><loc>https://scifaro.com/en/abs/marcus-electron-transfer-reactions-with-bulk-metallic-catalysis-1508.00855</loc><lastmod>2015-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/marcus-electron-transfer-reactions-with-bulk-metallic-catalysis-1508.00855"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/marcus-electron-transfer-reactions-with-bulk-metallic-catalysis-1508.00855"/></url>
<url><loc>https://scifaro.com/en/abs/structure-of-the-photo-catalytically-active-surface-of-srtio3-1508.01220</loc><lastmod>2015-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-of-the-photo-catalytically-active-surface-of-srtio3-1508.01220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-of-the-photo-catalytically-active-surface-of-srtio3-1508.01220"/></url>
<url><loc>https://scifaro.com/en/abs/fast-numerical-evaluation-of-time-derivative-nonadiabatic-couplings-for-mixed-quantum-classical-methods-1508.01381</loc><lastmod>2015-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-numerical-evaluation-of-time-derivative-nonadiabatic-couplings-for-mixed-quantum-classical-methods-1508.01381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-numerical-evaluation-of-time-derivative-nonadiabatic-couplings-for-mixed-quantum-classical-methods-1508.01381"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-internally-contracted-multireference-electron-correlation-methods-1508.01461</loc><lastmod>2015-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-internally-contracted-multireference-electron-correlation-methods-1508.01461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-internally-contracted-multireference-electron-correlation-methods-1508.01461"/></url>
<url><loc>https://scifaro.com/en/abs/challenging-the-lieb-oxford-bound-in-a-systematic-way-1508.01715</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/challenging-the-lieb-oxford-bound-in-a-systematic-way-1508.01715"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/challenging-the-lieb-oxford-bound-in-a-systematic-way-1508.01715"/></url>
<url><loc>https://scifaro.com/en/abs/energies-for-cyclic-and-acyclic-aggregations-of-adamantane-and-diamantane-units-sharing-vertices-edges-or-six-membered-rings-1508.02249</loc><lastmod>2016-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energies-for-cyclic-and-acyclic-aggregations-of-adamantane-and-diamantane-units-sharing-vertices-edges-or-six-membered-rings-1508.02249"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energies-for-cyclic-and-acyclic-aggregations-of-adamantane-and-diamantane-units-sharing-vertices-edges-or-six-membered-rings-1508.02249"/></url>
<url><loc>https://scifaro.com/en/abs/stress-and-heat-flux-for-arbitrary-multi-body-potentials-a-unified-framework-1508.02250</loc><lastmod>2015-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stress-and-heat-flux-for-arbitrary-multi-body-potentials-a-unified-framework-1508.02250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stress-and-heat-flux-for-arbitrary-multi-body-potentials-a-unified-framework-1508.02250"/></url>
<url><loc>https://scifaro.com/en/abs/vapor-transport-of-a-volatile-solvent-for-a-multicomponent-aerosol-droplet-1508.02251</loc><lastmod>2015-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vapor-transport-of-a-volatile-solvent-for-a-multicomponent-aerosol-droplet-1508.02251"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vapor-transport-of-a-volatile-solvent-for-a-multicomponent-aerosol-droplet-1508.02251"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-and-rovibrational-quantum-chemical-analysis-of-c-3-p-the-next-interstellar-anion-1508.02386</loc><lastmod>2015-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-and-rovibrational-quantum-chemical-analysis-of-c-3-p-the-next-interstellar-anion-1508.02386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-and-rovibrational-quantum-chemical-analysis-of-c-3-p-the-next-interstellar-anion-1508.02386"/></url>
<url><loc>https://scifaro.com/en/abs/uniform-electron-gases-iii-low-density-gases-on-three-dimensional-spheres-1508.02491</loc><lastmod>2015-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uniform-electron-gases-iii-low-density-gases-on-three-dimensional-spheres-1508.02491"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uniform-electron-gases-iii-low-density-gases-on-three-dimensional-spheres-1508.02491"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-potential-as-a-descriptor-of-anti-bacterial-activities-of-some-anacardic-acid-derivatives-a-study-using-density-functional-theory-1508.02551</loc><lastmod>2015-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-potential-as-a-descriptor-of-anti-bacterial-activities-of-some-anacardic-acid-derivatives-a-study-using-density-functional-theory-1508.02551"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-potential-as-a-descriptor-of-anti-bacterial-activities-of-some-anacardic-acid-derivatives-a-study-using-density-functional-theory-1508.02551"/></url>
<url><loc>https://scifaro.com/en/abs/linearized-coupled-cluster-correction-on-the-antisymmetric-product-of-1-reference-orbital-geminals-1508.02782</loc><lastmod>2016-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linearized-coupled-cluster-correction-on-the-antisymmetric-product-of-1-reference-orbital-geminals-1508.02782"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linearized-coupled-cluster-correction-on-the-antisymmetric-product-of-1-reference-orbital-geminals-1508.02782"/></url>
<url><loc>https://scifaro.com/en/abs/concatenated-composite-pulses-applied-to-liquid-state-nuclear-magnetic-resonance-spectroscopy-1508.02983</loc><lastmod>2020-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/concatenated-composite-pulses-applied-to-liquid-state-nuclear-magnetic-resonance-spectroscopy-1508.02983"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/concatenated-composite-pulses-applied-to-liquid-state-nuclear-magnetic-resonance-spectroscopy-1508.02983"/></url>
<url><loc>https://scifaro.com/en/abs/introduction-to-the-variational-and-diffusion-monte-carlo-methods-1508.02989</loc><lastmod>2015-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/introduction-to-the-variational-and-diffusion-monte-carlo-methods-1508.02989"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/introduction-to-the-variational-and-diffusion-monte-carlo-methods-1508.02989"/></url>
<url><loc>https://scifaro.com/en/abs/photodissociation-spectroscopy-of-the-dysprosium-monochloride-molecular-ion-1508.03025</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photodissociation-spectroscopy-of-the-dysprosium-monochloride-molecular-ion-1508.03025"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photodissociation-spectroscopy-of-the-dysprosium-monochloride-molecular-ion-1508.03025"/></url>
<url><loc>https://scifaro.com/en/abs/range-separated-time-dependent-density-functional-theory-with-a-frequency-dependent-second-order-bethe-salpeter-correlation-kernel-1508.03355</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/range-separated-time-dependent-density-functional-theory-with-a-frequency-dependent-second-order-bethe-salpeter-correlation-kernel-1508.03355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/range-separated-time-dependent-density-functional-theory-with-a-frequency-dependent-second-order-bethe-salpeter-correlation-kernel-1508.03355"/></url>
<url><loc>https://scifaro.com/en/abs/visualization-and-analysis-of-the-kohn-sham-kinetic-energy-density-and-its-orbital-free-description-in-molecules-1508.03396</loc><lastmod>2016-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visualization-and-analysis-of-the-kohn-sham-kinetic-energy-density-and-its-orbital-free-description-in-molecules-1508.03396"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visualization-and-analysis-of-the-kohn-sham-kinetic-energy-density-and-its-orbital-free-description-in-molecules-1508.03396"/></url>
<url><loc>https://scifaro.com/en/abs/steering-proton-migration-in-hydrocarbons-using-intense-few-cycle-laser-fields-1508.04018</loc><lastmod>2017-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steering-proton-migration-in-hydrocarbons-using-intense-few-cycle-laser-fields-1508.04018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steering-proton-migration-in-hydrocarbons-using-intense-few-cycle-laser-fields-1508.04018"/></url>
<url><loc>https://scifaro.com/en/abs/the-compression-property-of-hydrogen-at-megabar-pressures-and-the-form-of-the-repulsive-interaction-potential-in-hydrogen-at-short-distances-1508.04130</loc><lastmod>2015-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-compression-property-of-hydrogen-at-megabar-pressures-and-the-form-of-the-repulsive-interaction-potential-in-hydrogen-at-short-distances-1508.04130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-compression-property-of-hydrogen-at-megabar-pressures-and-the-form-of-the-repulsive-interaction-potential-in-hydrogen-at-short-distances-1508.04130"/></url>
<url><loc>https://scifaro.com/en/abs/water-exchange-at-a-hydrated-platinum-electrode-is-rare-and-collective-1508.04430</loc><lastmod>2015-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-exchange-at-a-hydrated-platinum-electrode-is-rare-and-collective-1508.04430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-exchange-at-a-hydrated-platinum-electrode-is-rare-and-collective-1508.04430"/></url>
<url><loc>https://scifaro.com/en/abs/combinatorial-approach-for-development-of-new-metal-oxides-materials-for-all-oxide-photovoltaics-1508.04626</loc><lastmod>2015-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combinatorial-approach-for-development-of-new-metal-oxides-materials-for-all-oxide-photovoltaics-1508.04626"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combinatorial-approach-for-development-of-new-metal-oxides-materials-for-all-oxide-photovoltaics-1508.04626"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-green-s-functions-and-an-instanton-formulation-of-electron-transfer-rates-in-the-nonadiabatic-limit-1508.04919</loc><lastmod>2015-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-green-s-functions-and-an-instanton-formulation-of-electron-transfer-rates-in-the-nonadiabatic-limit-1508.04919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-green-s-functions-and-an-instanton-formulation-of-electron-transfer-rates-in-the-nonadiabatic-limit-1508.04919"/></url>
<url><loc>https://scifaro.com/en/abs/ring-polymer-instanton-theory-of-electron-transfer-in-the-nonadiabatic-limit-1508.05195</loc><lastmod>2015-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ring-polymer-instanton-theory-of-electron-transfer-in-the-nonadiabatic-limit-1508.05195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ring-polymer-instanton-theory-of-electron-transfer-in-the-nonadiabatic-limit-1508.05195"/></url>
<url><loc>https://scifaro.com/en/abs/rate-equations-for-nitrogen-molecules-in-ultrashort-and-intense-x-ray-pulses-1508.05223</loc><lastmod>2017-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rate-equations-for-nitrogen-molecules-in-ultrashort-and-intense-x-ray-pulses-1508.05223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rate-equations-for-nitrogen-molecules-in-ultrashort-and-intense-x-ray-pulses-1508.05223"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-energies-of-2-m-elpasolite-abc-2-d-6-crystals-1508.05315</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-energies-of-2-m-elpasolite-abc-2-d-6-crystals-1508.05315"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-energies-of-2-m-elpasolite-abc-2-d-6-crystals-1508.05315"/></url>
<url><loc>https://scifaro.com/en/abs/how-to-obtain-thermostatted-ring-polymer-molecular-dynamics-from-exact-quantum-dynamics-and-when-to-use-it-1508.05820</loc><lastmod>2016-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-to-obtain-thermostatted-ring-polymer-molecular-dynamics-from-exact-quantum-dynamics-and-when-to-use-it-1508.05820"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-to-obtain-thermostatted-ring-polymer-molecular-dynamics-from-exact-quantum-dynamics-and-when-to-use-it-1508.05820"/></url>
<url><loc>https://scifaro.com/en/abs/mechano-chemical-spinodal-decomposition-a-phenomenological-theory-of-phase-transformations-in-multi-component-crystalline-solids-1508.05930</loc><lastmod>2016-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechano-chemical-spinodal-decomposition-a-phenomenological-theory-of-phase-transformations-in-multi-component-crystalline-solids-1508.05930"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechano-chemical-spinodal-decomposition-a-phenomenological-theory-of-phase-transformations-in-multi-component-crystalline-solids-1508.05930"/></url>
<url><loc>https://scifaro.com/en/abs/a-local-approximation-of-fundamental-measure-theory-incorporated-into-three-dimensional-poisson-nernst-planck-equations-to-account-for-hard-sphere-repulsion-among-ions-1508.06427</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-local-approximation-of-fundamental-measure-theory-incorporated-into-three-dimensional-poisson-nernst-planck-equations-to-account-for-hard-sphere-repulsion-among-ions-1508.06427"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-local-approximation-of-fundamental-measure-theory-incorporated-into-three-dimensional-poisson-nernst-planck-equations-to-account-for-hard-sphere-repulsion-among-ions-1508.06427"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-theory-of-proton-solid-echo-in-polymer-melts-1508.06487</loc><lastmod>2015-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-theory-of-proton-solid-echo-in-polymer-melts-1508.06487"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-theory-of-proton-solid-echo-in-polymer-melts-1508.06487"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-cells-with-intermediate-capacitor-elements-1508.06565</loc><lastmod>2015-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-cells-with-intermediate-capacitor-elements-1508.06565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-cells-with-intermediate-capacitor-elements-1508.06565"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-point-charge-fitting-as-an-inverse-problem-revealing-the-underlying-ill-conditioning-1508.07033</loc><lastmod>2015-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-point-charge-fitting-as-an-inverse-problem-revealing-the-underlying-ill-conditioning-1508.07033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-point-charge-fitting-as-an-inverse-problem-revealing-the-underlying-ill-conditioning-1508.07033"/></url>
<url><loc>https://scifaro.com/en/abs/state-of-the-art-for-ab-initio-vs-empirical-potentials-for-predicting-6e-excited-state-molecular-energies-application-to-li-2-left-b-1-3-pi-u-right-1508.07184</loc><lastmod>2015-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-of-the-art-for-ab-initio-vs-empirical-potentials-for-predicting-6e-excited-state-molecular-energies-application-to-li-2-left-b-1-3-pi-u-right-1508.07184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-of-the-art-for-ab-initio-vs-empirical-potentials-for-predicting-6e-excited-state-molecular-energies-application-to-li-2-left-b-1-3-pi-u-right-1508.07184"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-density-functional-methods-for-exciton-binding-energies-and-related-optoelectronic-properties-1508.07396</loc><lastmod>2015-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-density-functional-methods-for-exciton-binding-energies-and-related-optoelectronic-properties-1508.07396"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-density-functional-methods-for-exciton-binding-energies-and-related-optoelectronic-properties-1508.07396"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-oxygen-in-architecting-large-scale-nonpolar-gan-nanowires-1508.07425</loc><lastmod>2015-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-oxygen-in-architecting-large-scale-nonpolar-gan-nanowires-1508.07425"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-oxygen-in-architecting-large-scale-nonpolar-gan-nanowires-1508.07425"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-in-plane-and-bridging-oxygen-vacancies-of-sno-2-nanostructures-on-ch-4-sensing-at-low-operating-temperatures-1508.07436</loc><lastmod>2015-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-in-plane-and-bridging-oxygen-vacancies-of-sno-2-nanostructures-on-ch-4-sensing-at-low-operating-temperatures-1508.07436"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-in-plane-and-bridging-oxygen-vacancies-of-sno-2-nanostructures-on-ch-4-sensing-at-low-operating-temperatures-1508.07436"/></url>
<url><loc>https://scifaro.com/en/abs/elimination-of-the-asymptotic-fractional-dissociation-problem-in-kohn-sham-density-functional-theory-using-the-ensemble-generalization-approach-1508.07580</loc><lastmod>2015-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elimination-of-the-asymptotic-fractional-dissociation-problem-in-kohn-sham-density-functional-theory-using-the-ensemble-generalization-approach-1508.07580"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elimination-of-the-asymptotic-fractional-dissociation-problem-in-kohn-sham-density-functional-theory-using-the-ensemble-generalization-approach-1508.07580"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-ensemble-generalization-on-the-highest-occupied-kohn-sham-eigenvalue-1508.07795</loc><lastmod>2015-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-ensemble-generalization-on-the-highest-occupied-kohn-sham-eigenvalue-1508.07795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-ensemble-generalization-on-the-highest-occupied-kohn-sham-eigenvalue-1508.07795"/></url>
<url><loc>https://scifaro.com/en/abs/multireference-linearized-coupled-cluster-theory-for-strongly-correlated-systems-using-matrix-product-states-1509.00216</loc><lastmod>2015-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multireference-linearized-coupled-cluster-theory-for-strongly-correlated-systems-using-matrix-product-states-1509.00216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multireference-linearized-coupled-cluster-theory-for-strongly-correlated-systems-using-matrix-product-states-1509.00216"/></url>
<url><loc>https://scifaro.com/en/abs/physical-nature-of-hydrogen-bond-1509.00295</loc><lastmod>2015-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physical-nature-of-hydrogen-bond-1509.00295"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physical-nature-of-hydrogen-bond-1509.00295"/></url>
<url><loc>https://scifaro.com/en/abs/one-electron-self-interaction-and-the-asymptotics-of-the-kohn-sham-potential-an-impaired-relation-1509.00624</loc><lastmod>2016-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/one-electron-self-interaction-and-the-asymptotics-of-the-kohn-sham-potential-an-impaired-relation-1509.00624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/one-electron-self-interaction-and-the-asymptotics-of-the-kohn-sham-potential-an-impaired-relation-1509.00624"/></url>
<url><loc>https://scifaro.com/en/abs/tunneling-of-electrons-via-rotor-stator-molecular-interfaces-combined-ab-initio-and-model-study-1509.00848</loc><lastmod>2016-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tunneling-of-electrons-via-rotor-stator-molecular-interfaces-combined-ab-initio-and-model-study-1509.00848"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tunneling-of-electrons-via-rotor-stator-molecular-interfaces-combined-ab-initio-and-model-study-1509.00848"/></url>
<url><loc>https://scifaro.com/en/abs/configuration-averaged-4f-orbitals-in-ab-initio-calculations-of-low-lying-crystal-field-levels-in-lanthanide-iii-complexes-1509.00974</loc><lastmod>2016-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/configuration-averaged-4f-orbitals-in-ab-initio-calculations-of-low-lying-crystal-field-levels-in-lanthanide-iii-complexes-1509.00974"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/configuration-averaged-4f-orbitals-in-ab-initio-calculations-of-low-lying-crystal-field-levels-in-lanthanide-iii-complexes-1509.00974"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-accuracy-from-quantum-monte-carlo-for-the-benzene-dimer-1509.00995</loc><lastmod>2015-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-accuracy-from-quantum-monte-carlo-for-the-benzene-dimer-1509.00995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-accuracy-from-quantum-monte-carlo-for-the-benzene-dimer-1509.00995"/></url>
<url><loc>https://scifaro.com/en/abs/holomorphic-hartree-fock-theory-an-inherently-multireference-approach-1509.01179</loc><lastmod>2015-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/holomorphic-hartree-fock-theory-an-inherently-multireference-approach-1509.01179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/holomorphic-hartree-fock-theory-an-inherently-multireference-approach-1509.01179"/></url>
<url><loc>https://scifaro.com/en/abs/non-enzymatic-graphene-based-biosensors-for-continuous-glucose-monitoring-1509.01581</loc><lastmod>2015-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-enzymatic-graphene-based-biosensors-for-continuous-glucose-monitoring-1509.01581"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-enzymatic-graphene-based-biosensors-for-continuous-glucose-monitoring-1509.01581"/></url>
<url><loc>https://scifaro.com/en/abs/field-free-long-lived-alignment-of-molecules-in-extreme-rotational-states-1509.01891</loc><lastmod>2016-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/field-free-long-lived-alignment-of-molecules-in-extreme-rotational-states-1509.01891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/field-free-long-lived-alignment-of-molecules-in-extreme-rotational-states-1509.01891"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-chain-of-states-method-in-acceleration-space-for-the-efficient-location-of-minimum-energy-paths-1509.02270</loc><lastmod>2015-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-chain-of-states-method-in-acceleration-space-for-the-efficient-location-of-minimum-energy-paths-1509.02270"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-chain-of-states-method-in-acceleration-space-for-the-efficient-location-of-minimum-energy-paths-1509.02270"/></url>
<url><loc>https://scifaro.com/en/abs/rapid-computation-of-thermodynamic-properties-over-multidimensional-nonbonded-parameter-spaces-using-adaptive-multistate-reweighting-1509.02560</loc><lastmod>2016-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rapid-computation-of-thermodynamic-properties-over-multidimensional-nonbonded-parameter-spaces-using-adaptive-multistate-reweighting-1509.02560"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rapid-computation-of-thermodynamic-properties-over-multidimensional-nonbonded-parameter-spaces-using-adaptive-multistate-reweighting-1509.02560"/></url>
<url><loc>https://scifaro.com/en/abs/strain-induced-water-dissociation-on-supported-ultrathin-oxide-films-1509.02632</loc><lastmod>2016-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strain-induced-water-dissociation-on-supported-ultrathin-oxide-films-1509.02632"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strain-induced-water-dissociation-on-supported-ultrathin-oxide-films-1509.02632"/></url>
<url><loc>https://scifaro.com/en/abs/direct-laser-planting-of-hybrid-au-ag-c-nanostructures-nanoparticles-flakes-and-flowers-1509.02690</loc><lastmod>2015-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-laser-planting-of-hybrid-au-ag-c-nanostructures-nanoparticles-flakes-and-flowers-1509.02690"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-laser-planting-of-hybrid-au-ag-c-nanostructures-nanoparticles-flakes-and-flowers-1509.02690"/></url>
<url><loc>https://scifaro.com/en/abs/benchmarking-calculations-of-excitonic-couplings-between-bacteriochlorophylls-1509.02772</loc><lastmod>2016-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-calculations-of-excitonic-couplings-between-bacteriochlorophylls-1509.02772"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-calculations-of-excitonic-couplings-between-bacteriochlorophylls-1509.02772"/></url>
<url><loc>https://scifaro.com/en/abs/generation-of-highly-reactive-oxygen-species-by-co-adsorption-of-oxygen-and-water-on-metal-supported-mgo-100-thinfilms-1509.02838</loc><lastmod>2016-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generation-of-highly-reactive-oxygen-species-by-co-adsorption-of-oxygen-and-water-on-metal-supported-mgo-100-thinfilms-1509.02838"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generation-of-highly-reactive-oxygen-species-by-co-adsorption-of-oxygen-and-water-on-metal-supported-mgo-100-thinfilms-1509.02838"/></url>
<url><loc>https://scifaro.com/en/abs/fast-and-accurate-predictions-of-covalent-bonds-in-chemical-space-1509.02847</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-and-accurate-predictions-of-covalent-bonds-in-chemical-space-1509.02847"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-and-accurate-predictions-of-covalent-bonds-in-chemical-space-1509.02847"/></url>
<url><loc>https://scifaro.com/en/abs/connection-formulas-for-thermal-density-functional-theory-1509.03060</loc><lastmod>2016-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/connection-formulas-for-thermal-density-functional-theory-1509.03060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/connection-formulas-for-thermal-density-functional-theory-1509.03060"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-density-functional-theory-time-dependent-linear-response-and-approximate-functionals-from-the-fluctuation-dissipation-theorem-1509.03071</loc><lastmod>2016-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-density-functional-theory-time-dependent-linear-response-and-approximate-functionals-from-the-fluctuation-dissipation-theorem-1509.03071"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-density-functional-theory-time-dependent-linear-response-and-approximate-functionals-from-the-fluctuation-dissipation-theorem-1509.03071"/></url>
<url><loc>https://scifaro.com/en/abs/efficiency-of-a-multi-reference-coupled-cluster-method-1509.03114</loc><lastmod>2016-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficiency-of-a-multi-reference-coupled-cluster-method-1509.03114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficiency-of-a-multi-reference-coupled-cluster-method-1509.03114"/></url>
<url><loc>https://scifaro.com/en/abs/heuristics-guided-exploration-of-reaction-mechanisms-1509.03120</loc><lastmod>2016-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heuristics-guided-exploration-of-reaction-mechanisms-1509.03120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heuristics-guided-exploration-of-reaction-mechanisms-1509.03120"/></url>
<url><loc>https://scifaro.com/en/abs/combinations-of-coupled-cluster-density-functionals-and-the-random-phase-approximation-for-describing-static-and-dynamic-correlation-and-van-der-waals-interactions-1509.03251</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combinations-of-coupled-cluster-density-functionals-and-the-random-phase-approximation-for-describing-static-and-dynamic-correlation-and-van-der-waals-interactions-1509.03251"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combinations-of-coupled-cluster-density-functionals-and-the-random-phase-approximation-for-describing-static-and-dynamic-correlation-and-van-der-waals-interactions-1509.03251"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dynamics-of-incoherently-driven-v-type-system-analytic-solutions-beyond-the-secular-approximation-1509.03399</loc><lastmod>2016-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamics-of-incoherently-driven-v-type-system-analytic-solutions-beyond-the-secular-approximation-1509.03399"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamics-of-incoherently-driven-v-type-system-analytic-solutions-beyond-the-secular-approximation-1509.03399"/></url>
<url><loc>https://scifaro.com/en/abs/bonding-in-molecular-crystals-from-the-local-electronic-pressure-viewpoint-1509.04070</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bonding-in-molecular-crystals-from-the-local-electronic-pressure-viewpoint-1509.04070"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bonding-in-molecular-crystals-from-the-local-electronic-pressure-viewpoint-1509.04070"/></url>
<url><loc>https://scifaro.com/en/abs/concept-of-chemical-bond-and-aromaticity-based-on-quantum-information-theory-1509.04241</loc><lastmod>2015-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/concept-of-chemical-bond-and-aromaticity-based-on-quantum-information-theory-1509.04241"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/concept-of-chemical-bond-and-aromaticity-based-on-quantum-information-theory-1509.04241"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-temperature-dependent-green-s-functions-methods-for-realistic-systems-compact-grids-for-orthogonal-polynomial-transforms-1509.04262</loc><lastmod>2016-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-temperature-dependent-green-s-functions-methods-for-realistic-systems-compact-grids-for-orthogonal-polynomial-transforms-1509.04262"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-temperature-dependent-green-s-functions-methods-for-realistic-systems-compact-grids-for-orthogonal-polynomial-transforms-1509.04262"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-ionization-of-embedded-clusters-by-electron-transfer-mediated-decay-in-helium-nanodroplets-1509.04569</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-ionization-of-embedded-clusters-by-electron-transfer-mediated-decay-in-helium-nanodroplets-1509.04569"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-ionization-of-embedded-clusters-by-electron-transfer-mediated-decay-in-helium-nanodroplets-1509.04569"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-characterization-of-crystalline-and-glass-phases-of-deuterated-1-1-2-2-tetrachloroethane-1509.04753</loc><lastmod>2015-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-characterization-of-crystalline-and-glass-phases-of-deuterated-1-1-2-2-tetrachloroethane-1509.04753"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-characterization-of-crystalline-and-glass-phases-of-deuterated-1-1-2-2-tetrachloroethane-1509.04753"/></url>
<url><loc>https://scifaro.com/en/abs/remarks-on-energetic-conditions-for-positronium-formation-in-non-polar-solids-coupled-dipole-method-application-1509.04855</loc><lastmod>2015-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/remarks-on-energetic-conditions-for-positronium-formation-in-non-polar-solids-coupled-dipole-method-application-1509.04855"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/remarks-on-energetic-conditions-for-positronium-formation-in-non-polar-solids-coupled-dipole-method-application-1509.04855"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-ionization-of-ferrocene-eoes-of-alpha-and-beta-electrons-and-the-fingerprint-orbital-of-ferrocenium-1509.05122</loc><lastmod>2015-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-ionization-of-ferrocene-eoes-of-alpha-and-beta-electrons-and-the-fingerprint-orbital-of-ferrocenium-1509.05122"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-ionization-of-ferrocene-eoes-of-alpha-and-beta-electrons-and-the-fingerprint-orbital-of-ferrocenium-1509.05122"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-chemical-study-from-a-molecular-perspective-ionization-and-electron-attachment-energies-for-species-often-used-to-fabricate-single-molecule-junctions-1509.05571</loc><lastmod>2015-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-chemical-study-from-a-molecular-perspective-ionization-and-electron-attachment-energies-for-species-often-used-to-fabricate-single-molecule-junctions-1509.05571"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-chemical-study-from-a-molecular-perspective-ionization-and-electron-attachment-energies-for-species-often-used-to-fabricate-single-molecule-junctions-1509.05571"/></url>
<url><loc>https://scifaro.com/en/abs/4-4-bipyridine-in-vacuo-and-in-solvents-a-quantum-chemical-study-of-a-prototypical-floppy-molecule-from-a-molecular-transport-perspective-1509.05575</loc><lastmod>2017-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/4-4-bipyridine-in-vacuo-and-in-solvents-a-quantum-chemical-study-of-a-prototypical-floppy-molecule-from-a-molecular-transport-perspective-1509.05575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/4-4-bipyridine-in-vacuo-and-in-solvents-a-quantum-chemical-study-of-a-prototypical-floppy-molecule-from-a-molecular-transport-perspective-1509.05575"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-setup-a-unique-chance-to-simultaneously-control-orbital-energies-and-vibrational-properties-of-single-molecule-junctions-with-unprecedented-efficiency-1509.05579</loc><lastmod>2015-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-setup-a-unique-chance-to-simultaneously-control-orbital-energies-and-vibrational-properties-of-single-molecule-junctions-with-unprecedented-efficiency-1509.05579"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-setup-a-unique-chance-to-simultaneously-control-orbital-energies-and-vibrational-properties-of-single-molecule-junctions-with-unprecedented-efficiency-1509.05579"/></url>
<url><loc>https://scifaro.com/en/abs/tunneling-chemical-exchange-reaction-textrm-d-textrm-hd-rightarrow-textrm-d-2-textrm-h-in-solid-hd-and-d-2-at-temperatures-below-1-k-1509.05588</loc><lastmod>2016-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tunneling-chemical-exchange-reaction-textrm-d-textrm-hd-rightarrow-textrm-d-2-textrm-h-in-solid-hd-and-d-2-at-temperatures-below-1-k-1509.05588"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tunneling-chemical-exchange-reaction-textrm-d-textrm-hd-rightarrow-textrm-d-2-textrm-h-in-solid-hd-and-d-2-at-temperatures-below-1-k-1509.05588"/></url>
<url><loc>https://scifaro.com/en/abs/important-issues-facing-model-based-approaches-to-tunneling-transport-in-molecular-junctions-1509.05651</loc><lastmod>2015-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/important-issues-facing-model-based-approaches-to-tunneling-transport-in-molecular-junctions-1509.05651"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/important-issues-facing-model-based-approaches-to-tunneling-transport-in-molecular-junctions-1509.05651"/></url>
<url><loc>https://scifaro.com/en/abs/an-important-impact-of-the-molecule-electrode-couplings-asymmetry-on-the-efficiency-of-bias-driven-redox-processes-in-molecular-junctions-1509.05654</loc><lastmod>2015-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-important-impact-of-the-molecule-electrode-couplings-asymmetry-on-the-efficiency-of-bias-driven-redox-processes-in-molecular-junctions-1509.05654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-important-impact-of-the-molecule-electrode-couplings-asymmetry-on-the-efficiency-of-bias-driven-redox-processes-in-molecular-junctions-1509.05654"/></url>
<url><loc>https://scifaro.com/en/abs/activated-carbon-is-an-electron-conducting-amphoteric-ion-adsorbent-1509.06354</loc><lastmod>2015-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/activated-carbon-is-an-electron-conducting-amphoteric-ion-adsorbent-1509.06354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/activated-carbon-is-an-electron-conducting-amphoteric-ion-adsorbent-1509.06354"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-non-parametric-fitting-of-potential-energy-surfaces-for-polyatomic-molecules-with-gaussian-processes-1509.06473</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-non-parametric-fitting-of-potential-energy-surfaces-for-polyatomic-molecules-with-gaussian-processes-1509.06473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-non-parametric-fitting-of-potential-energy-surfaces-for-polyatomic-molecules-with-gaussian-processes-1509.06473"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-potentials-and-vibrational-energies-for-li-2-states-dissociating-to-mbox-li-left-2s-right-mbox-li-left-3p-right-part-1-the-2s-1-pi-u-g-states-1509.07041</loc><lastmod>2015-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-potentials-and-vibrational-energies-for-li-2-states-dissociating-to-mbox-li-left-2s-right-mbox-li-left-3p-right-part-1-the-2s-1-pi-u-g-states-1509.07041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-potentials-and-vibrational-energies-for-li-2-states-dissociating-to-mbox-li-left-2s-right-mbox-li-left-3p-right-part-1-the-2s-1-pi-u-g-states-1509.07041"/></url>
<url><loc>https://scifaro.com/en/abs/triplet-polaron-interaction-induced-upconversion-from-triplet-to-singlet-a-new-way-to-obtain-highly-efficient-oleds-1509.07224</loc><lastmod>2015-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/triplet-polaron-interaction-induced-upconversion-from-triplet-to-singlet-a-new-way-to-obtain-highly-efficient-oleds-1509.07224"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/triplet-polaron-interaction-induced-upconversion-from-triplet-to-singlet-a-new-way-to-obtain-highly-efficient-oleds-1509.07224"/></url>
<url><loc>https://scifaro.com/en/abs/selective-electrochemical-generation-of-hydrogen-peroxide-from-water-oxidation-1509.07444</loc><lastmod>2016-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selective-electrochemical-generation-of-hydrogen-peroxide-from-water-oxidation-1509.07444"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selective-electrochemical-generation-of-hydrogen-peroxide-from-water-oxidation-1509.07444"/></url>
<url><loc>https://scifaro.com/en/abs/glucans-monomer-exchange-dynamics-as-an-open-chemical-network-1509.07446</loc><lastmod>2016-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/glucans-monomer-exchange-dynamics-as-an-open-chemical-network-1509.07446"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/glucans-monomer-exchange-dynamics-as-an-open-chemical-network-1509.07446"/></url>
<url><loc>https://scifaro.com/en/abs/binding-energies-from-diffusion-monte-carlo-for-the-mb-pol-h-2o-and-d-2o-dimer-a-comparison-to-experimental-values-1509.07467</loc><lastmod>2015-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binding-energies-from-diffusion-monte-carlo-for-the-mb-pol-h-2o-and-d-2o-dimer-a-comparison-to-experimental-values-1509.07467"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binding-energies-from-diffusion-monte-carlo-for-the-mb-pol-h-2o-and-d-2o-dimer-a-comparison-to-experimental-values-1509.07467"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-a-coarse-grained-water-forcefield-via-multistate-iterative-boltzmann-inversion-1509.07887</loc><lastmod>2015-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-a-coarse-grained-water-forcefield-via-multistate-iterative-boltzmann-inversion-1509.07887"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-a-coarse-grained-water-forcefield-via-multistate-iterative-boltzmann-inversion-1509.07887"/></url>
<url><loc>https://scifaro.com/en/abs/combining-linear-interpolation-with-extrapolation-methods-in-range-separated-ensemble-density-functional-theory-1509.08033</loc><lastmod>2018-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-linear-interpolation-with-extrapolation-methods-in-range-separated-ensemble-density-functional-theory-1509.08033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-linear-interpolation-with-extrapolation-methods-in-range-separated-ensemble-density-functional-theory-1509.08033"/></url>
<url><loc>https://scifaro.com/en/abs/optimal-size-for-emergence-of-self-replicating-polymer-system-1509.08865</loc><lastmod>2018-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-size-for-emergence-of-self-replicating-polymer-system-1509.08865"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-size-for-emergence-of-self-replicating-polymer-system-1509.08865"/></url>
<url><loc>https://scifaro.com/en/abs/mixed-random-walks-with-a-trap-in-scale-free-networks-including-nearest-neighbor-and-next-nearest-neighbor-jumps-1509.09239</loc><lastmod>2015-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixed-random-walks-with-a-trap-in-scale-free-networks-including-nearest-neighbor-and-next-nearest-neighbor-jumps-1509.09239"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixed-random-walks-with-a-trap-in-scale-free-networks-including-nearest-neighbor-and-next-nearest-neighbor-jumps-1509.09239"/></url>
<url><loc>https://scifaro.com/en/abs/unusual-dissociative-adsorption-of-h2-over-stoichiometric-mgo-thin-film-supported-on-molybdenum-1509.09244</loc><lastmod>2016-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unusual-dissociative-adsorption-of-h2-over-stoichiometric-mgo-thin-film-supported-on-molybdenum-1509.09244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unusual-dissociative-adsorption-of-h2-over-stoichiometric-mgo-thin-film-supported-on-molybdenum-1509.09244"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-rate-constant-for-radiative-association-of-cf-1509.09309</loc><lastmod>2015-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-rate-constant-for-radiative-association-of-cf-1509.09309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-rate-constant-for-radiative-association-of-cf-1509.09309"/></url>
<url><loc>https://scifaro.com/en/abs/scan-based-hybrid-and-double-hybrid-density-functionals-from-models-without-fitted-parameters-1510.00381</loc><lastmod>2016-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scan-based-hybrid-and-double-hybrid-density-functionals-from-models-without-fitted-parameters-1510.00381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scan-based-hybrid-and-double-hybrid-density-functionals-from-models-without-fitted-parameters-1510.00381"/></url>
<url><loc>https://scifaro.com/en/abs/a-bayesian-approach-to-calibrating-high-throughput-virtual-screening-results-and-application-to-organic-photovoltaic-materials-1510.00388</loc><lastmod>2015-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-bayesian-approach-to-calibrating-high-throughput-virtual-screening-results-and-application-to-organic-photovoltaic-materials-1510.00388"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-bayesian-approach-to-calibrating-high-throughput-virtual-screening-results-and-application-to-organic-photovoltaic-materials-1510.00388"/></url>
<url><loc>https://scifaro.com/en/abs/computing-the-dielectric-constant-of-liquid-water-at-constant-dielectric-displacement-1510.00643</loc><lastmod>2016-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computing-the-dielectric-constant-of-liquid-water-at-constant-dielectric-displacement-1510.00643"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computing-the-dielectric-constant-of-liquid-water-at-constant-dielectric-displacement-1510.00643"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-with-very-large-multideterminant-wavefunctions-1510.00730</loc><lastmod>2017-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-with-very-large-multideterminant-wavefunctions-1510.00730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-with-very-large-multideterminant-wavefunctions-1510.00730"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-investigation-of-hydrogen-physical-adsorption-on-graphynes-layers-1510.01112</loc><lastmod>2015-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-investigation-of-hydrogen-physical-adsorption-on-graphynes-layers-1510.01112"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-investigation-of-hydrogen-physical-adsorption-on-graphynes-layers-1510.01112"/></url>
<url><loc>https://scifaro.com/en/abs/clustered-low-rank-tensor-format-introduction-and-application-to-fast-construction-of-hartree-fock-exchange-1510.01156</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/clustered-low-rank-tensor-format-introduction-and-application-to-fast-construction-of-hartree-fock-exchange-1510.01156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/clustered-low-rank-tensor-format-introduction-and-application-to-fast-construction-of-hartree-fock-exchange-1510.01156"/></url>
<url><loc>https://scifaro.com/en/abs/heterogeneous-ice-nucleation-controlled-by-the-coupling-of-surface-crystallinity-and-surface-hydrophilicity-1510.01371</loc><lastmod>2015-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heterogeneous-ice-nucleation-controlled-by-the-coupling-of-surface-crystallinity-and-surface-hydrophilicity-1510.01371"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heterogeneous-ice-nucleation-controlled-by-the-coupling-of-surface-crystallinity-and-surface-hydrophilicity-1510.01371"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-the-tca-functional-in-computational-chemistry-and-solid-state-physics-1510.01604</loc><lastmod>2015-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-the-tca-functional-in-computational-chemistry-and-solid-state-physics-1510.01604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-the-tca-functional-in-computational-chemistry-and-solid-state-physics-1510.01604"/></url>
<url><loc>https://scifaro.com/en/abs/a-perturbative-solution-to-metadynamics-ordinary-differential-equation-1510.01649</loc><lastmod>2016-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-perturbative-solution-to-metadynamics-ordinary-differential-equation-1510.01649"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-perturbative-solution-to-metadynamics-ordinary-differential-equation-1510.01649"/></url>
<url><loc>https://scifaro.com/en/abs/adiabatic-field-free-alignment-of-asymmetric-top-molecules-with-an-optical-centrifuge-1510.01827</loc><lastmod>2016-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adiabatic-field-free-alignment-of-asymmetric-top-molecules-with-an-optical-centrifuge-1510.01827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adiabatic-field-free-alignment-of-asymmetric-top-molecules-with-an-optical-centrifuge-1510.01827"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-kinetics-of-overall-phase-transition-in-terms-of-logistic-equation-1510.02250</loc><lastmod>2015-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-kinetics-of-overall-phase-transition-in-terms-of-logistic-equation-1510.02250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-kinetics-of-overall-phase-transition-in-terms-of-logistic-equation-1510.02250"/></url>
<url><loc>https://scifaro.com/en/abs/on-boiling-of-crude-oil-under-elevated-pressure-1510.02468</loc><lastmod>2017-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-boiling-of-crude-oil-under-elevated-pressure-1510.02468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-boiling-of-crude-oil-under-elevated-pressure-1510.02468"/></url>
<url><loc>https://scifaro.com/en/abs/a-general-potential-for-molecular-dynamics-of-ion-sputtered-surfaces-1510.02791</loc><lastmod>2015-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-general-potential-for-molecular-dynamics-of-ion-sputtered-surfaces-1510.02791"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-general-potential-for-molecular-dynamics-of-ion-sputtered-surfaces-1510.02791"/></url>
<url><loc>https://scifaro.com/en/abs/catching-conical-intersections-in-the-act-monitoring-transient-electronic-coherences-by-attosecond-stimulated-x-ray-raman-signals-1510.02997</loc><lastmod>2015-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catching-conical-intersections-in-the-act-monitoring-transient-electronic-coherences-by-attosecond-stimulated-x-ray-raman-signals-1510.02997"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catching-conical-intersections-in-the-act-monitoring-transient-electronic-coherences-by-attosecond-stimulated-x-ray-raman-signals-1510.02997"/></url>
<url><loc>https://scifaro.com/en/abs/resonance-inclined-optical-nuclear-spin-polarization-of-liquids-in-diamond-structures-1510.03256</loc><lastmod>2016-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resonance-inclined-optical-nuclear-spin-polarization-of-liquids-in-diamond-structures-1510.03256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resonance-inclined-optical-nuclear-spin-polarization-of-liquids-in-diamond-structures-1510.03256"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-multi-configurational-self-consistent-field-theory-1510.03635</loc><lastmod>2015-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-multi-configurational-self-consistent-field-theory-1510.03635"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-multi-configurational-self-consistent-field-theory-1510.03635"/></url>
<url><loc>https://scifaro.com/en/abs/the-particle-hole-map-a-computational-tool-to-visualize-electronic-excitations-1510.04250</loc><lastmod>2015-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-particle-hole-map-a-computational-tool-to-visualize-electronic-excitations-1510.04250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-particle-hole-map-a-computational-tool-to-visualize-electronic-excitations-1510.04250"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-the-oxygen-evolution-electrocatalysis-in-metal-organic-frameworks-1510.04851</loc><lastmod>2015-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-the-oxygen-evolution-electrocatalysis-in-metal-organic-frameworks-1510.04851"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-the-oxygen-evolution-electrocatalysis-in-metal-organic-frameworks-1510.04851"/></url>
<url><loc>https://scifaro.com/en/abs/fano-resonances-observed-in-helium-nanodroplets-1510.05473</loc><lastmod>2016-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fano-resonances-observed-in-helium-nanodroplets-1510.05473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fano-resonances-observed-in-helium-nanodroplets-1510.05473"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-multicomponent-coupled-cluster-method-for-investigation-of-multiexcitonic-interactions-1510.05762</loc><lastmod>2015-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-multicomponent-coupled-cluster-method-for-investigation-of-multiexcitonic-interactions-1510.05762"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-multicomponent-coupled-cluster-method-for-investigation-of-multiexcitonic-interactions-1510.05762"/></url>
<url><loc>https://scifaro.com/en/abs/actinide-chemistry-using-singlet-paired-coupled-cluster-and-its-combinations-with-density-functionals-1510.05988</loc><lastmod>2016-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/actinide-chemistry-using-singlet-paired-coupled-cluster-and-its-combinations-with-density-functionals-1510.05988"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/actinide-chemistry-using-singlet-paired-coupled-cluster-and-its-combinations-with-density-functionals-1510.05988"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-doubly-hybrid-density-functional-xdh-pbe0-from-a-parameter-free-global-hybrid-model-pbe0-j-chem-phys-136-174103-2012-1510.06019</loc><lastmod>2015-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-doubly-hybrid-density-functional-xdh-pbe0-from-a-parameter-free-global-hybrid-model-pbe0-j-chem-phys-136-174103-2012-1510.06019"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-doubly-hybrid-density-functional-xdh-pbe0-from-a-parameter-free-global-hybrid-model-pbe0-j-chem-phys-136-174103-2012-1510.06019"/></url>
<url><loc>https://scifaro.com/en/abs/microtesla-nmr-j-coupling-spectroscopy-with-an-unshielded-atomic-magnetometer-1510.06250</loc><lastmod>2016-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microtesla-nmr-j-coupling-spectroscopy-with-an-unshielded-atomic-magnetometer-1510.06250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microtesla-nmr-j-coupling-spectroscopy-with-an-unshielded-atomic-magnetometer-1510.06250"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-structural-correlations-in-a-model-binary-3d-liquid-through-the-eigenvalues-and-eigenvectors-of-the-atomic-stress-tensors-1510.06252</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-structural-correlations-in-a-model-binary-3d-liquid-through-the-eigenvalues-and-eigenvectors-of-the-atomic-stress-tensors-1510.06252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-structural-correlations-in-a-model-binary-3d-liquid-through-the-eigenvalues-and-eigenvectors-of-the-atomic-stress-tensors-1510.06252"/></url>
<url><loc>https://scifaro.com/en/abs/a-toy-quantum-analog-of-enzymes-1510.06294</loc><lastmod>2018-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-toy-quantum-analog-of-enzymes-1510.06294"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-toy-quantum-analog-of-enzymes-1510.06294"/></url>
<url><loc>https://scifaro.com/en/abs/recent-developments-in-methods-for-identifying-reaction-coordinates-1510.07198</loc><lastmod>2015-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recent-developments-in-methods-for-identifying-reaction-coordinates-1510.07198"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recent-developments-in-methods-for-identifying-reaction-coordinates-1510.07198"/></url>
<url><loc>https://scifaro.com/en/abs/revisiting-the-z-dependence-of-the-electron-density-at-the-nuclei-1510.07299</loc><lastmod>2015-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revisiting-the-z-dependence-of-the-electron-density-at-the-nuclei-1510.07299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revisiting-the-z-dependence-of-the-electron-density-at-the-nuclei-1510.07299"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-quantum-mechanics-and-chemical-compound-space-1510.07512</loc><lastmod>2016-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-quantum-mechanics-and-chemical-compound-space-1510.07512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-quantum-mechanics-and-chemical-compound-space-1510.07512"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-atomic-quantum-defects-from-particle-particle-random-phase-approximation-1510.07579</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-atomic-quantum-defects-from-particle-particle-random-phase-approximation-1510.07579"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-atomic-quantum-defects-from-particle-particle-random-phase-approximation-1510.07579"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-ground-states-of-fe-2-and-co-2-as-determined-by-x-ray-absorption-and-x-ray-magnetic-circular-dichroism-spectroscopy-1510.07624</loc><lastmod>2016-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-ground-states-of-fe-2-and-co-2-as-determined-by-x-ray-absorption-and-x-ray-magnetic-circular-dichroism-spectroscopy-1510.07624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-ground-states-of-fe-2-and-co-2-as-determined-by-x-ray-absorption-and-x-ray-magnetic-circular-dichroism-spectroscopy-1510.07624"/></url>
<url><loc>https://scifaro.com/en/abs/bonding-description-of-the-harpoon-mechanism-1510.07687</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bonding-description-of-the-harpoon-mechanism-1510.07687"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bonding-description-of-the-harpoon-mechanism-1510.07687"/></url>
<url><loc>https://scifaro.com/en/abs/three-electron-coalescence-points-in-two-and-three-dimensions-1510.08221</loc><lastmod>2016-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/three-electron-coalescence-points-in-two-and-three-dimensions-1510.08221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/three-electron-coalescence-points-in-two-and-three-dimensions-1510.08221"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-optimally-tuned-ranged-separated-hybrid-density-functional-theory-1510.08519</loc><lastmod>2016-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-optimally-tuned-ranged-separated-hybrid-density-functional-theory-1510.08519"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-optimally-tuned-ranged-separated-hybrid-density-functional-theory-1510.08519"/></url>
<url><loc>https://scifaro.com/en/abs/adiabatic-potential-energy-curves-of-long-range-rydberg-molecules-two-electron-r-matrix-approach-1510.08773</loc><lastmod>2016-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adiabatic-potential-energy-curves-of-long-range-rydberg-molecules-two-electron-r-matrix-approach-1510.08773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adiabatic-potential-energy-curves-of-long-range-rydberg-molecules-two-electron-r-matrix-approach-1510.08773"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-diffusion-influenced-reactions-in-complex-geometries-1511.00039</loc><lastmod>2016-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-diffusion-influenced-reactions-in-complex-geometries-1511.00039"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-diffusion-influenced-reactions-in-complex-geometries-1511.00039"/></url>
<url><loc>https://scifaro.com/en/abs/formation-of-porous-gas-hydrates-1511.00248</loc><lastmod>2015-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-of-porous-gas-hydrates-1511.00248"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-of-porous-gas-hydrates-1511.00248"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-stimulated-electronic-x-ray-raman-spectroscopy-1511.00481</loc><lastmod>2015-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-stimulated-electronic-x-ray-raman-spectroscopy-1511.00481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-stimulated-electronic-x-ray-raman-spectroscopy-1511.00481"/></url>
<url><loc>https://scifaro.com/en/abs/mu-tempered-metadynamics-artifact-independent-convergence-times-for-wide-hills-1511.00558</loc><lastmod>2016-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mu-tempered-metadynamics-artifact-independent-convergence-times-for-wide-hills-1511.00558"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mu-tempered-metadynamics-artifact-independent-convergence-times-for-wide-hills-1511.00558"/></url>
<url><loc>https://scifaro.com/en/abs/relation-between-pore-size-and-the-compressibility-of-a-confined-fluid-1511.00918</loc><lastmod>2015-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relation-between-pore-size-and-the-compressibility-of-a-confined-fluid-1511.00918"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relation-between-pore-size-and-the-compressibility-of-a-confined-fluid-1511.00918"/></url>
<url><loc>https://scifaro.com/en/abs/towards-ab-initio-self-energy-embedding-theory-in-quantum-chemistry-1511.00986</loc><lastmod>2016-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-ab-initio-self-energy-embedding-theory-in-quantum-chemistry-1511.00986"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-ab-initio-self-energy-embedding-theory-in-quantum-chemistry-1511.00986"/></url>
<url><loc>https://scifaro.com/en/abs/can-quantum-transition-state-theory-be-defined-as-an-exact-t-0-limit-1511.01072</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-quantum-transition-state-theory-be-defined-as-an-exact-t-0-limit-1511.01072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-quantum-transition-state-theory-be-defined-as-an-exact-t-0-limit-1511.01072"/></url>
<url><loc>https://scifaro.com/en/abs/watching-coherent-molecular-structural-dynamics-during-photoreaction-beyond-kinetic-description-1511.01294</loc><lastmod>2015-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/watching-coherent-molecular-structural-dynamics-during-photoreaction-beyond-kinetic-description-1511.01294"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/watching-coherent-molecular-structural-dynamics-during-photoreaction-beyond-kinetic-description-1511.01294"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-the-lfas-pbe-exchange-correlation-potential-for-high-order-harmonic-generation-of-aligned-h2-molecules-1511.01430</loc><lastmod>2016-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-the-lfas-pbe-exchange-correlation-potential-for-high-order-harmonic-generation-of-aligned-h2-molecules-1511.01430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-the-lfas-pbe-exchange-correlation-potential-for-high-order-harmonic-generation-of-aligned-h2-molecules-1511.01430"/></url>
<url><loc>https://scifaro.com/en/abs/proposal-for-probing-energy-transfer-pathway-by-single-molecule-pump-dump-experiment-1511.01461</loc><lastmod>2016-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proposal-for-probing-energy-transfer-pathway-by-single-molecule-pump-dump-experiment-1511.01461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proposal-for-probing-energy-transfer-pathway-by-single-molecule-pump-dump-experiment-1511.01461"/></url>
<url><loc>https://scifaro.com/en/abs/md-and-epr-studies-of-the-structure-and-dynamics-of-the-mtsl-spin-labelled-activation-loop-of-the-aurora-a-kinase-1511.01667</loc><lastmod>2016-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/md-and-epr-studies-of-the-structure-and-dynamics-of-the-mtsl-spin-labelled-activation-loop-of-the-aurora-a-kinase-1511.01667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/md-and-epr-studies-of-the-structure-and-dynamics-of-the-mtsl-spin-labelled-activation-loop-of-the-aurora-a-kinase-1511.01667"/></url>
<url><loc>https://scifaro.com/en/abs/a-generalized-electrowetting-equation-its-derivation-and-consequences-1511.01704</loc><lastmod>2015-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-generalized-electrowetting-equation-its-derivation-and-consequences-1511.01704"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-generalized-electrowetting-equation-its-derivation-and-consequences-1511.01704"/></url>
<url><loc>https://scifaro.com/en/abs/exact-conditions-on-the-temperature-dependence-of-density-functionals-1511.02194</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-conditions-on-the-temperature-dependence-of-density-functionals-1511.02194"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-conditions-on-the-temperature-dependence-of-density-functionals-1511.02194"/></url>
<url><loc>https://scifaro.com/en/abs/the-variationally-fitted-electron-electron-potential-1511.02253</loc><lastmod>2015-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-variationally-fitted-electron-electron-potential-1511.02253"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-variationally-fitted-electron-electron-potential-1511.02253"/></url>
<url><loc>https://scifaro.com/en/abs/kerr-effect-at-high-electric-field-in-isotropic-phase-of-mesogenic-materials-1511.02292</loc><lastmod>2015-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kerr-effect-at-high-electric-field-in-isotropic-phase-of-mesogenic-materials-1511.02292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kerr-effect-at-high-electric-field-in-isotropic-phase-of-mesogenic-materials-1511.02292"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-studies-of-the-mechanism-of-reversible-photodegradation-of-1-substituted-aminoanthraquinone-doped-polymers-1511.02947</loc><lastmod>2016-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-studies-of-the-mechanism-of-reversible-photodegradation-of-1-substituted-aminoanthraquinone-doped-polymers-1511.02947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-studies-of-the-mechanism-of-reversible-photodegradation-of-1-substituted-aminoanthraquinone-doped-polymers-1511.02947"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-guiding-principle-for-the-temperature-dependence-of-the-solubility-of-light-gases-in-imidazolium-based-ionic-liquids-derived-from-molecular-simulations-1511.03169</loc><lastmod>2015-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-guiding-principle-for-the-temperature-dependence-of-the-solubility-of-light-gases-in-imidazolium-based-ionic-liquids-derived-from-molecular-simulations-1511.03169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-guiding-principle-for-the-temperature-dependence-of-the-solubility-of-light-gases-in-imidazolium-based-ionic-liquids-derived-from-molecular-simulations-1511.03169"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-magnetic-ni-clusters-on-graphene-scaffold-after-high-vacuum-annealing-1511.03349</loc><lastmod>2015-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-magnetic-ni-clusters-on-graphene-scaffold-after-high-vacuum-annealing-1511.03349"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-magnetic-ni-clusters-on-graphene-scaffold-after-high-vacuum-annealing-1511.03349"/></url>
<url><loc>https://scifaro.com/en/abs/second-order-green-s-function-perturbation-theory-for-periodic-systems-1511.03911</loc><lastmod>2016-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/second-order-green-s-function-perturbation-theory-for-periodic-systems-1511.03911"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/second-order-green-s-function-perturbation-theory-for-periodic-systems-1511.03911"/></url>
<url><loc>https://scifaro.com/en/abs/maximum-probability-domains-for-hubbard-models-1511.03931</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/maximum-probability-domains-for-hubbard-models-1511.03931"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/maximum-probability-domains-for-hubbard-models-1511.03931"/></url>
<url><loc>https://scifaro.com/en/abs/thin-flexible-lithium-ion-battery-featuring-graphite-paper-based-current-collectors-with-enhanced-conductivity-1511.03949</loc><lastmod>2015-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thin-flexible-lithium-ion-battery-featuring-graphite-paper-based-current-collectors-with-enhanced-conductivity-1511.03949"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thin-flexible-lithium-ion-battery-featuring-graphite-paper-based-current-collectors-with-enhanced-conductivity-1511.03949"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-dynamics-of-a-diatomic-molecular-ion-in-a-paul-trap-1511.04114</loc><lastmod>2015-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-dynamics-of-a-diatomic-molecular-ion-in-a-paul-trap-1511.04114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-dynamics-of-a-diatomic-molecular-ion-in-a-paul-trap-1511.04114"/></url>
<url><loc>https://scifaro.com/en/abs/microhydration-effect-on-structural-energetic-and-light-scattering-properties-of-first-branched-interstellar-molecule-i-prcn-1511.04272</loc><lastmod>2015-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microhydration-effect-on-structural-energetic-and-light-scattering-properties-of-first-branched-interstellar-molecule-i-prcn-1511.04272"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microhydration-effect-on-structural-energetic-and-light-scattering-properties-of-first-branched-interstellar-molecule-i-prcn-1511.04272"/></url>
<url><loc>https://scifaro.com/en/abs/energy-transfer-in-structured-and-unstructured-environments-master-equations-beyond-the-born-markov-approximations-1511.05181</loc><lastmod>2016-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-transfer-in-structured-and-unstructured-environments-master-equations-beyond-the-born-markov-approximations-1511.05181"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-transfer-in-structured-and-unstructured-environments-master-equations-beyond-the-born-markov-approximations-1511.05181"/></url>
<url><loc>https://scifaro.com/en/abs/a-corpuscular-picture-of-electrons-in-chemical-bond-1511.05331</loc><lastmod>2016-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-corpuscular-picture-of-electrons-in-chemical-bond-1511.05331"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-corpuscular-picture-of-electrons-in-chemical-bond-1511.05331"/></url>
<url><loc>https://scifaro.com/en/abs/spin-orbit-concept-of-open-shell-systems-1511.05480</loc><lastmod>2015-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-orbit-concept-of-open-shell-systems-1511.05480"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-orbit-concept-of-open-shell-systems-1511.05480"/></url>
<url><loc>https://scifaro.com/en/abs/local-random-phase-approximation-with-projected-oscillator-orbitals-1511.05725</loc><lastmod>2015-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-random-phase-approximation-with-projected-oscillator-orbitals-1511.05725"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-random-phase-approximation-with-projected-oscillator-orbitals-1511.05725"/></url>
<url><loc>https://scifaro.com/en/abs/threshold-energies-for-single-carbon-knockout-from-polycyclic-aromatic-hydrocarbons-1511.05742</loc><lastmod>2015-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/threshold-energies-for-single-carbon-knockout-from-polycyclic-aromatic-hydrocarbons-1511.05742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/threshold-energies-for-single-carbon-knockout-from-polycyclic-aromatic-hydrocarbons-1511.05742"/></url>
<url><loc>https://scifaro.com/en/abs/developments-in-stochastic-coupled-cluster-theory-the-initiator-approximation-and-application-to-the-uniform-electron-gas-1511.05752</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/developments-in-stochastic-coupled-cluster-theory-the-initiator-approximation-and-application-to-the-uniform-electron-gas-1511.05752"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/developments-in-stochastic-coupled-cluster-theory-the-initiator-approximation-and-application-to-the-uniform-electron-gas-1511.05752"/></url>
<url><loc>https://scifaro.com/en/abs/a-direct-basis-approach-to-nonorthogonality-in-second-quantization-theory-and-application-1511.06467</loc><lastmod>2015-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-direct-basis-approach-to-nonorthogonality-in-second-quantization-theory-and-application-1511.06467"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-direct-basis-approach-to-nonorthogonality-in-second-quantization-theory-and-application-1511.06467"/></url>
<url><loc>https://scifaro.com/en/abs/robust-validation-of-approximate-1-matrix-functionals-with-few-electron-harmonium-atoms-1511.06564</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-validation-of-approximate-1-matrix-functionals-with-few-electron-harmonium-atoms-1511.06564"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-validation-of-approximate-1-matrix-functionals-with-few-electron-harmonium-atoms-1511.06564"/></url>
<url><loc>https://scifaro.com/en/abs/simultaneous-acquisition-of-multi-nuclei-enhanced-nmr-mri-by-solution-state-dynamic-nuclear-polarization-1511.07126</loc><lastmod>2016-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simultaneous-acquisition-of-multi-nuclei-enhanced-nmr-mri-by-solution-state-dynamic-nuclear-polarization-1511.07126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simultaneous-acquisition-of-multi-nuclei-enhanced-nmr-mri-by-solution-state-dynamic-nuclear-polarization-1511.07126"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-rotationally-inelastic-collisions-using-a-direct-simulation-monte-carlo-method-1511.07626</loc><lastmod>2015-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-rotationally-inelastic-collisions-using-a-direct-simulation-monte-carlo-method-1511.07626"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-rotationally-inelastic-collisions-using-a-direct-simulation-monte-carlo-method-1511.07626"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-exciton-dynamics-1511.07883</loc><lastmod>2016-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-exciton-dynamics-1511.07883"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-exciton-dynamics-1511.07883"/></url>
<url><loc>https://scifaro.com/en/abs/linked-coupled-cluster-monte-carlo-1511.08129</loc><lastmod>2016-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linked-coupled-cluster-monte-carlo-1511.08129"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linked-coupled-cluster-monte-carlo-1511.08129"/></url>
<url><loc>https://scifaro.com/en/abs/design-and-synthesis-of-aromatic-molecules-for-probing-electric-fields-at-the-nanoscale-1511.08597</loc><lastmod>2016-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/design-and-synthesis-of-aromatic-molecules-for-probing-electric-fields-at-the-nanoscale-1511.08597"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/design-and-synthesis-of-aromatic-molecules-for-probing-electric-fields-at-the-nanoscale-1511.08597"/></url>
<url><loc>https://scifaro.com/en/abs/path-integral-simulation-of-ice-vii-pressure-and-temperature-effects-1511.08607</loc><lastmod>2015-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/path-integral-simulation-of-ice-vii-pressure-and-temperature-effects-1511.08607"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/path-integral-simulation-of-ice-vii-pressure-and-temperature-effects-1511.08607"/></url>
<url><loc>https://scifaro.com/en/abs/revision-of-the-classical-nucleation-theory-for-supersaturated-solutions-1511.08765</loc><lastmod>2016-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revision-of-the-classical-nucleation-theory-for-supersaturated-solutions-1511.08765"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revision-of-the-classical-nucleation-theory-for-supersaturated-solutions-1511.08765"/></url>
<url><loc>https://scifaro.com/en/abs/phase-space-barriers-and-dividing-surfaces-in-the-absence-of-critical-points-of-the-potential-energy-application-to-roaming-in-ozone-1511.08919</loc><lastmod>2016-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-space-barriers-and-dividing-surfaces-in-the-absence-of-critical-points-of-the-potential-energy-application-to-roaming-in-ozone-1511.08919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-space-barriers-and-dividing-surfaces-in-the-absence-of-critical-points-of-the-potential-energy-application-to-roaming-in-ozone-1511.08919"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-hubbard-model-for-the-excited-states-of-pi-conjugated-acene-molecules-1511.09396</loc><lastmod>2016-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-hubbard-model-for-the-excited-states-of-pi-conjugated-acene-molecules-1511.09396"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-hubbard-model-for-the-excited-states-of-pi-conjugated-acene-molecules-1511.09396"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-molecular-dynamics-with-nuclear-quantum-effects-at-classical-cost-ring-polymer-contraction-for-density-functional-theory-1512.00473</loc><lastmod>2016-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-with-nuclear-quantum-effects-at-classical-cost-ring-polymer-contraction-for-density-functional-theory-1512.00473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-with-nuclear-quantum-effects-at-classical-cost-ring-polymer-contraction-for-density-functional-theory-1512.00473"/></url>
<url><loc>https://scifaro.com/en/abs/high-througput-pka-prediction-using-semi-empirical-methods-1512.00701</loc><lastmod>2015-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-througput-pka-prediction-using-semi-empirical-methods-1512.00701"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-througput-pka-prediction-using-semi-empirical-methods-1512.00701"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-phase-separation-and-polarization-for-dissociated-ionic-liquids-1512.00882</loc><lastmod>2016-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-phase-separation-and-polarization-for-dissociated-ionic-liquids-1512.00882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-phase-separation-and-polarization-for-dissociated-ionic-liquids-1512.00882"/></url>
<url><loc>https://scifaro.com/en/abs/reply-to-comment-on-quantum-confinement-in-hydrogen-bond-1512.01097</loc><lastmod>2015-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reply-to-comment-on-quantum-confinement-in-hydrogen-bond-1512.01097"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reply-to-comment-on-quantum-confinement-in-hydrogen-bond-1512.01097"/></url>
<url><loc>https://scifaro.com/en/abs/water-in-asbestos-1512.01114</loc><lastmod>2015-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-in-asbestos-1512.01114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-in-asbestos-1512.01114"/></url>
<url><loc>https://scifaro.com/en/abs/an-accurate-fast-mathematically-robust-universal-non-iterative-algorithm-for-computing-multi-component-diffusion-velocities-1512.01338</loc><lastmod>2016-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-accurate-fast-mathematically-robust-universal-non-iterative-algorithm-for-computing-multi-component-diffusion-velocities-1512.01338"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-accurate-fast-mathematically-robust-universal-non-iterative-algorithm-for-computing-multi-component-diffusion-velocities-1512.01338"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-4-vinylbenzylation-on-the-rheological-and-swelling-properties-of-photo-activated-collagen-hydrogels-1512.01723</loc><lastmod>2015-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-4-vinylbenzylation-on-the-rheological-and-swelling-properties-of-photo-activated-collagen-hydrogels-1512.01723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-4-vinylbenzylation-on-the-rheological-and-swelling-properties-of-photo-activated-collagen-hydrogels-1512.01723"/></url>
<url><loc>https://scifaro.com/en/abs/interfacial-charge-rearrangement-and-intermolecular-interactions-density-functional-theory-study-of-free-base-porphine-adsorbed-on-ag-111-and-cu-111-1512.01987</loc><lastmod>2016-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interfacial-charge-rearrangement-and-intermolecular-interactions-density-functional-theory-study-of-free-base-porphine-adsorbed-on-ag-111-and-cu-111-1512.01987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interfacial-charge-rearrangement-and-intermolecular-interactions-density-functional-theory-study-of-free-base-porphine-adsorbed-on-ag-111-and-cu-111-1512.01987"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-wave-function-convergence-in-interactive-quantum-chemical-reactivity-studies-1512.02111</loc><lastmod>2016-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-wave-function-convergence-in-interactive-quantum-chemical-reactivity-studies-1512.02111"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-wave-function-convergence-in-interactive-quantum-chemical-reactivity-studies-1512.02111"/></url>
<url><loc>https://scifaro.com/en/abs/multiphasic-ph-profiles-for-the-reaction-of-tris-hydroxymethyl-aminomethane-with-phenyl-esters-1512.02561</loc><lastmod>2015-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiphasic-ph-profiles-for-the-reaction-of-tris-hydroxymethyl-aminomethane-with-phenyl-esters-1512.02561"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiphasic-ph-profiles-for-the-reaction-of-tris-hydroxymethyl-aminomethane-with-phenyl-esters-1512.02561"/></url>
<url><loc>https://scifaro.com/en/abs/pair-correlated-product-speed-and-angular-distributions-for-the-oh-ch4-cd4-reactions-further-remarks-on-their-classical-trajectory-calculations-in-a-quantum-spirit-1512.02822</loc><lastmod>2015-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pair-correlated-product-speed-and-angular-distributions-for-the-oh-ch4-cd4-reactions-further-remarks-on-their-classical-trajectory-calculations-in-a-quantum-spirit-1512.02822"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pair-correlated-product-speed-and-angular-distributions-for-the-oh-ch4-cd4-reactions-further-remarks-on-their-classical-trajectory-calculations-in-a-quantum-spirit-1512.02822"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-the-accuracy-of-coupled-cluster-perturbation-theory-for-open-shell-systems-i-triples-expansions-1512.02846</loc><lastmod>2016-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-the-accuracy-of-coupled-cluster-perturbation-theory-for-open-shell-systems-i-triples-expansions-1512.02846"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-the-accuracy-of-coupled-cluster-perturbation-theory-for-open-shell-systems-i-triples-expansions-1512.02846"/></url>
<url><loc>https://scifaro.com/en/abs/photoelectron-spectra-of-2-thiouracil-4-thiouracil-and-2-4-dithiouracil-1512.02905</loc><lastmod>2021-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoelectron-spectra-of-2-thiouracil-4-thiouracil-and-2-4-dithiouracil-1512.02905"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoelectron-spectra-of-2-thiouracil-4-thiouracil-and-2-4-dithiouracil-1512.02905"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-terahertz-coherent-excitation-of-vibrational-modes-of-liquids-1512.03106</loc><lastmod>2015-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-terahertz-coherent-excitation-of-vibrational-modes-of-liquids-1512.03106"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-terahertz-coherent-excitation-of-vibrational-modes-of-liquids-1512.03106"/></url>
<url><loc>https://scifaro.com/en/abs/configuration-interaction-combined-with-spin-projection-for-strongly-correlated-molecular-electronic-structures-1512.03505</loc><lastmod>2016-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/configuration-interaction-combined-with-spin-projection-for-strongly-correlated-molecular-electronic-structures-1512.03505"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/configuration-interaction-combined-with-spin-projection-for-strongly-correlated-molecular-electronic-structures-1512.03505"/></url>
<url><loc>https://scifaro.com/en/abs/area-confined-position-control-of-molecular-aggregates-1512.03633</loc><lastmod>2016-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/area-confined-position-control-of-molecular-aggregates-1512.03633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/area-confined-position-control-of-molecular-aggregates-1512.03633"/></url>
<url><loc>https://scifaro.com/en/abs/established-dft-methods-calculation-of-conjugation-disturbed-in-the-presence-of-torsional-hyperconjugation-1512.04171</loc><lastmod>2016-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/established-dft-methods-calculation-of-conjugation-disturbed-in-the-presence-of-torsional-hyperconjugation-1512.04171"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/established-dft-methods-calculation-of-conjugation-disturbed-in-the-presence-of-torsional-hyperconjugation-1512.04171"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-electrolyte-transport-through-charged-nanopores-1512.04261</loc><lastmod>2019-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-electrolyte-transport-through-charged-nanopores-1512.04261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-electrolyte-transport-through-charged-nanopores-1512.04261"/></url>
<url><loc>https://scifaro.com/en/abs/derivation-of-instanton-rate-theory-from-first-principles-1512.04292</loc><lastmod>2016-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/derivation-of-instanton-rate-theory-from-first-principles-1512.04292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/derivation-of-instanton-rate-theory-from-first-principles-1512.04292"/></url>
<url><loc>https://scifaro.com/en/abs/dual-partitioning-for-effective-hamiltonians-to-avoid-intruders-1512.05045</loc><lastmod>2015-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dual-partitioning-for-effective-hamiltonians-to-avoid-intruders-1512.05045"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dual-partitioning-for-effective-hamiltonians-to-avoid-intruders-1512.05045"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-aromaticity-index-for-large-rings-1512.05106</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-aromaticity-index-for-large-rings-1512.05106"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-aromaticity-index-for-large-rings-1512.05106"/></url>
<url><loc>https://scifaro.com/en/abs/hilbert-space-renormalization-for-the-many-electron-problem-1512.05218</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hilbert-space-renormalization-for-the-many-electron-problem-1512.05218"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hilbert-space-renormalization-for-the-many-electron-problem-1512.05218"/></url>
<url><loc>https://scifaro.com/en/abs/are-there-helium-like-protonic-states-of-individual-water-molecules-in-liquid-h2o-1512.05342</loc><lastmod>2015-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/are-there-helium-like-protonic-states-of-individual-water-molecules-in-liquid-h2o-1512.05342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/are-there-helium-like-protonic-states-of-individual-water-molecules-in-liquid-h2o-1512.05342"/></url>
<url><loc>https://scifaro.com/en/abs/variation-of-protein-backbone-amide-resonance-by-electrostatic-field-1512.05488</loc><lastmod>2016-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variation-of-protein-backbone-amide-resonance-by-electrostatic-field-1512.05488"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variation-of-protein-backbone-amide-resonance-by-electrostatic-field-1512.05488"/></url>
<url><loc>https://scifaro.com/en/abs/rhythmomimetic-drug-delivery-modeling-analysis-and-numerical-simulation-1512.05758</loc><lastmod>2016-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rhythmomimetic-drug-delivery-modeling-analysis-and-numerical-simulation-1512.05758"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rhythmomimetic-drug-delivery-modeling-analysis-and-numerical-simulation-1512.05758"/></url>
<url><loc>https://scifaro.com/en/abs/the-driven-liouville-von-neumann-equation-in-lindblad-form-1512.05862</loc><lastmod>2016-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-driven-liouville-von-neumann-equation-in-lindblad-form-1512.05862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-driven-liouville-von-neumann-equation-in-lindblad-form-1512.05862"/></url>
<url><loc>https://scifaro.com/en/abs/boundary-induced-nucleation-control-a-theoretical-perspective-1512.06063</loc><lastmod>2018-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/boundary-induced-nucleation-control-a-theoretical-perspective-1512.06063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/boundary-induced-nucleation-control-a-theoretical-perspective-1512.06063"/></url>
<url><loc>https://scifaro.com/en/abs/generalization-of-the-kohn-sham-system-that-can-represent-arbitary-one-electron-density-matrices-1512.06120</loc><lastmod>2016-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalization-of-the-kohn-sham-system-that-can-represent-arbitary-one-electron-density-matrices-1512.06120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalization-of-the-kohn-sham-system-that-can-represent-arbitary-one-electron-density-matrices-1512.06120"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-atom-atom-potentials-using-camcasp-many-body-potentials-for-the-pyridine-dimer-1512.06155</loc><lastmod>2016-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-atom-atom-potentials-using-camcasp-many-body-potentials-for-the-pyridine-dimer-1512.06155"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-atom-atom-potentials-using-camcasp-many-body-potentials-for-the-pyridine-dimer-1512.06155"/></url>
<url><loc>https://scifaro.com/en/abs/tables-of-einstein-coefficients-and-lifetimes-of-upper-rovibronic-levels-for-q-branch-lines-of-the-the-d-3-pi-u-a-3-sigma-g-bands-for-the-h-2-hd-d-2-and-t-2-molecules-1512.06306</loc><lastmod>2015-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tables-of-einstein-coefficients-and-lifetimes-of-upper-rovibronic-levels-for-q-branch-lines-of-the-the-d-3-pi-u-a-3-sigma-g-bands-for-the-h-2-hd-d-2-and-t-2-molecules-1512.06306"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tables-of-einstein-coefficients-and-lifetimes-of-upper-rovibronic-levels-for-q-branch-lines-of-the-the-d-3-pi-u-a-3-sigma-g-bands-for-the-h-2-hd-d-2-and-t-2-molecules-1512.06306"/></url>
<url><loc>https://scifaro.com/en/abs/a-view-on-coupled-cluster-perturbation-theory-using-a-bivariational-lagrangian-formulation-1512.06552</loc><lastmod>2016-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-view-on-coupled-cluster-perturbation-theory-using-a-bivariational-lagrangian-formulation-1512.06552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-view-on-coupled-cluster-perturbation-theory-using-a-bivariational-lagrangian-formulation-1512.06552"/></url>
<url><loc>https://scifaro.com/en/abs/the-effect-of-rough-surfaces-on-nuclear-magnetic-resonance-relaxation-experiments-1512.06711</loc><lastmod>2015-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effect-of-rough-surfaces-on-nuclear-magnetic-resonance-relaxation-experiments-1512.06711"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effect-of-rough-surfaces-on-nuclear-magnetic-resonance-relaxation-experiments-1512.06711"/></url>
<url><loc>https://scifaro.com/en/abs/fragmentation-of-long-lived-hydrocarbons-after-strong-field-ionization-1512.07410</loc><lastmod>2016-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fragmentation-of-long-lived-hydrocarbons-after-strong-field-ionization-1512.07410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fragmentation-of-long-lived-hydrocarbons-after-strong-field-ionization-1512.07410"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-effects-on-x-ray-structure-factors-1512.07440</loc><lastmod>2016-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-effects-on-x-ray-structure-factors-1512.07440"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-effects-on-x-ray-structure-factors-1512.07440"/></url>
<url><loc>https://scifaro.com/en/abs/exact-maps-in-density-functional-theory-for-lattice-models-1512.07456</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-maps-in-density-functional-theory-for-lattice-models-1512.07456"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-maps-in-density-functional-theory-for-lattice-models-1512.07456"/></url>
<url><loc>https://scifaro.com/en/abs/on-calculations-of-dipole-moments-of-hcl-and-dcl-molecular-ions-1512.07582</loc><lastmod>2015-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-calculations-of-dipole-moments-of-hcl-and-dcl-molecular-ions-1512.07582"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-calculations-of-dipole-moments-of-hcl-and-dcl-molecular-ions-1512.07582"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-1d-parahydrogen-in-nanopores-1512.07905</loc><lastmod>2016-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-1d-parahydrogen-in-nanopores-1512.07905"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-1d-parahydrogen-in-nanopores-1512.07905"/></url>
<url><loc>https://scifaro.com/en/abs/electrically-tuned-super-capacitors-1512.08000</loc><lastmod>2018-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrically-tuned-super-capacitors-1512.08000"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrically-tuned-super-capacitors-1512.08000"/></url>
<url><loc>https://scifaro.com/en/abs/n-electron-valence-state-perturbation-theory-based-on-a-density-matrix-renormalization-group-reference-function-with-applications-to-the-chromium-dimer-and-poly-p-phenylene-vinylene-oligomer-1512.08137</loc><lastmod>2016-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/n-electron-valence-state-perturbation-theory-based-on-a-density-matrix-renormalization-group-reference-function-with-applications-to-the-chromium-dimer-and-poly-p-phenylene-vinylene-oligomer-1512.08137"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/n-electron-valence-state-perturbation-theory-based-on-a-density-matrix-renormalization-group-reference-function-with-applications-to-the-chromium-dimer-and-poly-p-phenylene-vinylene-oligomer-1512.08137"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-ring-polymer-contraction-method-including-nuclear-quantum-effects-at-no-additional-computational-cost-in-comparison-to-ab-initio-molecular-dynamics-1512.08206</loc><lastmod>2016-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-ring-polymer-contraction-method-including-nuclear-quantum-effects-at-no-additional-computational-cost-in-comparison-to-ab-initio-molecular-dynamics-1512.08206"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-ring-polymer-contraction-method-including-nuclear-quantum-effects-at-no-additional-computational-cost-in-comparison-to-ab-initio-molecular-dynamics-1512.08206"/></url>
<url><loc>https://scifaro.com/en/abs/ddec6-a-method-for-computing-even-tempered-net-atomic-charges-in-periodic-and-nonperiodic-materials-1512.08270</loc><lastmod>2015-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ddec6-a-method-for-computing-even-tempered-net-atomic-charges-in-periodic-and-nonperiodic-materials-1512.08270"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ddec6-a-method-for-computing-even-tempered-net-atomic-charges-in-periodic-and-nonperiodic-materials-1512.08270"/></url>
<url><loc>https://scifaro.com/en/abs/features-in-energy-accumulation-in-double-layer-on-the-surface-of-graphene-material-1512.08288</loc><lastmod>2015-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/features-in-energy-accumulation-in-double-layer-on-the-surface-of-graphene-material-1512.08288"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/features-in-energy-accumulation-in-double-layer-on-the-surface-of-graphene-material-1512.08288"/></url>
<url><loc>https://scifaro.com/en/abs/advanced-switching-schemes-in-a-stark-decelerator-1512.08361</loc><lastmod>2016-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/advanced-switching-schemes-in-a-stark-decelerator-1512.08361"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/advanced-switching-schemes-in-a-stark-decelerator-1512.08361"/></url>
<url><loc>https://scifaro.com/en/abs/insight-into-the-li-2-co-3-k-2-co-3-eutectic-mixture-from-classical-molecular-dynamics-thermodynamics-structure-and-dynamics-1512.08369</loc><lastmod>2016-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/insight-into-the-li-2-co-3-k-2-co-3-eutectic-mixture-from-classical-molecular-dynamics-thermodynamics-structure-and-dynamics-1512.08369"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/insight-into-the-li-2-co-3-k-2-co-3-eutectic-mixture-from-classical-molecular-dynamics-thermodynamics-structure-and-dynamics-1512.08369"/></url>
<url><loc>https://scifaro.com/en/abs/universal-steps-in-quantum-dynamics-with-time-dependent-potential-energy-surfaces-beyond-the-born-oppenheimer-picture-1512.08531</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-steps-in-quantum-dynamics-with-time-dependent-potential-energy-surfaces-beyond-the-born-oppenheimer-picture-1512.08531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-steps-in-quantum-dynamics-with-time-dependent-potential-energy-surfaces-beyond-the-born-oppenheimer-picture-1512.08531"/></url>
<url><loc>https://scifaro.com/en/abs/the-pubchemqc-project-a-large-chemical-database-from-the-first-principle-calculations-1512.08572</loc><lastmod>2015-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-pubchemqc-project-a-large-chemical-database-from-the-first-principle-calculations-1512.08572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-pubchemqc-project-a-large-chemical-database-from-the-first-principle-calculations-1512.08572"/></url>
<url><loc>https://scifaro.com/en/abs/nanotubes-motion-on-layered-materials-a-registry-perspective-1512.08612</loc><lastmod>2016-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanotubes-motion-on-layered-materials-a-registry-perspective-1512.08612"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanotubes-motion-on-layered-materials-a-registry-perspective-1512.08612"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-solver-for-large-structured-eigenvalue-problems-in-relativistic-quantum-chemistry-1512.08934</loc><lastmod>2017-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-solver-for-large-structured-eigenvalue-problems-in-relativistic-quantum-chemistry-1512.08934"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-solver-for-large-structured-eigenvalue-problems-in-relativistic-quantum-chemistry-1512.08934"/></url>
<url><loc>https://scifaro.com/en/abs/curl-flux-coherence-and-population-landscape-of-molecular-systems-nonequilibrium-quantum-steady-state-energy-charge-transport-and-thermodynamics-1512.08966</loc><lastmod>2016-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/curl-flux-coherence-and-population-landscape-of-molecular-systems-nonequilibrium-quantum-steady-state-energy-charge-transport-and-thermodynamics-1512.08966"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/curl-flux-coherence-and-population-landscape-of-molecular-systems-nonequilibrium-quantum-steady-state-energy-charge-transport-and-thermodynamics-1512.08966"/></url>
<url><loc>https://scifaro.com/en/abs/origin-of-long-lived-coherence-and-excitation-dynamics-in-pigment-protein-complexes-1512.08968</loc><lastmod>2017-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/origin-of-long-lived-coherence-and-excitation-dynamics-in-pigment-protein-complexes-1512.08968"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/origin-of-long-lived-coherence-and-excitation-dynamics-in-pigment-protein-complexes-1512.08968"/></url>
<url><loc>https://scifaro.com/en/abs/shape-orientation-and-magnitude-of-the-curl-quantum-flux-the-coherence-and-the-statistical-correlations-in-energy-transport-at-nonequilibrium-steady-state-1512.08971</loc><lastmod>2016-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/shape-orientation-and-magnitude-of-the-curl-quantum-flux-the-coherence-and-the-statistical-correlations-in-energy-transport-at-nonequilibrium-steady-state-1512.08971"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/shape-orientation-and-magnitude-of-the-curl-quantum-flux-the-coherence-and-the-statistical-correlations-in-energy-transport-at-nonequilibrium-steady-state-1512.08971"/></url>
<url><loc>https://scifaro.com/en/abs/a-time-dependent-formulation-of-multi-reference-perturbation-theory-1512.09213</loc><lastmod>2018-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-time-dependent-formulation-of-multi-reference-perturbation-theory-1512.09213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-time-dependent-formulation-of-multi-reference-perturbation-theory-1512.09213"/></url>
<url><loc>https://scifaro.com/en/abs/new-approaches-for-ab-initio-calculations-of-molecules-with-strong-electron-correlation-1512.09267</loc><lastmod>2017-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-approaches-for-ab-initio-calculations-of-molecules-with-strong-electron-correlation-1512.09267"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-approaches-for-ab-initio-calculations-of-molecules-with-strong-electron-correlation-1512.09267"/></url>
<url><loc>https://scifaro.com/en/abs/computationally-designed-zirconium-organometallic-catalyst-for-direct-epoxidation-of-alkenes-without-allylic-h-atoms-aromatic-linkage-eliminates-formation-of-inert-octahedral-complexes-1512.09372</loc><lastmod>2016-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computationally-designed-zirconium-organometallic-catalyst-for-direct-epoxidation-of-alkenes-without-allylic-h-atoms-aromatic-linkage-eliminates-formation-of-inert-octahedral-complexes-1512.09372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computationally-designed-zirconium-organometallic-catalyst-for-direct-epoxidation-of-alkenes-without-allylic-h-atoms-aromatic-linkage-eliminates-formation-of-inert-octahedral-complexes-1512.09372"/></url>
<url><loc>https://scifaro.com/en/abs/correlated-electronic-properties-of-a-graphene-nanoflake-coronene-1601.00053</loc><lastmod>2019-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlated-electronic-properties-of-a-graphene-nanoflake-coronene-1601.00053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlated-electronic-properties-of-a-graphene-nanoflake-coronene-1601.00053"/></url>
<url><loc>https://scifaro.com/en/abs/reverse-degradation-of-nickel-graphene-junction-by-hydrogen-annealing-1601.00109</loc><lastmod>2016-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reverse-degradation-of-nickel-graphene-junction-by-hydrogen-annealing-1601.00109"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reverse-degradation-of-nickel-graphene-junction-by-hydrogen-annealing-1601.00109"/></url>
<url><loc>https://scifaro.com/en/abs/curvature-dependence-of-the-liquid-vapor-surface-tension-beyond-the-tolman-approximation-1601.00468</loc><lastmod>2016-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/curvature-dependence-of-the-liquid-vapor-surface-tension-beyond-the-tolman-approximation-1601.00468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/curvature-dependence-of-the-liquid-vapor-surface-tension-beyond-the-tolman-approximation-1601.00468"/></url>
<url><loc>https://scifaro.com/en/abs/using-symmetry-adapted-optimized-sum-of-products-basis-functions-to-calculate-vibrational-spectra-1601.00521</loc><lastmod>2016-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-symmetry-adapted-optimized-sum-of-products-basis-functions-to-calculate-vibrational-spectra-1601.00521"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-symmetry-adapted-optimized-sum-of-products-basis-functions-to-calculate-vibrational-spectra-1601.00521"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-and-improving-the-efficiency-of-full-configuration-interaction-quantum-monte-carlo-1601.00865</loc><lastmod>2016-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-and-improving-the-efficiency-of-full-configuration-interaction-quantum-monte-carlo-1601.00865"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-and-improving-the-efficiency-of-full-configuration-interaction-quantum-monte-carlo-1601.00865"/></url>
<url><loc>https://scifaro.com/en/abs/curvature-dependent-adsorption-of-water-inside-and-outside-armchair-carbon-nanotubes-1601.01346</loc><lastmod>2016-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/curvature-dependent-adsorption-of-water-inside-and-outside-armchair-carbon-nanotubes-1601.01346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/curvature-dependent-adsorption-of-water-inside-and-outside-armchair-carbon-nanotubes-1601.01346"/></url>
<url><loc>https://scifaro.com/en/abs/study-of-some-simple-approximations-to-the-non-interacting-kinetic-energy-functional-1601.01721</loc><lastmod>2016-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-of-some-simple-approximations-to-the-non-interacting-kinetic-energy-functional-1601.01721"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-of-some-simple-approximations-to-the-non-interacting-kinetic-energy-functional-1601.01721"/></url>
<url><loc>https://scifaro.com/en/abs/do-cooperative-cycles-of-hydrogen-bonding-exist-in-proteins-1601.01792</loc><lastmod>2016-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/do-cooperative-cycles-of-hydrogen-bonding-exist-in-proteins-1601.01792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/do-cooperative-cycles-of-hydrogen-bonding-exist-in-proteins-1601.01792"/></url>
<url><loc>https://scifaro.com/en/abs/a-classical-reactive-potential-for-molecular-clusters-of-sulphuric-acid-and-water-1601.02401</loc><lastmod>2016-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-classical-reactive-potential-for-molecular-clusters-of-sulphuric-acid-and-water-1601.02401"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-classical-reactive-potential-for-molecular-clusters-of-sulphuric-acid-and-water-1601.02401"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-hierarchical-parallelization-of-ab-initio-simulations-1601.02713</loc><lastmod>2016-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-hierarchical-parallelization-of-ab-initio-simulations-1601.02713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-hierarchical-parallelization-of-ab-initio-simulations-1601.02713"/></url>
<url><loc>https://scifaro.com/en/abs/the-breakdown-of-the-reaction-diffusion-master-equation-with-non-elementary-rates-1601.03064</loc><lastmod>2016-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-breakdown-of-the-reaction-diffusion-master-equation-with-non-elementary-rates-1601.03064"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-breakdown-of-the-reaction-diffusion-master-equation-with-non-elementary-rates-1601.03064"/></url>
<url><loc>https://scifaro.com/en/abs/orbkit-a-modular-python-toolbox-for-cross-platform-post-processing-of-quantum-chemical-wavefunction-data-1601.03069</loc><lastmod>2016-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbkit-a-modular-python-toolbox-for-cross-platform-post-processing-of-quantum-chemical-wavefunction-data-1601.03069"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbkit-a-modular-python-toolbox-for-cross-platform-post-processing-of-quantum-chemical-wavefunction-data-1601.03069"/></url>
<url><loc>https://scifaro.com/en/abs/hot-carrier-extraction-with-plasmonic-broadband-absorbers-1601.03119</loc><lastmod>2016-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hot-carrier-extraction-with-plasmonic-broadband-absorbers-1601.03119"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hot-carrier-extraction-with-plasmonic-broadband-absorbers-1601.03119"/></url>
<url><loc>https://scifaro.com/en/abs/nonequilibrium-thermodynamic-formalism-of-nonlinear-chemical-reaction-systems-with-waage-guldberg-s-law-of-mass-action-1601.03158</loc><lastmod>2016-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonequilibrium-thermodynamic-formalism-of-nonlinear-chemical-reaction-systems-with-waage-guldberg-s-law-of-mass-action-1601.03158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonequilibrium-thermodynamic-formalism-of-nonlinear-chemical-reaction-systems-with-waage-guldberg-s-law-of-mass-action-1601.03158"/></url>
<url><loc>https://scifaro.com/en/abs/mesoscopic-kinetic-basis-of-macroscopic-chemical-thermodynamics-a-mathematical-theory-1601.03159</loc><lastmod>2016-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mesoscopic-kinetic-basis-of-macroscopic-chemical-thermodynamics-a-mathematical-theory-1601.03159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mesoscopic-kinetic-basis-of-macroscopic-chemical-thermodynamics-a-mathematical-theory-1601.03159"/></url>
<url><loc>https://scifaro.com/en/abs/interfacial-thermal-conductance-of-thiolate-protected-gold-nanospheres-1601.03315</loc><lastmod>2016-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interfacial-thermal-conductance-of-thiolate-protected-gold-nanospheres-1601.03315"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interfacial-thermal-conductance-of-thiolate-protected-gold-nanospheres-1601.03315"/></url>
<url><loc>https://scifaro.com/en/abs/direct-time-domain-observation-of-conformational-relaxation-in-gas-phase-cold-collisions-1601.03359</loc><lastmod>2016-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-time-domain-observation-of-conformational-relaxation-in-gas-phase-cold-collisions-1601.03359"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-time-domain-observation-of-conformational-relaxation-in-gas-phase-cold-collisions-1601.03359"/></url>
<url><loc>https://scifaro.com/en/abs/the-uniform-electron-gas-1601.03544</loc><lastmod>2016-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-uniform-electron-gas-1601.03544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-uniform-electron-gas-1601.03544"/></url>
<url><loc>https://scifaro.com/en/abs/schr-odinger-equation-solved-for-the-hydrogen-molecule-with-unprecedented-accuracy-1601.03685</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/schr-odinger-equation-solved-for-the-hydrogen-molecule-with-unprecedented-accuracy-1601.03685"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/schr-odinger-equation-solved-for-the-hydrogen-molecule-with-unprecedented-accuracy-1601.03685"/></url>
<url><loc>https://scifaro.com/en/abs/coherence-specific-signal-detection-via-chiral-pump-probe-spectroscopy-1601.03888</loc><lastmod>2016-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherence-specific-signal-detection-via-chiral-pump-probe-spectroscopy-1601.03888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherence-specific-signal-detection-via-chiral-pump-probe-spectroscopy-1601.03888"/></url>
<url><loc>https://scifaro.com/en/abs/convergence-properties-of-the-multipole-expansion-of-the-exchange-contribution-to-the-interaction-energy-1601.03923</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/convergence-properties-of-the-multipole-expansion-of-the-exchange-contribution-to-the-interaction-energy-1601.03923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/convergence-properties-of-the-multipole-expansion-of-the-exchange-contribution-to-the-interaction-energy-1601.03923"/></url>
<url><loc>https://scifaro.com/en/abs/minimization-principle-for-non-degenerate-excited-states-independent-of-orthogonality-to-lower-lying-known-approximants-1601.04106</loc><lastmod>2016-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/minimization-principle-for-non-degenerate-excited-states-independent-of-orthogonality-to-lower-lying-known-approximants-1601.04106"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/minimization-principle-for-non-degenerate-excited-states-independent-of-orthogonality-to-lower-lying-known-approximants-1601.04106"/></url>
<url><loc>https://scifaro.com/en/abs/estimation-of-the-accuracy-of-method-for-quantitative-determination-of-volatile-compounds-in-alcohol-products-1601.04159</loc><lastmod>2016-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/estimation-of-the-accuracy-of-method-for-quantitative-determination-of-volatile-compounds-in-alcohol-products-1601.04159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/estimation-of-the-accuracy-of-method-for-quantitative-determination-of-volatile-compounds-in-alcohol-products-1601.04159"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-and-optical-properties-of-the-narrowest-armchair-graphene-nanoribbons-studied-by-density-functional-methods-1601.04205</loc><lastmod>2016-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-and-optical-properties-of-the-narrowest-armchair-graphene-nanoribbons-studied-by-density-functional-methods-1601.04205"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-and-optical-properties-of-the-narrowest-armchair-graphene-nanoribbons-studied-by-density-functional-methods-1601.04205"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-single-molecule-identification-of-carbohydrate-isomers-by-recognition-tunneling-1601.04221</loc><lastmod>2017-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-single-molecule-identification-of-carbohydrate-isomers-by-recognition-tunneling-1601.04221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-single-molecule-identification-of-carbohydrate-isomers-by-recognition-tunneling-1601.04221"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-spectroscopy-via-the-caldeira-leggett-model-with-anharmonic-system-potentials-1601.04470</loc><lastmod>2016-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-spectroscopy-via-the-caldeira-leggett-model-with-anharmonic-system-potentials-1601.04470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-spectroscopy-via-the-caldeira-leggett-model-with-anharmonic-system-potentials-1601.04470"/></url>
<url><loc>https://scifaro.com/en/abs/pair-eigenstates-and-mutual-alignment-of-coupled-molecular-rotors-in-a-magnetic-field-1601.04860</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pair-eigenstates-and-mutual-alignment-of-coupled-molecular-rotors-in-a-magnetic-field-1601.04860"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pair-eigenstates-and-mutual-alignment-of-coupled-molecular-rotors-in-a-magnetic-field-1601.04860"/></url>
<url><loc>https://scifaro.com/en/abs/luminescent-and-absorptive-metal-coated-emulsions-for-micro-velocimetry-1601.05027</loc><lastmod>2016-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/luminescent-and-absorptive-metal-coated-emulsions-for-micro-velocimetry-1601.05027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/luminescent-and-absorptive-metal-coated-emulsions-for-micro-velocimetry-1601.05027"/></url>
<url><loc>https://scifaro.com/en/abs/a-room-temperature-co-2-line-list-with-ab-initio-computed-intensities-1601.05334</loc><lastmod>2016-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-room-temperature-co-2-line-list-with-ab-initio-computed-intensities-1601.05334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-room-temperature-co-2-line-list-with-ab-initio-computed-intensities-1601.05334"/></url>
<url><loc>https://scifaro.com/en/abs/method-ethanol-as-internal-standard-for-determination-of-volatile-compounds-in-alcohol-products-by-gas-chromatography-in-daily-practice-1601.05587</loc><lastmod>2016-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/method-ethanol-as-internal-standard-for-determination-of-volatile-compounds-in-alcohol-products-by-gas-chromatography-in-daily-practice-1601.05587"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/method-ethanol-as-internal-standard-for-determination-of-volatile-compounds-in-alcohol-products-by-gas-chromatography-in-daily-practice-1601.05587"/></url>
<url><loc>https://scifaro.com/en/abs/suppression-of-nano-channel-ion-conductance-by-electro-osmotic-flow-in-nano-channels-with-weakly-overlapping-electrical-double-layers-1601.05899</loc><lastmod>2017-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/suppression-of-nano-channel-ion-conductance-by-electro-osmotic-flow-in-nano-channels-with-weakly-overlapping-electrical-double-layers-1601.05899"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/suppression-of-nano-channel-ion-conductance-by-electro-osmotic-flow-in-nano-channels-with-weakly-overlapping-electrical-double-layers-1601.05899"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-with-reoptimized-perturbatively-selected-configuration-interaction-wave-functions-1601.05915</loc><lastmod>2016-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-with-reoptimized-perturbatively-selected-configuration-interaction-wave-functions-1601.05915"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-with-reoptimized-perturbatively-selected-configuration-interaction-wave-functions-1601.05915"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-the-accuracy-of-coupled-cluster-perturbation-theory-for-open-shell-systems-ii-quadruples-expansions-1601.06379</loc><lastmod>2016-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-the-accuracy-of-coupled-cluster-perturbation-theory-for-open-shell-systems-ii-quadruples-expansions-1601.06379"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-the-accuracy-of-coupled-cluster-perturbation-theory-for-open-shell-systems-ii-quadruples-expansions-1601.06379"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-density-functional-theory-of-water-including-density-polarization-coupling-1601.06535</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-density-functional-theory-of-water-including-density-polarization-coupling-1601.06535"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-density-functional-theory-of-water-including-density-polarization-coupling-1601.06535"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-based-on-the-electron-distribution-on-the-energy-coordinate-1601.06553</loc><lastmod>2018-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-based-on-the-electron-distribution-on-the-energy-coordinate-1601.06553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-based-on-the-electron-distribution-on-the-energy-coordinate-1601.06553"/></url>
<url><loc>https://scifaro.com/en/abs/mass-and-heat-diffusion-in-ternary-polymer-solutions-a-classical-irreversible-thermodynamics-approach-1601.06808</loc><lastmod>2016-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mass-and-heat-diffusion-in-ternary-polymer-solutions-a-classical-irreversible-thermodynamics-approach-1601.06808"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mass-and-heat-diffusion-in-ternary-polymer-solutions-a-classical-irreversible-thermodynamics-approach-1601.06808"/></url>
<url><loc>https://scifaro.com/en/abs/the-physical-origin-of-hydrophobic-effects-1601.06889</loc><lastmod>2017-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-physical-origin-of-hydrophobic-effects-1601.06889"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-physical-origin-of-hydrophobic-effects-1601.06889"/></url>
<url><loc>https://scifaro.com/en/abs/graphene-oxide-and-adsorption-of-chloroform-a-density-functional-study-1601.07329</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graphene-oxide-and-adsorption-of-chloroform-a-density-functional-study-1601.07329"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graphene-oxide-and-adsorption-of-chloroform-a-density-functional-study-1601.07329"/></url>
<url><loc>https://scifaro.com/en/abs/continuous-probe-of-cold-complex-molecules-with-infrared-frequency-comb-spectroscopy-1601.07845</loc><lastmod>2016-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuous-probe-of-cold-complex-molecules-with-infrared-frequency-comb-spectroscopy-1601.07845"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuous-probe-of-cold-complex-molecules-with-infrared-frequency-comb-spectroscopy-1601.07845"/></url>
<url><loc>https://scifaro.com/en/abs/radiative-lifetimes-and-cooling-functions-for-astrophysically-important-molecules-1601.07997</loc><lastmod>2016-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/radiative-lifetimes-and-cooling-functions-for-astrophysically-important-molecules-1601.07997"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/radiative-lifetimes-and-cooling-functions-for-astrophysically-important-molecules-1601.07997"/></url>
<url><loc>https://scifaro.com/en/abs/mechanism-for-the-stabilization-of-protein-clusters-above-the-solubility-curve-the-role-of-non-ideal-chemical-reactions-1601.08043</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanism-for-the-stabilization-of-protein-clusters-above-the-solubility-curve-the-role-of-non-ideal-chemical-reactions-1601.08043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanism-for-the-stabilization-of-protein-clusters-above-the-solubility-curve-the-role-of-non-ideal-chemical-reactions-1601.08043"/></url>
<url><loc>https://scifaro.com/en/abs/chains-of-benzenes-with-lithium-atom-adsorption-vibrations-and-spontaneous-symmetry-breaking-1601.08159</loc><lastmod>2017-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chains-of-benzenes-with-lithium-atom-adsorption-vibrations-and-spontaneous-symmetry-breaking-1601.08159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chains-of-benzenes-with-lithium-atom-adsorption-vibrations-and-spontaneous-symmetry-breaking-1601.08159"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-heterogeneity-in-the-monoclinic-phase-of-ccl-4-1602.00595</loc><lastmod>2016-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-heterogeneity-in-the-monoclinic-phase-of-ccl-4-1602.00595"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-heterogeneity-in-the-monoclinic-phase-of-ccl-4-1602.00595"/></url>
<url><loc>https://scifaro.com/en/abs/spin-adapted-matrix-product-states-and-operators-1602.01145</loc><lastmod>2016-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-adapted-matrix-product-states-and-operators-1602.01145"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-adapted-matrix-product-states-and-operators-1602.01145"/></url>
<url><loc>https://scifaro.com/en/abs/continuum-atomistic-simulation-of-picosecond-laser-heating-of-copper-with-electron-heat-capacity-from-ab-initio-calculation-1602.01180</loc><lastmod>2016-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuum-atomistic-simulation-of-picosecond-laser-heating-of-copper-with-electron-heat-capacity-from-ab-initio-calculation-1602.01180"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuum-atomistic-simulation-of-picosecond-laser-heating-of-copper-with-electron-heat-capacity-from-ab-initio-calculation-1602.01180"/></url>
<url><loc>https://scifaro.com/en/abs/solvent-fluctuations-induce-non-markovian-kinetics-in-hydrophobic-pocket-ligand-binding-1602.01611</loc><lastmod>2016-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvent-fluctuations-induce-non-markovian-kinetics-in-hydrophobic-pocket-ligand-binding-1602.01611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvent-fluctuations-induce-non-markovian-kinetics-in-hydrophobic-pocket-ligand-binding-1602.01611"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-protective-mechanism-in-photosynthesis-1602.01689</loc><lastmod>2016-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-protective-mechanism-in-photosynthesis-1602.01689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-protective-mechanism-in-photosynthesis-1602.01689"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-multireference-study-of-si3-electronic-manifold-1602.02078</loc><lastmod>2016-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-multireference-study-of-si3-electronic-manifold-1602.02078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-multireference-study-of-si3-electronic-manifold-1602.02078"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-renormalized-natural-orbital-theory-applied-to-laser-driven-h-2-1602.02104</loc><lastmod>2017-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-renormalized-natural-orbital-theory-applied-to-laser-driven-h-2-1602.02104"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-renormalized-natural-orbital-theory-applied-to-laser-driven-h-2-1602.02104"/></url>
<url><loc>https://scifaro.com/en/abs/on-augmented-kohn-sham-potential-for-energy-as-a-simple-sum-of-orbital-energies-1602.02447</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-augmented-kohn-sham-potential-for-energy-as-a-simple-sum-of-orbital-energies-1602.02447"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-augmented-kohn-sham-potential-for-energy-as-a-simple-sum-of-orbital-energies-1602.02447"/></url>
<url><loc>https://scifaro.com/en/abs/a-screened-automated-structural-search-with-semiempirical-methods-1602.03174</loc><lastmod>2016-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-screened-automated-structural-search-with-semiempirical-methods-1602.03174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-screened-automated-structural-search-with-semiempirical-methods-1602.03174"/></url>
<url><loc>https://scifaro.com/en/abs/ground-state-energy-as-a-simple-sum-of-orbital-energies-in-kohn-sham-theory-a-shift-in-perspective-through-a-shift-in-potential-1602.03267</loc><lastmod>2016-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ground-state-energy-as-a-simple-sum-of-orbital-energies-in-kohn-sham-theory-a-shift-in-perspective-through-a-shift-in-potential-1602.03267"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ground-state-energy-as-a-simple-sum-of-orbital-energies-in-kohn-sham-theory-a-shift-in-perspective-through-a-shift-in-potential-1602.03267"/></url>
<url><loc>https://scifaro.com/en/abs/using-full-configuration-interaction-quantum-monte-carlo-in-a-seniority-zero-space-to-investigate-the-correlation-energy-equivalence-of-pair-coupled-cluster-doubles-and-doubly-occupied-configuration-interaction-1602.03543</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-full-configuration-interaction-quantum-monte-carlo-in-a-seniority-zero-space-to-investigate-the-correlation-energy-equivalence-of-pair-coupled-cluster-doubles-and-doubly-occupied-configuration-interaction-1602.03543"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-full-configuration-interaction-quantum-monte-carlo-in-a-seniority-zero-space-to-investigate-the-correlation-energy-equivalence-of-pair-coupled-cluster-doubles-and-doubly-occupied-configuration-interaction-1602.03543"/></url>
<url><loc>https://scifaro.com/en/abs/probing-defects-and-correlations-in-the-hydrogen-bond-network-of-ab-initio-water-1602.03577</loc><lastmod>2016-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-defects-and-correlations-in-the-hydrogen-bond-network-of-ab-initio-water-1602.03577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-defects-and-correlations-in-the-hydrogen-bond-network-of-ab-initio-water-1602.03577"/></url>
<url><loc>https://scifaro.com/en/abs/density-matrix-propagation-driven-by-semiclassical-correlation-1602.03723</loc><lastmod>2016-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-matrix-propagation-driven-by-semiclassical-correlation-1602.03723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-matrix-propagation-driven-by-semiclassical-correlation-1602.03723"/></url>
<url><loc>https://scifaro.com/en/abs/consistent-interpretation-of-molecular-simulation-kinetics-using-markov-state-models-biased-with-external-information-1602.03809</loc><lastmod>2016-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/consistent-interpretation-of-molecular-simulation-kinetics-using-markov-state-models-biased-with-external-information-1602.03809"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/consistent-interpretation-of-molecular-simulation-kinetics-using-markov-state-models-biased-with-external-information-1602.03809"/></url>
<url><loc>https://scifaro.com/en/abs/automated-selection-of-active-orbital-spaces-1602.03835</loc><lastmod>2016-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-selection-of-active-orbital-spaces-1602.03835"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-selection-of-active-orbital-spaces-1602.03835"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-wavepackets-for-non-adiabatic-molecular-dynamics-a-generalization-of-gaussian-wavepacket-dynamics-to-multiple-potential-energy-surfaces-1602.03876</loc><lastmod>2016-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-wavepackets-for-non-adiabatic-molecular-dynamics-a-generalization-of-gaussian-wavepacket-dynamics-to-multiple-potential-energy-surfaces-1602.03876"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-wavepackets-for-non-adiabatic-molecular-dynamics-a-generalization-of-gaussian-wavepacket-dynamics-to-multiple-potential-energy-surfaces-1602.03876"/></url>
<url><loc>https://scifaro.com/en/abs/multi-layer-multi-configuration-time-dependent-hartree-ml-mctdh-approach-to-the-correlated-exciton-vibrational-dynamics-in-the-fmo-complex-1602.03973</loc><lastmod>2016-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-layer-multi-configuration-time-dependent-hartree-ml-mctdh-approach-to-the-correlated-exciton-vibrational-dynamics-in-the-fmo-complex-1602.03973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-layer-multi-configuration-time-dependent-hartree-ml-mctdh-approach-to-the-correlated-exciton-vibrational-dynamics-in-the-fmo-complex-1602.03973"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-dynamics-around-a-conical-intersection-with-surface-hopping-coupled-coherent-states-1602.04083</loc><lastmod>2016-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-dynamics-around-a-conical-intersection-with-surface-hopping-coupled-coherent-states-1602.04083"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-dynamics-around-a-conical-intersection-with-surface-hopping-coupled-coherent-states-1602.04083"/></url>
<url><loc>https://scifaro.com/en/abs/towards-a-molecular-level-understanding-of-the-sulfanilamide-soil-organic-matter-interaction-1602.04357</loc><lastmod>2016-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-a-molecular-level-understanding-of-the-sulfanilamide-soil-organic-matter-interaction-1602.04357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-a-molecular-level-understanding-of-the-sulfanilamide-soil-organic-matter-interaction-1602.04357"/></url>
<url><loc>https://scifaro.com/en/abs/ultrahigh-molecular-recognition-specificity-of-competing-dna-oligonucleotide-strands-in-thermal-equilibrium-a-cooperative-transition-to-order-1602.04722</loc><lastmod>2020-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrahigh-molecular-recognition-specificity-of-competing-dna-oligonucleotide-strands-in-thermal-equilibrium-a-cooperative-transition-to-order-1602.04722"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrahigh-molecular-recognition-specificity-of-competing-dna-oligonucleotide-strands-in-thermal-equilibrium-a-cooperative-transition-to-order-1602.04722"/></url>
<url><loc>https://scifaro.com/en/abs/current-issues-in-finite-t-density-functional-theory-and-warm-correlated-matter-1602.04734</loc><lastmod>2016-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/current-issues-in-finite-t-density-functional-theory-and-warm-correlated-matter-1602.04734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/current-issues-in-finite-t-density-functional-theory-and-warm-correlated-matter-1602.04734"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-dynamics-investigation-of-the-initial-electron-transfer-in-the-cyclobutane-pyrimidine-dimer-lesion-repair-process-by-photolyases-1602.05044</loc><lastmod>2016-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-dynamics-investigation-of-the-initial-electron-transfer-in-the-cyclobutane-pyrimidine-dimer-lesion-repair-process-by-photolyases-1602.05044"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-dynamics-investigation-of-the-initial-electron-transfer-in-the-cyclobutane-pyrimidine-dimer-lesion-repair-process-by-photolyases-1602.05044"/></url>
<url><loc>https://scifaro.com/en/abs/maximizing-the-hyperpolarizability-of-1d-potentials-with-multiple-electrons-1602.05246</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/maximizing-the-hyperpolarizability-of-1d-potentials-with-multiple-electrons-1602.05246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/maximizing-the-hyperpolarizability-of-1d-potentials-with-multiple-electrons-1602.05246"/></url>
<url><loc>https://scifaro.com/en/abs/exchange-correlation-functionals-via-local-interpolation-along-the-adiabatic-connection-1602.05434</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-correlation-functionals-via-local-interpolation-along-the-adiabatic-connection-1602.05434"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-correlation-functionals-via-local-interpolation-along-the-adiabatic-connection-1602.05434"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-torsional-sound-in-linear-atomic-chains-chemical-energy-transport-at-1000-km-s-1602.05615</loc><lastmod>2016-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-torsional-sound-in-linear-atomic-chains-chemical-energy-transport-at-1000-km-s-1602.05615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-torsional-sound-in-linear-atomic-chains-chemical-energy-transport-at-1000-km-s-1602.05615"/></url>
<url><loc>https://scifaro.com/en/abs/towards-numerically-robust-multireference-theories-the-driven-similarity-renormalization-group-truncated-to-one-and-two-body-operators-1602.05667</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-numerically-robust-multireference-theories-the-driven-similarity-renormalization-group-truncated-to-one-and-two-body-operators-1602.05667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-numerically-robust-multireference-theories-the-driven-similarity-renormalization-group-truncated-to-one-and-two-body-operators-1602.05667"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-dynamics-of-mixed-frenkel-and-charge-transfer-excitons-in-dinaphtho-2-3-b-2-3-f-thieno-3-2-b-thiophene-thin-films-the-importance-of-hole-delocalization-1602.05678</loc><lastmod>2016-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-dynamics-of-mixed-frenkel-and-charge-transfer-excitons-in-dinaphtho-2-3-b-2-3-f-thieno-3-2-b-thiophene-thin-films-the-importance-of-hole-delocalization-1602.05678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-dynamics-of-mixed-frenkel-and-charge-transfer-excitons-in-dinaphtho-2-3-b-2-3-f-thieno-3-2-b-thiophene-thin-films-the-importance-of-hole-delocalization-1602.05678"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-temperature-dependent-green-s-function-methods-for-realistic-systems-using-cubic-spline-interpolation-to-approximate-matsubara-green-s-functions-1602.05898</loc><lastmod>2016-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-temperature-dependent-green-s-function-methods-for-realistic-systems-using-cubic-spline-interpolation-to-approximate-matsubara-green-s-functions-1602.05898"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-temperature-dependent-green-s-function-methods-for-realistic-systems-using-cubic-spline-interpolation-to-approximate-matsubara-green-s-functions-1602.05898"/></url>
<url><loc>https://scifaro.com/en/abs/multiscale-modeling-of-the-effect-of-pressure-on-the-interfacial-tension-and-other-cohesion-parameters-in-binary-mixtures-1602.05921</loc><lastmod>2016-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-modeling-of-the-effect-of-pressure-on-the-interfacial-tension-and-other-cohesion-parameters-in-binary-mixtures-1602.05921"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-modeling-of-the-effect-of-pressure-on-the-interfacial-tension-and-other-cohesion-parameters-in-binary-mixtures-1602.05921"/></url>
<url><loc>https://scifaro.com/en/abs/parametrisation-in-electrostatic-dpd-dynamics-and-applications-1602.05935</loc><lastmod>2016-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parametrisation-in-electrostatic-dpd-dynamics-and-applications-1602.05935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parametrisation-in-electrostatic-dpd-dynamics-and-applications-1602.05935"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-inclusion-of-the-diagonal-born-oppenheimer-correction-in-surface-hopping-methods-1602.06325</loc><lastmod>2016-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-inclusion-of-the-diagonal-born-oppenheimer-correction-in-surface-hopping-methods-1602.06325"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-inclusion-of-the-diagonal-born-oppenheimer-correction-in-surface-hopping-methods-1602.06325"/></url>
<url><loc>https://scifaro.com/en/abs/mathematical-modeling-of-interdigitated-electrode-arrays-in-finite-electrochemical-cells-1602.06428</loc><lastmod>2016-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathematical-modeling-of-interdigitated-electrode-arrays-in-finite-electrochemical-cells-1602.06428"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathematical-modeling-of-interdigitated-electrode-arrays-in-finite-electrochemical-cells-1602.06428"/></url>
<url><loc>https://scifaro.com/en/abs/igg-adhesion-on-hydrophobic-surfaces-theory-modelling-and-application-to-elisa-1602.07091</loc><lastmod>2016-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/igg-adhesion-on-hydrophobic-surfaces-theory-modelling-and-application-to-elisa-1602.07091"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/igg-adhesion-on-hydrophobic-surfaces-theory-modelling-and-application-to-elisa-1602.07091"/></url>
<url><loc>https://scifaro.com/en/abs/gpview-a-program-for-wave-function-analysis-and-visualization-1602.07302</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gpview-a-program-for-wave-function-analysis-and-visualization-1602.07302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gpview-a-program-for-wave-function-analysis-and-visualization-1602.07302"/></url>
<url><loc>https://scifaro.com/en/abs/high-temperature-equation-of-state-of-metallic-hydrogen-1602.07327</loc><lastmod>2016-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-temperature-equation-of-state-of-metallic-hydrogen-1602.07327"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-temperature-equation-of-state-of-metallic-hydrogen-1602.07327"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-benefits-of-localized-modes-in-anharmonic-vibrational-calculations-for-small-molecules-1602.07461</loc><lastmod>2016-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-benefits-of-localized-modes-in-anharmonic-vibrational-calculations-for-small-molecules-1602.07461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-benefits-of-localized-modes-in-anharmonic-vibrational-calculations-for-small-molecules-1602.07461"/></url>
<url><loc>https://scifaro.com/en/abs/resonance-reaction-in-diffusion-influenced-bimolecular-reactions-1602.07469</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resonance-reaction-in-diffusion-influenced-bimolecular-reactions-1602.07469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resonance-reaction-in-diffusion-influenced-bimolecular-reactions-1602.07469"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-radiative-and-thermodynamic-properties-of-solid-and-liquid-uranium-and-plutonium-carbides-in-the-visible-near-infrared-range-1602.07654</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-radiative-and-thermodynamic-properties-of-solid-and-liquid-uranium-and-plutonium-carbides-in-the-visible-near-infrared-range-1602.07654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-radiative-and-thermodynamic-properties-of-solid-and-liquid-uranium-and-plutonium-carbides-in-the-visible-near-infrared-range-1602.07654"/></url>
<url><loc>https://scifaro.com/en/abs/tetrahedral-units-for-dodecahedral-super-structures-1602.07681</loc><lastmod>2016-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tetrahedral-units-for-dodecahedral-super-structures-1602.07681"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tetrahedral-units-for-dodecahedral-super-structures-1602.07681"/></url>
<url><loc>https://scifaro.com/en/abs/supplementary-conjugated-circuits-for-biphenylene-and-related-hydrocarbons-1602.07904</loc><lastmod>2016-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/supplementary-conjugated-circuits-for-biphenylene-and-related-hydrocarbons-1602.07904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/supplementary-conjugated-circuits-for-biphenylene-and-related-hydrocarbons-1602.07904"/></url>
<url><loc>https://scifaro.com/en/abs/detecting-chirality-in-molecules-by-linearly-polarized-laser-fields-1602.08946</loc><lastmod>2017-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detecting-chirality-in-molecules-by-linearly-polarized-laser-fields-1602.08946"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detecting-chirality-in-molecules-by-linearly-polarized-laser-fields-1602.08946"/></url>
<url><loc>https://scifaro.com/en/abs/textit-ab-initio-study-of-reactive-collisions-between-rb-2-s-or-rb-2-p-and-oh-1-sigma-1603.00261</loc><lastmod>2016-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/textit-ab-initio-study-of-reactive-collisions-between-rb-2-s-or-rb-2-p-and-oh-1-sigma-1603.00261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/textit-ab-initio-study-of-reactive-collisions-between-rb-2-s-or-rb-2-p-and-oh-1-sigma-1603.00261"/></url>
<url><loc>https://scifaro.com/en/abs/an-integral-factorized-implementation-of-the-driven-similarity-renormalization-group-second-order-multireference-perturbation-theory-1603.00561</loc><lastmod>2016-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-integral-factorized-implementation-of-the-driven-similarity-renormalization-group-second-order-multireference-perturbation-theory-1603.00561"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-integral-factorized-implementation-of-the-driven-similarity-renormalization-group-second-order-multireference-perturbation-theory-1603.00561"/></url>
<url><loc>https://scifaro.com/en/abs/lighting-the-landscape-molecular-events-under-dynamic-stark-shifts-1603.00795</loc><lastmod>2016-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lighting-the-landscape-molecular-events-under-dynamic-stark-shifts-1603.00795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lighting-the-landscape-molecular-events-under-dynamic-stark-shifts-1603.00795"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-density-functional-theory-beyond-kohn-sham-slater-determinants-1603.01176</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-density-functional-theory-beyond-kohn-sham-slater-determinants-1603.01176"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-density-functional-theory-beyond-kohn-sham-slater-determinants-1603.01176"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-studies-of-mtsl-nitroxide-side-chain-conformations-attached-to-an-activation-loop-1603.01390</loc><lastmod>2016-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-studies-of-mtsl-nitroxide-side-chain-conformations-attached-to-an-activation-loop-1603.01390"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-studies-of-mtsl-nitroxide-side-chain-conformations-attached-to-an-activation-loop-1603.01390"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemical-perspective-of-nanoscale-raman-spectroscopy-with-three-dimensional-phonon-confinement-model-1603.01438</loc><lastmod>2017-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemical-perspective-of-nanoscale-raman-spectroscopy-with-three-dimensional-phonon-confinement-model-1603.01438"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemical-perspective-of-nanoscale-raman-spectroscopy-with-three-dimensional-phonon-confinement-model-1603.01438"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-dimethylsulfoxide-glycerol-mixtures-a-binary-solvent-system-for-the-study-of-friction-dependent-chemical-reactivity-1603.01521</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-dimethylsulfoxide-glycerol-mixtures-a-binary-solvent-system-for-the-study-of-friction-dependent-chemical-reactivity-1603.01521"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-dimethylsulfoxide-glycerol-mixtures-a-binary-solvent-system-for-the-study-of-friction-dependent-chemical-reactivity-1603.01521"/></url>
<url><loc>https://scifaro.com/en/abs/surface-tension-of-ab-initio-liquid-water-at-the-water-air-interface-1603.01658</loc><lastmod>2016-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-tension-of-ab-initio-liquid-water-at-the-water-air-interface-1603.01658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-tension-of-ab-initio-liquid-water-at-the-water-air-interface-1603.01658"/></url>
<url><loc>https://scifaro.com/en/abs/eyring-equation-and-the-second-order-rate-law-overcoming-a-paradox-1603.01662</loc><lastmod>2016-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eyring-equation-and-the-second-order-rate-law-overcoming-a-paradox-1603.01662"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eyring-equation-and-the-second-order-rate-law-overcoming-a-paradox-1603.01662"/></url>
<url><loc>https://scifaro.com/en/abs/approximate-but-accurate-quantum-dynamics-from-the-mori-formalism-i-nonequilibrium-dynamics-1603.01903</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximate-but-accurate-quantum-dynamics-from-the-mori-formalism-i-nonequilibrium-dynamics-1603.01903"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximate-but-accurate-quantum-dynamics-from-the-mori-formalism-i-nonequilibrium-dynamics-1603.01903"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-quantum-master-equations-in-and-out-of-equilibrium-when-can-one-win-1603.01905</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-quantum-master-equations-in-and-out-of-equilibrium-when-can-one-win-1603.01905"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-quantum-master-equations-in-and-out-of-equilibrium-when-can-one-win-1603.01905"/></url>
<url><loc>https://scifaro.com/en/abs/supercell-convergence-of-charge-transfer-energies-in-pentacene-molecular-crystals-from-constrained-dft-1603.02174</loc><lastmod>2020-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/supercell-convergence-of-charge-transfer-energies-in-pentacene-molecular-crystals-from-constrained-dft-1603.02174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/supercell-convergence-of-charge-transfer-energies-in-pentacene-molecular-crystals-from-constrained-dft-1603.02174"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-use-of-slater-type-spinor-orbitals-in-dirac-hartree-fock-method-results-for-hydrogen-like-atoms-with-super-critical-nuclear-charge-1603.02307</loc><lastmod>2019-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-use-of-slater-type-spinor-orbitals-in-dirac-hartree-fock-method-results-for-hydrogen-like-atoms-with-super-critical-nuclear-charge-1603.02307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-use-of-slater-type-spinor-orbitals-in-dirac-hartree-fock-method-results-for-hydrogen-like-atoms-with-super-critical-nuclear-charge-1603.02307"/></url>
<url><loc>https://scifaro.com/en/abs/tight-binding-approximations-to-time-dependent-density-functional-theory-a-fast-approach-for-the-calculation-of-electronically-excited-states-1603.02571</loc><lastmod>2016-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tight-binding-approximations-to-time-dependent-density-functional-theory-a-fast-approach-for-the-calculation-of-electronically-excited-states-1603.02571"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tight-binding-approximations-to-time-dependent-density-functional-theory-a-fast-approach-for-the-calculation-of-electronically-excited-states-1603.02571"/></url>
<url><loc>https://scifaro.com/en/abs/the-sequence-to-hydrogenate-coronene-cations-a-journey-guided-by-magic-numbers-1603.02593</loc><lastmod>2016-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-sequence-to-hydrogenate-coronene-cations-a-journey-guided-by-magic-numbers-1603.02593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-sequence-to-hydrogenate-coronene-cations-a-journey-guided-by-magic-numbers-1603.02593"/></url>
<url><loc>https://scifaro.com/en/abs/wave-packet-dynamics-in-the-optimal-superadiabatic-approximation-1603.02610</loc><lastmod>2016-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wave-packet-dynamics-in-the-optimal-superadiabatic-approximation-1603.02610"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wave-packet-dynamics-in-the-optimal-superadiabatic-approximation-1603.02610"/></url>
<url><loc>https://scifaro.com/en/abs/solving-the-magic-angle-challenge-in-determining-molecular-orientation-at-interfaces-1603.02739</loc><lastmod>2016-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solving-the-magic-angle-challenge-in-determining-molecular-orientation-at-interfaces-1603.02739"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solving-the-magic-angle-challenge-in-determining-molecular-orientation-at-interfaces-1603.02739"/></url>
<url><loc>https://scifaro.com/en/abs/unexpected-red-shift-of-c-h-vibrational-band-of-methyl-benzoate-1603.02835</loc><lastmod>2016-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unexpected-red-shift-of-c-h-vibrational-band-of-methyl-benzoate-1603.02835"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unexpected-red-shift-of-c-h-vibrational-band-of-methyl-benzoate-1603.02835"/></url>
<url><loc>https://scifaro.com/en/abs/extent-of-hydrogen-coverage-of-si-001-under-chemical-vapor-deposition-conditions-from-ab-initio-approaches-1603.02918</loc><lastmod>2016-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extent-of-hydrogen-coverage-of-si-001-under-chemical-vapor-deposition-conditions-from-ab-initio-approaches-1603.02918"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extent-of-hydrogen-coverage-of-si-001-under-chemical-vapor-deposition-conditions-from-ab-initio-approaches-1603.02918"/></url>
<url><loc>https://scifaro.com/en/abs/localization-of-the-valence-electron-of-endohedrally-confined-hydrogen-lithium-and-sodium-in-fullerene-cages-1603.02978</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/localization-of-the-valence-electron-of-endohedrally-confined-hydrogen-lithium-and-sodium-in-fullerene-cages-1603.02978"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/localization-of-the-valence-electron-of-endohedrally-confined-hydrogen-lithium-and-sodium-in-fullerene-cages-1603.02978"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-properties-of-valence-electron-based-potential-functions-for-the-nonbonded-interactions-in-atomistic-force-fields-1603.03285</loc><lastmod>2016-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-properties-of-valence-electron-based-potential-functions-for-the-nonbonded-interactions-in-atomistic-force-fields-1603.03285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-properties-of-valence-electron-based-potential-functions-for-the-nonbonded-interactions-in-atomistic-force-fields-1603.03285"/></url>
<url><loc>https://scifaro.com/en/abs/nitrogen-substituted-polycyclic-aromatic-hydrocarbon-as-capable-interstellar-infrared-spectrum-source-considering-astronomical-chemical-evolution-step-to-biological-organic-purine-and-adenine-1603.03399</loc><lastmod>2016-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nitrogen-substituted-polycyclic-aromatic-hydrocarbon-as-capable-interstellar-infrared-spectrum-source-considering-astronomical-chemical-evolution-step-to-biological-organic-purine-and-adenine-1603.03399"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nitrogen-substituted-polycyclic-aromatic-hydrocarbon-as-capable-interstellar-infrared-spectrum-source-considering-astronomical-chemical-evolution-step-to-biological-organic-purine-and-adenine-1603.03399"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-scale-description-of-span80-desorption-from-the-squalane-water-interface-1603.04033</loc><lastmod>2016-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-scale-description-of-span80-desorption-from-the-squalane-water-interface-1603.04033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-scale-description-of-span80-desorption-from-the-squalane-water-interface-1603.04033"/></url>
<url><loc>https://scifaro.com/en/abs/near-locality-of-exchange-and-correlation-density-functionals-for-1-and-2-electron-systems-1603.04062</loc><lastmod>2016-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-locality-of-exchange-and-correlation-density-functionals-for-1-and-2-electron-systems-1603.04062"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-locality-of-exchange-and-correlation-density-functionals-for-1-and-2-electron-systems-1603.04062"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-self-consistent-green-s-function-second-order-perturbation-theory-sgf2-1603.04141</loc><lastmod>2016-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-self-consistent-green-s-function-second-order-perturbation-theory-sgf2-1603.04141"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-self-consistent-green-s-function-second-order-perturbation-theory-sgf2-1603.04141"/></url>
<url><loc>https://scifaro.com/en/abs/nanofocusing-shadowing-and-electron-mean-free-path-in-the-photoemission-from-aerosol-droplets-1603.04188</loc><lastmod>2016-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanofocusing-shadowing-and-electron-mean-free-path-in-the-photoemission-from-aerosol-droplets-1603.04188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanofocusing-shadowing-and-electron-mean-free-path-in-the-photoemission-from-aerosol-droplets-1603.04188"/></url>
<url><loc>https://scifaro.com/en/abs/conditions-for-describing-triplet-states-in-reduced-density-matrix-functional-theory-1603.04634</loc><lastmod>2016-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conditions-for-describing-triplet-states-in-reduced-density-matrix-functional-theory-1603.04634"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conditions-for-describing-triplet-states-in-reduced-density-matrix-functional-theory-1603.04634"/></url>
<url><loc>https://scifaro.com/en/abs/how-two-dimensional-brick-layer-j-aggregates-differ-from-linear-ones-excitonic-properties-and-line-broadening-mechanisms-1603.05138</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-two-dimensional-brick-layer-j-aggregates-differ-from-linear-ones-excitonic-properties-and-line-broadening-mechanisms-1603.05138"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-two-dimensional-brick-layer-j-aggregates-differ-from-linear-ones-excitonic-properties-and-line-broadening-mechanisms-1603.05138"/></url>
<url><loc>https://scifaro.com/en/abs/ghost-interaction-correction-in-ensemble-density-functional-theory-for-excited-states-with-and-without-range-separation-1603.05385</loc><lastmod>2016-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ghost-interaction-correction-in-ensemble-density-functional-theory-for-excited-states-with-and-without-range-separation-1603.05385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ghost-interaction-correction-in-ensemble-density-functional-theory-for-excited-states-with-and-without-range-separation-1603.05385"/></url>
<url><loc>https://scifaro.com/en/abs/a-nonlocal-poisson-fermi-model-for-ionic-solvent-1603.05597</loc><lastmod>2016-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-nonlocal-poisson-fermi-model-for-ionic-solvent-1603.05597"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-nonlocal-poisson-fermi-model-for-ionic-solvent-1603.05597"/></url>
<url><loc>https://scifaro.com/en/abs/many-electron-integrals-over-gaussian-basis-functions-i-recurrence-relations-for-three-electron-integrals-1603.05742</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-electron-integrals-over-gaussian-basis-functions-i-recurrence-relations-for-three-electron-integrals-1603.05742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-electron-integrals-over-gaussian-basis-functions-i-recurrence-relations-for-three-electron-integrals-1603.05742"/></url>
<url><loc>https://scifaro.com/en/abs/a-network-approach-to-unravel-correlated-ion-pair-dynamics-in-protic-ionic-liquids-the-case-of-triethylammonium-nitrate-1603.05985</loc><lastmod>2016-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-network-approach-to-unravel-correlated-ion-pair-dynamics-in-protic-ionic-liquids-the-case-of-triethylammonium-nitrate-1603.05985"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-network-approach-to-unravel-correlated-ion-pair-dynamics-in-protic-ionic-liquids-the-case-of-triethylammonium-nitrate-1603.05985"/></url>
<url><loc>https://scifaro.com/en/abs/improved-optimization-for-the-cluster-jastrow-antisymmetric-geminal-power-and-tests-on-triple-bond-dissociations-1603.06605</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-optimization-for-the-cluster-jastrow-antisymmetric-geminal-power-and-tests-on-triple-bond-dissociations-1603.06605"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-optimization-for-the-cluster-jastrow-antisymmetric-geminal-power-and-tests-on-triple-bond-dissociations-1603.06605"/></url>
<url><loc>https://scifaro.com/en/abs/a-speculative-study-of-non-linear-arrhenius-plot-by-using-fractional-calculus-1603.06768</loc><lastmod>2016-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-speculative-study-of-non-linear-arrhenius-plot-by-using-fractional-calculus-1603.06768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-speculative-study-of-non-linear-arrhenius-plot-by-using-fractional-calculus-1603.06768"/></url>
<url><loc>https://scifaro.com/en/abs/towards-an-ab-initio-theory-for-metal-l-edge-soft-x-ray-spectroscopy-of-molecular-aggregates-1603.07161</loc><lastmod>2016-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-an-ab-initio-theory-for-metal-l-edge-soft-x-ray-spectroscopy-of-molecular-aggregates-1603.07161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-an-ab-initio-theory-for-metal-l-edge-soft-x-ray-spectroscopy-of-molecular-aggregates-1603.07161"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-study-of-anti-hiv-drugs-by-thermal-decomposition-analysis-a-multilayer-artificial-neural-network-propose-1603.07178</loc><lastmod>2016-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-study-of-anti-hiv-drugs-by-thermal-decomposition-analysis-a-multilayer-artificial-neural-network-propose-1603.07178"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-study-of-anti-hiv-drugs-by-thermal-decomposition-analysis-a-multilayer-artificial-neural-network-propose-1603.07178"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-simulation-of-wave-packet-dynamics-on-multiple-coupled-potential-surfaces-with-split-potential-propagation-1603.07242</loc><lastmod>2016-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-simulation-of-wave-packet-dynamics-on-multiple-coupled-potential-surfaces-with-split-potential-propagation-1603.07242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-simulation-of-wave-packet-dynamics-on-multiple-coupled-potential-surfaces-with-split-potential-propagation-1603.07242"/></url>
<url><loc>https://scifaro.com/en/abs/performance-and-degradation-of-a-lithium-bromine-rechargeable-fuel-cell-using-highly-concentrated-catholytes-1603.07275</loc><lastmod>2016-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-and-degradation-of-a-lithium-bromine-rechargeable-fuel-cell-using-highly-concentrated-catholytes-1603.07275"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-and-degradation-of-a-lithium-bromine-rechargeable-fuel-cell-using-highly-concentrated-catholytes-1603.07275"/></url>
<url><loc>https://scifaro.com/en/abs/optimization-of-an-exchange-correlation-density-functional-for-water-1603.07302</loc><lastmod>2016-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimization-of-an-exchange-correlation-density-functional-for-water-1603.07302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimization-of-an-exchange-correlation-density-functional-for-water-1603.07302"/></url>
<url><loc>https://scifaro.com/en/abs/auxiliary-field-quantum-monte-carlo-calculations-of-the-molybdenum-dimer-1603.07336</loc><lastmod>2016-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/auxiliary-field-quantum-monte-carlo-calculations-of-the-molybdenum-dimer-1603.07336"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/auxiliary-field-quantum-monte-carlo-calculations-of-the-molybdenum-dimer-1603.07336"/></url>
<url><loc>https://scifaro.com/en/abs/an-alternative-derivation-of-ring-polymer-molecular-dynamics-transition-state-theory-1603.07966</loc><lastmod>2016-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-alternative-derivation-of-ring-polymer-molecular-dynamics-transition-state-theory-1603.07966"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-alternative-derivation-of-ring-polymer-molecular-dynamics-transition-state-theory-1603.07966"/></url>
<url><loc>https://scifaro.com/en/abs/the-haber-process-made-efficient-by-hydroxylated-graphene-1603.08041</loc><lastmod>2016-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-haber-process-made-efficient-by-hydroxylated-graphene-1603.08041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-haber-process-made-efficient-by-hydroxylated-graphene-1603.08041"/></url>
<url><loc>https://scifaro.com/en/abs/an-adaptive-configuration-interaction-approach-for-strongly-correlated-electrons-with-tunable-accuracy-1603.08063</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-adaptive-configuration-interaction-approach-for-strongly-correlated-electrons-with-tunable-accuracy-1603.08063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-adaptive-configuration-interaction-approach-for-strongly-correlated-electrons-with-tunable-accuracy-1603.08063"/></url>
<url><loc>https://scifaro.com/en/abs/the-diagnostics-of-the-chemical-reaction-zone-at-the-detonation-of-condensed-explosives-1603.08069</loc><lastmod>2016-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-diagnostics-of-the-chemical-reaction-zone-at-the-detonation-of-condensed-explosives-1603.08069"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-diagnostics-of-the-chemical-reaction-zone-at-the-detonation-of-condensed-explosives-1603.08069"/></url>
<url><loc>https://scifaro.com/en/abs/a-model-of-charge-transfer-excitons-diffusion-spin-dynamics-and-magnetic-field-effects-1603.08160</loc><lastmod>2016-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-model-of-charge-transfer-excitons-diffusion-spin-dynamics-and-magnetic-field-effects-1603.08160"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-model-of-charge-transfer-excitons-diffusion-spin-dynamics-and-magnetic-field-effects-1603.08160"/></url>
<url><loc>https://scifaro.com/en/abs/a-practical-guide-to-density-matrix-embedding-theory-in-quantum-chemistry-1603.08443</loc><lastmod>2016-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-practical-guide-to-density-matrix-embedding-theory-in-quantum-chemistry-1603.08443"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-practical-guide-to-density-matrix-embedding-theory-in-quantum-chemistry-1603.08443"/></url>
<url><loc>https://scifaro.com/en/abs/systematic-error-estimation-for-chemical-reaction-energies-1603.08557</loc><lastmod>2016-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematic-error-estimation-for-chemical-reaction-energies-1603.08557"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematic-error-estimation-for-chemical-reaction-energies-1603.08557"/></url>
<url><loc>https://scifaro.com/en/abs/van-der-waals-corrected-density-functional-theory-simulation-of-adsorption-processes-on-noble-metal-surfaces-xe-on-ag-111-au-111-and-cu-111-1603.08667</loc><lastmod>2016-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/van-der-waals-corrected-density-functional-theory-simulation-of-adsorption-processes-on-noble-metal-surfaces-xe-on-ag-111-au-111-and-cu-111-1603.08667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/van-der-waals-corrected-density-functional-theory-simulation-of-adsorption-processes-on-noble-metal-surfaces-xe-on-ag-111-au-111-and-cu-111-1603.08667"/></url>
<url><loc>https://scifaro.com/en/abs/cohesive-properties-of-noble-metals-by-van-der-waals-corrected-density-functional-theory-1603.08668</loc><lastmod>2016-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cohesive-properties-of-noble-metals-by-van-der-waals-corrected-density-functional-theory-1603.08668"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cohesive-properties-of-noble-metals-by-van-der-waals-corrected-density-functional-theory-1603.08668"/></url>
<url><loc>https://scifaro.com/en/abs/rates-and-singlet-triplet-ratios-from-tadf-transients-1603.08998</loc><lastmod>2016-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rates-and-singlet-triplet-ratios-from-tadf-transients-1603.08998"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rates-and-singlet-triplet-ratios-from-tadf-transients-1603.08998"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-fluid-slip-in-charged-capillary-nanopores-1603.09293</loc><lastmod>2016-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-fluid-slip-in-charged-capillary-nanopores-1603.09293"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-fluid-slip-in-charged-capillary-nanopores-1603.09293"/></url>
<url><loc>https://scifaro.com/en/abs/lithium-adsorbtion-on-polyacenes-zig-zag-edge-graphene-strips-1603.09308</loc><lastmod>2025-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lithium-adsorbtion-on-polyacenes-zig-zag-edge-graphene-strips-1603.09308"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lithium-adsorbtion-on-polyacenes-zig-zag-edge-graphene-strips-1603.09308"/></url>
<url><loc>https://scifaro.com/en/abs/designing-new-electrolytes-for-lithium-ion-batteries-using-superhalogen-anions-1604.00140</loc><lastmod>2018-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/designing-new-electrolytes-for-lithium-ion-batteries-using-superhalogen-anions-1604.00140"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/designing-new-electrolytes-for-lithium-ion-batteries-using-superhalogen-anions-1604.00140"/></url>
<url><loc>https://scifaro.com/en/abs/simulations-of-coherent-nonlinear-optical-response-of-molecular-vibronic-dimers-1604.00327</loc><lastmod>2017-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulations-of-coherent-nonlinear-optical-response-of-molecular-vibronic-dimers-1604.00327"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulations-of-coherent-nonlinear-optical-response-of-molecular-vibronic-dimers-1604.00327"/></url>
<url><loc>https://scifaro.com/en/abs/comment-about-the-use-of-monte-carlo-methodology-for-the-representation-of-atomic-electronic-densities-1604.00443</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-about-the-use-of-monte-carlo-methodology-for-the-representation-of-atomic-electronic-densities-1604.00443"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-about-the-use-of-monte-carlo-methodology-for-the-representation-of-atomic-electronic-densities-1604.00443"/></url>
<url><loc>https://scifaro.com/en/abs/thz-raman-identification-of-labile-products-in-the-system-phenol-semiquinone-quinone-1604.00497</loc><lastmod>2016-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thz-raman-identification-of-labile-products-in-the-system-phenol-semiquinone-quinone-1604.00497"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thz-raman-identification-of-labile-products-in-the-system-phenol-semiquinone-quinone-1604.00497"/></url>
<url><loc>https://scifaro.com/en/abs/superhalogens-as-building-blocks-of-complex-hydrides-for-hydrogen-storage-1604.00511</loc><lastmod>2018-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/superhalogens-as-building-blocks-of-complex-hydrides-for-hydrogen-storage-1604.00511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/superhalogens-as-building-blocks-of-complex-hydrides-for-hydrogen-storage-1604.00511"/></url>
<url><loc>https://scifaro.com/en/abs/solar-water-splitting-efficiency-discussion-1604.01094</loc><lastmod>2016-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solar-water-splitting-efficiency-discussion-1604.01094"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solar-water-splitting-efficiency-discussion-1604.01094"/></url>
<url><loc>https://scifaro.com/en/abs/room-temperature-chiral-discrimination-in-paramagnetic-nmr-spectroscopy-1604.01626</loc><lastmod>2016-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/room-temperature-chiral-discrimination-in-paramagnetic-nmr-spectroscopy-1604.01626"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/room-temperature-chiral-discrimination-in-paramagnetic-nmr-spectroscopy-1604.01626"/></url>
<url><loc>https://scifaro.com/en/abs/energetics-of-the-ak13-semi-local-kohn-sham-exchange-energy-functional-1604.01957</loc><lastmod>2016-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energetics-of-the-ak13-semi-local-kohn-sham-exchange-energy-functional-1604.01957"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energetics-of-the-ak13-semi-local-kohn-sham-exchange-energy-functional-1604.01957"/></url>
<url><loc>https://scifaro.com/en/abs/electron-transfer-pathway-analysis-in-bacterial-photosynthetic-reaction-center-1604.01982</loc><lastmod>2016-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-transfer-pathway-analysis-in-bacterial-photosynthetic-reaction-center-1604.01982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-transfer-pathway-analysis-in-bacterial-photosynthetic-reaction-center-1604.01982"/></url>
<url><loc>https://scifaro.com/en/abs/toward-an-improved-control-of-the-fixed-node-error-in-quantum-monte-carlo-the-case-of-the-water-molecule-1604.02183</loc><lastmod>2016-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-an-improved-control-of-the-fixed-node-error-in-quantum-monte-carlo-the-case-of-the-water-molecule-1604.02183"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-an-improved-control-of-the-fixed-node-error-in-quantum-monte-carlo-the-case-of-the-water-molecule-1604.02183"/></url>
<url><loc>https://scifaro.com/en/abs/peculiarities-of-the-sehrs-and-sers-spectra-of-bipyridine-molecule-1604.02326</loc><lastmod>2016-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/peculiarities-of-the-sehrs-and-sers-spectra-of-bipyridine-molecule-1604.02326"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/peculiarities-of-the-sehrs-and-sers-spectra-of-bipyridine-molecule-1604.02326"/></url>
<url><loc>https://scifaro.com/en/abs/an-exact-factorization-perspective-on-quantum-interferences-in-nonadiabatic-dynamics-1604.02351</loc><lastmod>2016-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-exact-factorization-perspective-on-quantum-interferences-in-nonadiabatic-dynamics-1604.02351"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-exact-factorization-perspective-on-quantum-interferences-in-nonadiabatic-dynamics-1604.02351"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-matrix-elements-by-fmo-lcmo-approach-hole-transfer-in-dna-with-parameter-tuned-range-separated-dft-1604.03242</loc><lastmod>2016-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-matrix-elements-by-fmo-lcmo-approach-hole-transfer-in-dna-with-parameter-tuned-range-separated-dft-1604.03242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-matrix-elements-by-fmo-lcmo-approach-hole-transfer-in-dna-with-parameter-tuned-range-separated-dft-1604.03242"/></url>
<url><loc>https://scifaro.com/en/abs/study-of-the-terahertz-spectra-of-crystalline-materials-using-nddo-semi-empirical-methods-polyethylene-poly-vinylidene-fluoride-form-ii-and-alpha-d-glucose-1604.03919</loc><lastmod>2016-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-of-the-terahertz-spectra-of-crystalline-materials-using-nddo-semi-empirical-methods-polyethylene-poly-vinylidene-fluoride-form-ii-and-alpha-d-glucose-1604.03919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-of-the-terahertz-spectra-of-crystalline-materials-using-nddo-semi-empirical-methods-polyethylene-poly-vinylidene-fluoride-form-ii-and-alpha-d-glucose-1604.03919"/></url>
<url><loc>https://scifaro.com/en/abs/concentration-fluctuations-and-capacitive-response-in-dense-ionic-solutions-1604.03995</loc><lastmod>2016-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/concentration-fluctuations-and-capacitive-response-in-dense-ionic-solutions-1604.03995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/concentration-fluctuations-and-capacitive-response-in-dense-ionic-solutions-1604.03995"/></url>
<url><loc>https://scifaro.com/en/abs/fabricating-multifunctional-nanoparticle-membranes-by-a-fast-layer-by-layer-langmuir-blodgett-process-application-in-lithium-sulfur-batteries-1604.04241</loc><lastmod>2016-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fabricating-multifunctional-nanoparticle-membranes-by-a-fast-layer-by-layer-langmuir-blodgett-process-application-in-lithium-sulfur-batteries-1604.04241"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fabricating-multifunctional-nanoparticle-membranes-by-a-fast-layer-by-layer-langmuir-blodgett-process-application-in-lithium-sulfur-batteries-1604.04241"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-kekul-e-and-non-kekul-e-structures-in-the-radical-character-of-alternant-polycyclic-aromatic-hydrocarbons-a-tao-dft-study-1604.04296</loc><lastmod>2016-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-kekul-e-and-non-kekul-e-structures-in-the-radical-character-of-alternant-polycyclic-aromatic-hydrocarbons-a-tao-dft-study-1604.04296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-kekul-e-and-non-kekul-e-structures-in-the-radical-character-of-alternant-polycyclic-aromatic-hydrocarbons-a-tao-dft-study-1604.04296"/></url>
<url><loc>https://scifaro.com/en/abs/discovery-of-homogeneously-dispersed-pentacoordinated-al-v-species-on-the-surface-of-amorphous-silica-alumina-1604.04839</loc><lastmod>2016-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/discovery-of-homogeneously-dispersed-pentacoordinated-al-v-species-on-the-surface-of-amorphous-silica-alumina-1604.04839"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/discovery-of-homogeneously-dispersed-pentacoordinated-al-v-species-on-the-surface-of-amorphous-silica-alumina-1604.04839"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-potential-energy-surfaces-and-quantum-dynamics-of-rotational-inelastic-processes-in-the-h-collision-with-cs-1604.04875</loc><lastmod>2016-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-potential-energy-surfaces-and-quantum-dynamics-of-rotational-inelastic-processes-in-the-h-collision-with-cs-1604.04875"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-potential-energy-surfaces-and-quantum-dynamics-of-rotational-inelastic-processes-in-the-h-collision-with-cs-1604.04875"/></url>
<url><loc>https://scifaro.com/en/abs/the-adiabatic-limit-of-the-exact-factorization-of-the-electron-nuclear-wave-function-1604.05098</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-adiabatic-limit-of-the-exact-factorization-of-the-electron-nuclear-wave-function-1604.05098"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-adiabatic-limit-of-the-exact-factorization-of-the-electron-nuclear-wave-function-1604.05098"/></url>
<url><loc>https://scifaro.com/en/abs/geometry-supertransfer-and-optimality-in-the-light-harvesting-of-purple-bacteria-1604.05482</loc><lastmod>2016-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometry-supertransfer-and-optimality-in-the-light-harvesting-of-purple-bacteria-1604.05482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometry-supertransfer-and-optimality-in-the-light-harvesting-of-purple-bacteria-1604.05482"/></url>
<url><loc>https://scifaro.com/en/abs/direct-evaluation-of-overlap-integrals-between-slater-type-orbitals-1604.06054</loc><lastmod>2016-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-evaluation-of-overlap-integrals-between-slater-type-orbitals-1604.06054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-evaluation-of-overlap-integrals-between-slater-type-orbitals-1604.06054"/></url>
<url><loc>https://scifaro.com/en/abs/classifications-and-canonical-forms-of-tensor-product-expressions-in-the-presence-of-permutation-symmetries-1604.06156</loc><lastmod>2018-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classifications-and-canonical-forms-of-tensor-product-expressions-in-the-presence-of-permutation-symmetries-1604.06156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classifications-and-canonical-forms-of-tensor-product-expressions-in-the-presence-of-permutation-symmetries-1604.06156"/></url>
<url><loc>https://scifaro.com/en/abs/dielectric-matrix-formulation-of-correlation-energies-in-the-random-phase-approximation-rpa-inclusion-of-exchange-effects-1604.06549</loc><lastmod>2016-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dielectric-matrix-formulation-of-correlation-energies-in-the-random-phase-approximation-rpa-inclusion-of-exchange-effects-1604.06549"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dielectric-matrix-formulation-of-correlation-energies-in-the-random-phase-approximation-rpa-inclusion-of-exchange-effects-1604.06549"/></url>
<url><loc>https://scifaro.com/en/abs/direct-base-to-base-transitions-in-ssdna-revealed-by-tip-enhanced-raman-scattering-1604.06598</loc><lastmod>2016-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-base-to-base-transitions-in-ssdna-revealed-by-tip-enhanced-raman-scattering-1604.06598"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-base-to-base-transitions-in-ssdna-revealed-by-tip-enhanced-raman-scattering-1604.06598"/></url>
<url><loc>https://scifaro.com/en/abs/direct-measurements-of-quantum-kinetic-energy-tensor-in-stable-and-metastable-water-near-the-triple-point-an-experimental-benchmark-1604.06624</loc><lastmod>2016-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-measurements-of-quantum-kinetic-energy-tensor-in-stable-and-metastable-water-near-the-triple-point-an-experimental-benchmark-1604.06624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-measurements-of-quantum-kinetic-energy-tensor-in-stable-and-metastable-water-near-the-triple-point-an-experimental-benchmark-1604.06624"/></url>
<url><loc>https://scifaro.com/en/abs/the-origin-of-unequal-bond-lengths-in-the-mathrm-tilde-c-1-b-2-state-of-so-2-signatures-of-high-lying-potential-energy-surface-crossings-in-the-low-lying-vibrational-structure-1604.06649</loc><lastmod>2016-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-origin-of-unequal-bond-lengths-in-the-mathrm-tilde-c-1-b-2-state-of-so-2-signatures-of-high-lying-potential-energy-surface-crossings-in-the-low-lying-vibrational-structure-1604.06649"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-origin-of-unequal-bond-lengths-in-the-mathrm-tilde-c-1-b-2-state-of-so-2-signatures-of-high-lying-potential-energy-surface-crossings-in-the-low-lying-vibrational-structure-1604.06649"/></url>
<url><loc>https://scifaro.com/en/abs/the-rotation-vibration-structure-of-the-so-2-mathrm-tilde-c-1-mathrm-b-2-state-explained-by-a-new-internal-coordinate-force-field-1604.06759</loc><lastmod>2016-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-rotation-vibration-structure-of-the-so-2-mathrm-tilde-c-1-mathrm-b-2-state-explained-by-a-new-internal-coordinate-force-field-1604.06759"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-rotation-vibration-structure-of-the-so-2-mathrm-tilde-c-1-mathrm-b-2-state-explained-by-a-new-internal-coordinate-force-field-1604.06759"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-b-2-symmetry-vibrational-levels-of-the-so-2-tilde-mbox-c-1-b-2-state-vibrational-level-staggering-coriolis-interactions-and-rotation-vibration-constants-1604.06817</loc><lastmod>2016-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-b-2-symmetry-vibrational-levels-of-the-so-2-tilde-mbox-c-1-b-2-state-vibrational-level-staggering-coriolis-interactions-and-rotation-vibration-constants-1604.06817"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-b-2-symmetry-vibrational-levels-of-the-so-2-tilde-mbox-c-1-b-2-state-vibrational-level-staggering-coriolis-interactions-and-rotation-vibration-constants-1604.06817"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-chemical-approximation-for-polyatomic-mixtures-1604.06827</loc><lastmod>2016-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-chemical-approximation-for-polyatomic-mixtures-1604.06827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-chemical-approximation-for-polyatomic-mixtures-1604.06827"/></url>
<url><loc>https://scifaro.com/en/abs/relative-distribution-of-water-clusters-at-temperature-300-3000k-and-pressure-1-500mpa-1604.06854</loc><lastmod>2016-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relative-distribution-of-water-clusters-at-temperature-300-3000k-and-pressure-1-500mpa-1604.06854"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relative-distribution-of-water-clusters-at-temperature-300-3000k-and-pressure-1-500mpa-1604.06854"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-analyses-of-hydrophobic-interactions-a-mini-review-1604.06955</loc><lastmod>2016-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-analyses-of-hydrophobic-interactions-a-mini-review-1604.06955"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-analyses-of-hydrophobic-interactions-a-mini-review-1604.06955"/></url>
<url><loc>https://scifaro.com/en/abs/handshake-electron-transfer-from-hydrogen-rydberg-atoms-incident-at-a-series-of-metallic-thin-films-1604.07068</loc><lastmod>2016-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/handshake-electron-transfer-from-hydrogen-rydberg-atoms-incident-at-a-series-of-metallic-thin-films-1604.07068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/handshake-electron-transfer-from-hydrogen-rydberg-atoms-incident-at-a-series-of-metallic-thin-films-1604.07068"/></url>
<url><loc>https://scifaro.com/en/abs/fully-quantum-non-adiabatic-dynamics-in-electronic-nuclear-coherent-state-basis-1604.07185</loc><lastmod>2016-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fully-quantum-non-adiabatic-dynamics-in-electronic-nuclear-coherent-state-basis-1604.07185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fully-quantum-non-adiabatic-dynamics-in-electronic-nuclear-coherent-state-basis-1604.07185"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-investigation-of-adsorption-characteristics-of-bisphosphonates-on-hydroxyapatite-001-surface-1604.07489</loc><lastmod>2016-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-investigation-of-adsorption-characteristics-of-bisphosphonates-on-hydroxyapatite-001-surface-1604.07489"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-investigation-of-adsorption-characteristics-of-bisphosphonates-on-hydroxyapatite-001-surface-1604.07489"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-potential-calculations-in-dense-liquids-using-metadynamics-1604.07565</loc><lastmod>2016-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-potential-calculations-in-dense-liquids-using-metadynamics-1604.07565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-potential-calculations-in-dense-liquids-using-metadynamics-1604.07565"/></url>
<url><loc>https://scifaro.com/en/abs/direct-observation-of-molecular-oxygen-production-from-carbon-dioxide-1604.07582</loc><lastmod>2017-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-observation-of-molecular-oxygen-production-from-carbon-dioxide-1604.07582"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-observation-of-molecular-oxygen-production-from-carbon-dioxide-1604.07582"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-structure-and-reversible-photodegradation-in-anthraquinone-dyes-1604.07645</loc><lastmod>2016-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-structure-and-reversible-photodegradation-in-anthraquinone-dyes-1604.07645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-structure-and-reversible-photodegradation-in-anthraquinone-dyes-1604.07645"/></url>
<url><loc>https://scifaro.com/en/abs/voltammetric-determination-of-paraquat-using-graphite-pencil-electrode-modified-with-doped-polypyrrole-1604.07853</loc><lastmod>2016-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/voltammetric-determination-of-paraquat-using-graphite-pencil-electrode-modified-with-doped-polypyrrole-1604.07853"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/voltammetric-determination-of-paraquat-using-graphite-pencil-electrode-modified-with-doped-polypyrrole-1604.07853"/></url>
<url><loc>https://scifaro.com/en/abs/growth-and-dissolution-of-macromolecular-markov-chains-1604.08011</loc><lastmod>2018-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/growth-and-dissolution-of-macromolecular-markov-chains-1604.08011"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/growth-and-dissolution-of-macromolecular-markov-chains-1604.08011"/></url>
<url><loc>https://scifaro.com/en/abs/isobaric-heat-capacity-isothermal-compressibility-and-fluctuational-properties-of-1-bromoalkanes-1604.08021</loc><lastmod>2016-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isobaric-heat-capacity-isothermal-compressibility-and-fluctuational-properties-of-1-bromoalkanes-1604.08021"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isobaric-heat-capacity-isothermal-compressibility-and-fluctuational-properties-of-1-bromoalkanes-1604.08021"/></url>
<url><loc>https://scifaro.com/en/abs/the-dynamic-adsorption-of-xe-on-a-fixed-bed-adsorber-at-77-k-1604.08128</loc><lastmod>2016-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-dynamic-adsorption-of-xe-on-a-fixed-bed-adsorber-at-77-k-1604.08128"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-dynamic-adsorption-of-xe-on-a-fixed-bed-adsorber-at-77-k-1604.08128"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-mechanisms-of-synthesis-of-3-4-epoxybutyric-acid-from-3-hydroxy-gamma-butyrolactone-by-density-functional-theory-1604.08311</loc><lastmod>2016-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-mechanisms-of-synthesis-of-3-4-epoxybutyric-acid-from-3-hydroxy-gamma-butyrolactone-by-density-functional-theory-1604.08311"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-mechanisms-of-synthesis-of-3-4-epoxybutyric-acid-from-3-hydroxy-gamma-butyrolactone-by-density-functional-theory-1604.08311"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-fick-jacobs-approach-for-describing-adsorption-desorption-kinetics-in-irregular-pores-under-non-equilibrium-conditions-1604.08549</loc><lastmod>2016-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-fick-jacobs-approach-for-describing-adsorption-desorption-kinetics-in-irregular-pores-under-non-equilibrium-conditions-1604.08549"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-fick-jacobs-approach-for-describing-adsorption-desorption-kinetics-in-irregular-pores-under-non-equilibrium-conditions-1604.08549"/></url>
<url><loc>https://scifaro.com/en/abs/fluctuations-in-reactive-networks-subject-to-extrinsic-noise-studied-in-the-framework-of-the-chemical-langevin-equation-1604.08749</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fluctuations-in-reactive-networks-subject-to-extrinsic-noise-studied-in-the-framework-of-the-chemical-langevin-equation-1604.08749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fluctuations-in-reactive-networks-subject-to-extrinsic-noise-studied-in-the-framework-of-the-chemical-langevin-equation-1604.08749"/></url>
<url><loc>https://scifaro.com/en/abs/importance-of-rotationally-inelastic-processes-in-low-energy-penning-ionization-of-chf-3-1604.08778</loc><lastmod>2016-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/importance-of-rotationally-inelastic-processes-in-low-energy-penning-ionization-of-chf-3-1604.08778"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/importance-of-rotationally-inelastic-processes-in-low-energy-penning-ionization-of-chf-3-1604.08778"/></url>
<url><loc>https://scifaro.com/en/abs/first-observation-of-electron-transfer-mediated-decay-in-aqueous-solutions-a-novel-probe-of-ion-pairing-1604.08892</loc><lastmod>2016-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-observation-of-electron-transfer-mediated-decay-in-aqueous-solutions-a-novel-probe-of-ion-pairing-1604.08892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-observation-of-electron-transfer-mediated-decay-in-aqueous-solutions-a-novel-probe-of-ion-pairing-1604.08892"/></url>
<url><loc>https://scifaro.com/en/abs/algebraic-theory-of-endohedrally-confined-diatomic-molecules-application-to-h-2-c-60-1605.00145</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/algebraic-theory-of-endohedrally-confined-diatomic-molecules-application-to-h-2-c-60-1605.00145"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/algebraic-theory-of-endohedrally-confined-diatomic-molecules-application-to-h-2-c-60-1605.00145"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-electron-attachment-to-the-nitroamine-hmx-octahydro-1-3-5-7-tetranitro-1-3-5-7-tetrazocine-1605.00374</loc><lastmod>2016-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-the-nitroamine-hmx-octahydro-1-3-5-7-tetranitro-1-3-5-7-tetrazocine-1605.00374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-electron-attachment-to-the-nitroamine-hmx-octahydro-1-3-5-7-tetranitro-1-3-5-7-tetrazocine-1605.00374"/></url>
<url><loc>https://scifaro.com/en/abs/from-reaction-diffusion-systems-to-confined-brownian-motion-1605.00485</loc><lastmod>2016-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-reaction-diffusion-systems-to-confined-brownian-motion-1605.00485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-reaction-diffusion-systems-to-confined-brownian-motion-1605.00485"/></url>
<url><loc>https://scifaro.com/en/abs/partial-oxidation-of-step-bound-water-leads-to-anomalous-ph-effects-on-metal-electrode-step-edges-1605.00550</loc><lastmod>2016-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/partial-oxidation-of-step-bound-water-leads-to-anomalous-ph-effects-on-metal-electrode-step-edges-1605.00550"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/partial-oxidation-of-step-bound-water-leads-to-anomalous-ph-effects-on-metal-electrode-step-edges-1605.00550"/></url>
<url><loc>https://scifaro.com/en/abs/a-computational-scheme-to-evaluate-hamaker-constants-of-molecules-with-practical-size-and-anisotropy-1605.00580</loc><lastmod>2017-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-computational-scheme-to-evaluate-hamaker-constants-of-molecules-with-practical-size-and-anisotropy-1605.00580"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-computational-scheme-to-evaluate-hamaker-constants-of-molecules-with-practical-size-and-anisotropy-1605.00580"/></url>
<url><loc>https://scifaro.com/en/abs/deriving-the-exact-nonadiabatic-quantum-propagator-in-the-mapping-variable-representation-1605.00608</loc><lastmod>2017-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deriving-the-exact-nonadiabatic-quantum-propagator-in-the-mapping-variable-representation-1605.00608"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deriving-the-exact-nonadiabatic-quantum-propagator-in-the-mapping-variable-representation-1605.00608"/></url>
<url><loc>https://scifaro.com/en/abs/gradient-bundle-analysis-a-full-topological-approach-to-chemical-bonding-1605.00614</loc><lastmod>2016-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gradient-bundle-analysis-a-full-topological-approach-to-chemical-bonding-1605.00614"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gradient-bundle-analysis-a-full-topological-approach-to-chemical-bonding-1605.00614"/></url>
<url><loc>https://scifaro.com/en/abs/polylactic-acid-nanocrystalline-carbonated-hydroxyapatite-pla-chap-composite-preparation-and-surface-topographical-structuring-with-direct-laser-writing-dlw-1605.00777</loc><lastmod>2016-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polylactic-acid-nanocrystalline-carbonated-hydroxyapatite-pla-chap-composite-preparation-and-surface-topographical-structuring-with-direct-laser-writing-dlw-1605.00777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polylactic-acid-nanocrystalline-carbonated-hydroxyapatite-pla-chap-composite-preparation-and-surface-topographical-structuring-with-direct-laser-writing-dlw-1605.00777"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-the-static-and-dynamical-correlation-energy-of-pseudo-one-dimensional-beryllium-systems-via-a-many-body-expansion-1605.00851</loc><lastmod>2016-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-the-static-and-dynamical-correlation-energy-of-pseudo-one-dimensional-beryllium-systems-via-a-many-body-expansion-1605.00851"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-the-static-and-dynamical-correlation-energy-of-pseudo-one-dimensional-beryllium-systems-via-a-many-body-expansion-1605.00851"/></url>
<url><loc>https://scifaro.com/en/abs/lambda-type-sharp-rise-in-the-widths-of-raman-and-infra-red-line-shape-near-the-widom-line-in-super-critical-water-above-its-gas-liquid-critical-temperature-1605.01049</loc><lastmod>2016-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lambda-type-sharp-rise-in-the-widths-of-raman-and-infra-red-line-shape-near-the-widom-line-in-super-critical-water-above-its-gas-liquid-critical-temperature-1605.01049"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lambda-type-sharp-rise-in-the-widths-of-raman-and-infra-red-line-shape-near-the-widom-line-in-super-critical-water-above-its-gas-liquid-critical-temperature-1605.01049"/></url>
<url><loc>https://scifaro.com/en/abs/spin-polarization-in-scc-dftb-1605.01360</loc><lastmod>2016-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-polarization-in-scc-dftb-1605.01360"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-polarization-in-scc-dftb-1605.01360"/></url>
<url><loc>https://scifaro.com/en/abs/a-diabatic-definition-of-geometric-phase-effects-1605.01487</loc><lastmod>2016-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-diabatic-definition-of-geometric-phase-effects-1605.01487"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-diabatic-definition-of-geometric-phase-effects-1605.01487"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-integrator-for-simulations-in-the-canonical-ensemble-1605.01654</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-integrator-for-simulations-in-the-canonical-ensemble-1605.01654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-integrator-for-simulations-in-the-canonical-ensemble-1605.01654"/></url>
<url><loc>https://scifaro.com/en/abs/linear-scaling-generation-of-potential-energy-surfaces-using-a-double-incremental-expansion-1605.01674</loc><lastmod>2016-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-scaling-generation-of-potential-energy-surfaces-using-a-double-incremental-expansion-1605.01674"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-scaling-generation-of-potential-energy-surfaces-using-a-double-incremental-expansion-1605.01674"/></url>
<url><loc>https://scifaro.com/en/abs/the-it-ab-initio-calculation-of-spectra-of-open-shell-diatomic-molecules-1605.02301</loc><lastmod>2016-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-it-ab-initio-calculation-of-spectra-of-open-shell-diatomic-molecules-1605.02301"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-it-ab-initio-calculation-of-spectra-of-open-shell-diatomic-molecules-1605.02301"/></url>
<url><loc>https://scifaro.com/en/abs/a-near-infrared-line-list-for-nh-analysis-of-a-kitt-peak-spectrum-after-35-years-1605.02511</loc><lastmod>2016-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-near-infrared-line-list-for-nh-analysis-of-a-kitt-peak-spectrum-after-35-years-1605.02511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-near-infrared-line-list-for-nh-analysis-of-a-kitt-peak-spectrum-after-35-years-1605.02511"/></url>
<url><loc>https://scifaro.com/en/abs/matrix-product-operators-matrix-product-states-and-ab-initio-density-matrix-renormalization-group-algorithms-1605.02611</loc><lastmod>2016-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/matrix-product-operators-matrix-product-states-and-ab-initio-density-matrix-renormalization-group-algorithms-1605.02611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/matrix-product-operators-matrix-product-states-and-ab-initio-density-matrix-renormalization-group-algorithms-1605.02611"/></url>
<url><loc>https://scifaro.com/en/abs/the-polarizable-embedding-density-matrix-renormalization-group-method-1605.03232</loc><lastmod>2017-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-polarizable-embedding-density-matrix-renormalization-group-method-1605.03232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-polarizable-embedding-density-matrix-renormalization-group-method-1605.03232"/></url>
<url><loc>https://scifaro.com/en/abs/possible-magnetism-based-on-orbital-motion-of-protons-in-ice-1605.03383</loc><lastmod>2016-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/possible-magnetism-based-on-orbital-motion-of-protons-in-ice-1605.03383"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/possible-magnetism-based-on-orbital-motion-of-protons-in-ice-1605.03383"/></url>
<url><loc>https://scifaro.com/en/abs/toward-a-w4-f12-approach-can-explicitly-correlated-and-orbital-based-ab-initio-ccsd-t-limits-be-reconciled-1605.03398</loc><lastmod>2016-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-a-w4-f12-approach-can-explicitly-correlated-and-orbital-based-ab-initio-ccsd-t-limits-be-reconciled-1605.03398"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-a-w4-f12-approach-can-explicitly-correlated-and-orbital-based-ab-initio-ccsd-t-limits-be-reconciled-1605.03398"/></url>
<url><loc>https://scifaro.com/en/abs/the-chemistry-induced-by-mechanical-load-1605.03441</loc><lastmod>2016-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-chemistry-induced-by-mechanical-load-1605.03441"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-chemistry-induced-by-mechanical-load-1605.03441"/></url>
<url><loc>https://scifaro.com/en/abs/towards-a-fully-size-consistent-method-of-increments-1605.03904</loc><lastmod>2016-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-a-fully-size-consistent-method-of-increments-1605.03904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-a-fully-size-consistent-method-of-increments-1605.03904"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-mass-of-atoms-in-molecules-beyond-the-born-oppenheimer-approximation-1605.04211</loc><lastmod>2017-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-mass-of-atoms-in-molecules-beyond-the-born-oppenheimer-approximation-1605.04211"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-mass-of-atoms-in-molecules-beyond-the-born-oppenheimer-approximation-1605.04211"/></url>
<url><loc>https://scifaro.com/en/abs/identification-and-analysis-of-transition-and-metastable-markov-states-1605.04328</loc><lastmod>2017-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-and-analysis-of-transition-and-metastable-markov-states-1605.04328"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-and-analysis-of-transition-and-metastable-markov-states-1605.04328"/></url>
<url><loc>https://scifaro.com/en/abs/evaluating-the-gw-approximation-with-ccsd-t-for-charged-excitations-across-the-oligoacenes-1605.04895</loc><lastmod>2016-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaluating-the-gw-approximation-with-ccsd-t-for-charged-excitations-across-the-oligoacenes-1605.04895"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaluating-the-gw-approximation-with-ccsd-t-for-charged-excitations-across-the-oligoacenes-1605.04895"/></url>
<url><loc>https://scifaro.com/en/abs/calibration-of-the-many-body-dispersion-range-separation-parameter-1605.04987</loc><lastmod>2016-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calibration-of-the-many-body-dispersion-range-separation-parameter-1605.04987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calibration-of-the-many-body-dispersion-range-separation-parameter-1605.04987"/></url>
<url><loc>https://scifaro.com/en/abs/programmable-potentials-approximate-n-body-potentials-from-coarse-level-logic-1605.05348</loc><lastmod>2016-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/programmable-potentials-approximate-n-body-potentials-from-coarse-level-logic-1605.05348"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/programmable-potentials-approximate-n-body-potentials-from-coarse-level-logic-1605.05348"/></url>
<url><loc>https://scifaro.com/en/abs/dmrg-caspt2-study-of-the-longitudinal-static-second-hyperpolarizability-of-all-trans-polyenes-1605.05526</loc><lastmod>2016-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dmrg-caspt2-study-of-the-longitudinal-static-second-hyperpolarizability-of-all-trans-polyenes-1605.05526"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dmrg-caspt2-study-of-the-longitudinal-static-second-hyperpolarizability-of-all-trans-polyenes-1605.05526"/></url>
<url><loc>https://scifaro.com/en/abs/convergence-of-many-body-wavefunction-expansions-using-a-plane-wave-basis-in-the-thermodynamic-limit-1605.05699</loc><lastmod>2016-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/convergence-of-many-body-wavefunction-expansions-using-a-plane-wave-basis-in-the-thermodynamic-limit-1605.05699"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/convergence-of-many-body-wavefunction-expansions-using-a-plane-wave-basis-in-the-thermodynamic-limit-1605.05699"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-isomerization-in-acetylene-dication-to-be-or-not-to-be-1605.05707</loc><lastmod>2017-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-isomerization-in-acetylene-dication-to-be-or-not-to-be-1605.05707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-isomerization-in-acetylene-dication-to-be-or-not-to-be-1605.05707"/></url>
<url><loc>https://scifaro.com/en/abs/studies-of-spuriously-shifting-resonances-in-time-dependent-density-functional-theory-1605.05800</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/studies-of-spuriously-shifting-resonances-in-time-dependent-density-functional-theory-1605.05800"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/studies-of-spuriously-shifting-resonances-in-time-dependent-density-functional-theory-1605.05800"/></url>
<url><loc>https://scifaro.com/en/abs/magnetoelectroluminescence-in-organic-light-emitting-diodes-1605.05948</loc><lastmod>2016-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetoelectroluminescence-in-organic-light-emitting-diodes-1605.05948"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetoelectroluminescence-in-organic-light-emitting-diodes-1605.05948"/></url>
<url><loc>https://scifaro.com/en/abs/how-can-the-green-sulfur-bacteria-use-quantum-computing-for-light-harvesting-1605.06149</loc><lastmod>2016-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-can-the-green-sulfur-bacteria-use-quantum-computing-for-light-harvesting-1605.06149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-can-the-green-sulfur-bacteria-use-quantum-computing-for-light-harvesting-1605.06149"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-tunneling-of-thermal-protons-through-pristine-graphene-1605.06341</loc><lastmod>2017-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-tunneling-of-thermal-protons-through-pristine-graphene-1605.06341"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-tunneling-of-thermal-protons-through-pristine-graphene-1605.06341"/></url>
<url><loc>https://scifaro.com/en/abs/high-efficiency-diphenylsulfon-derivatives-based-organic-light-emitting-diode-exhibiting-thermally-activated-delayed-fluorescence-1605.06496</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-efficiency-diphenylsulfon-derivatives-based-organic-light-emitting-diode-exhibiting-thermally-activated-delayed-fluorescence-1605.06496"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-efficiency-diphenylsulfon-derivatives-based-organic-light-emitting-diode-exhibiting-thermally-activated-delayed-fluorescence-1605.06496"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-asymmetric-a-pi-d-pi-d-pi-a-tribranched-organic-sensitizer-for-dye-sensitized-solar-cells-1605.06497</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-asymmetric-a-pi-d-pi-d-pi-a-tribranched-organic-sensitizer-for-dye-sensitized-solar-cells-1605.06497"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-asymmetric-a-pi-d-pi-d-pi-a-tribranched-organic-sensitizer-for-dye-sensitized-solar-cells-1605.06497"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-connections-between-statistical-mechanics-and-green-s-functions-for-realistic-systems-temperature-dependent-electronic-entropy-and-internal-energy-from-a-self-consistent-second-order-green-s-function-1605.06563</loc><lastmod>2016-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-connections-between-statistical-mechanics-and-green-s-functions-for-realistic-systems-temperature-dependent-electronic-entropy-and-internal-energy-from-a-self-consistent-second-order-green-s-function-1605.06563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-connections-between-statistical-mechanics-and-green-s-functions-for-realistic-systems-temperature-dependent-electronic-entropy-and-internal-energy-from-a-self-consistent-second-order-green-s-function-1605.06563"/></url>
<url><loc>https://scifaro.com/en/abs/exceptionally-strong-correlation-driven-charge-migration-and-attosecond-transient-absorption-spectroscopy-1605.06762</loc><lastmod>2016-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exceptionally-strong-correlation-driven-charge-migration-and-attosecond-transient-absorption-spectroscopy-1605.06762"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exceptionally-strong-correlation-driven-charge-migration-and-attosecond-transient-absorption-spectroscopy-1605.06762"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-motion-is-classical-1605.06954</loc><lastmod>2016-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-motion-is-classical-1605.06954"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-motion-is-classical-1605.06954"/></url>
<url><loc>https://scifaro.com/en/abs/the-delicate-balance-of-static-and-dynamic-electron-correlation-1605.07020</loc><lastmod>2016-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-delicate-balance-of-static-and-dynamic-electron-correlation-1605.07020"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-delicate-balance-of-static-and-dynamic-electron-correlation-1605.07020"/></url>
<url><loc>https://scifaro.com/en/abs/fe2o3-co3o4-composite-nanoparticle-ethanol-sensor-1605.07169</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fe2o3-co3o4-composite-nanoparticle-ethanol-sensor-1605.07169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fe2o3-co3o4-composite-nanoparticle-ethanol-sensor-1605.07169"/></url>
<url><loc>https://scifaro.com/en/abs/crystal-growth-of-new-charge-transfer-salts-based-on-pi-conjugated-molecules-1605.07482</loc><lastmod>2016-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crystal-growth-of-new-charge-transfer-salts-based-on-pi-conjugated-molecules-1605.07482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crystal-growth-of-new-charge-transfer-salts-based-on-pi-conjugated-molecules-1605.07482"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-broken-local-density-approximation-for-one-dimensional-systems-1605.07602</loc><lastmod>2017-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-broken-local-density-approximation-for-one-dimensional-systems-1605.07602"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-broken-local-density-approximation-for-one-dimensional-systems-1605.07602"/></url>
<url><loc>https://scifaro.com/en/abs/visualizing-the-large-z-scaling-of-the-kinetic-energy-density-of-atoms-1605.07751</loc><lastmod>2018-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visualizing-the-large-z-scaling-of-the-kinetic-energy-density-of-atoms-1605.07751"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visualizing-the-large-z-scaling-of-the-kinetic-energy-density-of-atoms-1605.07751"/></url>
<url><loc>https://scifaro.com/en/abs/rapid-yet-accurate-first-principle-based-predictions-of-alkali-halide-crystal-phases-using-alchemical-perturbation-1605.08080</loc><lastmod>2016-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rapid-yet-accurate-first-principle-based-predictions-of-alkali-halide-crystal-phases-using-alchemical-perturbation-1605.08080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rapid-yet-accurate-first-principle-based-predictions-of-alkali-halide-crystal-phases-using-alchemical-perturbation-1605.08080"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-two-dimensional-spectroscopy-of-a-fano-model-1605.08572</loc><lastmod>2017-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-two-dimensional-spectroscopy-of-a-fano-model-1605.08572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-two-dimensional-spectroscopy-of-a-fano-model-1605.08572"/></url>
<url><loc>https://scifaro.com/en/abs/boosting-the-accuracy-and-speed-of-quantum-monte-carlo-size-consistency-and-time-step-1605.08706</loc><lastmod>2016-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/boosting-the-accuracy-and-speed-of-quantum-monte-carlo-size-consistency-and-time-step-1605.08706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/boosting-the-accuracy-and-speed-of-quantum-monte-carlo-size-consistency-and-time-step-1605.08706"/></url>
<url><loc>https://scifaro.com/en/abs/thermometry-of-guided-molecular-beams-from-a-cryogenic-buffer-gas-cell-1605.08723</loc><lastmod>2018-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermometry-of-guided-molecular-beams-from-a-cryogenic-buffer-gas-cell-1605.08723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermometry-of-guided-molecular-beams-from-a-cryogenic-buffer-gas-cell-1605.08723"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dissociation-in-presence-of-a-catalyst-ii-the-bond-breaking-role-of-the-transition-from-virtual-to-localized-states-1605.08775</loc><lastmod>2016-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dissociation-in-presence-of-a-catalyst-ii-the-bond-breaking-role-of-the-transition-from-virtual-to-localized-states-1605.08775"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dissociation-in-presence-of-a-catalyst-ii-the-bond-breaking-role-of-the-transition-from-virtual-to-localized-states-1605.08775"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-rates-and-kinetic-isotope-effects-of-h-2-oh-rightarrow-h-2-o-h-1605.08776</loc><lastmod>2016-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-rates-and-kinetic-isotope-effects-of-h-2-oh-rightarrow-h-2-o-h-1605.08776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-rates-and-kinetic-isotope-effects-of-h-2-oh-rightarrow-h-2-o-h-1605.08776"/></url>
<url><loc>https://scifaro.com/en/abs/fast-simulation-of-brownian-dynamics-in-a-crowded-environment-1605.08866</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-simulation-of-brownian-dynamics-in-a-crowded-environment-1605.08866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-simulation-of-brownian-dynamics-in-a-crowded-environment-1605.08866"/></url>
<url><loc>https://scifaro.com/en/abs/liquid-liquid-transition-in-supercooled-aqueous-solution-involving-a-low-temperature-phase-similar-to-low-density-amorphous-water-1605.08985</loc><lastmod>2016-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/liquid-liquid-transition-in-supercooled-aqueous-solution-involving-a-low-temperature-phase-similar-to-low-density-amorphous-water-1605.08985"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/liquid-liquid-transition-in-supercooled-aqueous-solution-involving-a-low-temperature-phase-similar-to-low-density-amorphous-water-1605.08985"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-charge-redistribution-in-small-iodine-containing-molecules-1605.09317</loc><lastmod>2016-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-charge-redistribution-in-small-iodine-containing-molecules-1605.09317"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-charge-redistribution-in-small-iodine-containing-molecules-1605.09317"/></url>
<url><loc>https://scifaro.com/en/abs/variation-after-response-in-quantum-monte-carlo-1605.09438</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variation-after-response-in-quantum-monte-carlo-1605.09438"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variation-after-response-in-quantum-monte-carlo-1605.09438"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-polyethylene-surface-functionalization-by-an-atmospheric-he-o-2-plasma-through-combined-experiments-and-simulation-1605.09724</loc><lastmod>2016-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-polyethylene-surface-functionalization-by-an-atmospheric-he-o-2-plasma-through-combined-experiments-and-simulation-1605.09724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-polyethylene-surface-functionalization-by-an-atmospheric-he-o-2-plasma-through-combined-experiments-and-simulation-1605.09724"/></url>
<url><loc>https://scifaro.com/en/abs/competitive-and-synergistic-effects-between-excimer-vuv-radiation-and-o-radicals-on-the-etching-mechanisms-of-polyethylene-and-fluoropolymer-surfaces-treated-by-atmospheric-he-o-2-post-discharge-1605.09725</loc><lastmod>2016-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/competitive-and-synergistic-effects-between-excimer-vuv-radiation-and-o-radicals-on-the-etching-mechanisms-of-polyethylene-and-fluoropolymer-surfaces-treated-by-atmospheric-he-o-2-post-discharge-1605.09725"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/competitive-and-synergistic-effects-between-excimer-vuv-radiation-and-o-radicals-on-the-etching-mechanisms-of-polyethylene-and-fluoropolymer-surfaces-treated-by-atmospheric-he-o-2-post-discharge-1605.09725"/></url>
<url><loc>https://scifaro.com/en/abs/an-adaptive-interpolation-scheme-for-molecular-potential-energy-surfaces-1605.09751</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-adaptive-interpolation-scheme-for-molecular-potential-energy-surfaces-1605.09751"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-adaptive-interpolation-scheme-for-molecular-potential-energy-surfaces-1605.09751"/></url>
<url><loc>https://scifaro.com/en/abs/selective-gas-capture-via-kinetic-trapping-1606.00065</loc><lastmod>2016-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selective-gas-capture-via-kinetic-trapping-1606.00065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selective-gas-capture-via-kinetic-trapping-1606.00065"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-rotational-state-dependent-molecular-alignment-on-the-optical-dipole-force-1606.00516</loc><lastmod>2016-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-rotational-state-dependent-molecular-alignment-on-the-optical-dipole-force-1606.00516"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-rotational-state-dependent-molecular-alignment-on-the-optical-dipole-force-1606.00516"/></url>
<url><loc>https://scifaro.com/en/abs/steric-effects-of-co2-binding-to-transition-metal-benzene-complexes-a-first-principles-study-1606.00580</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steric-effects-of-co2-binding-to-transition-metal-benzene-complexes-a-first-principles-study-1606.00580"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steric-effects-of-co2-binding-to-transition-metal-benzene-complexes-a-first-principles-study-1606.00580"/></url>
<url><loc>https://scifaro.com/en/abs/high-order-path-integrals-made-easy-1606.00920</loc><lastmod>2017-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-order-path-integrals-made-easy-1606.00920"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-order-path-integrals-made-easy-1606.00920"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-energy-gradients-for-internally-contracted-complete-active-space-second-order-perturbation-theory-multistate-extensions-1606.01273</loc><lastmod>2017-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-energy-gradients-for-internally-contracted-complete-active-space-second-order-perturbation-theory-multistate-extensions-1606.01273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-energy-gradients-for-internally-contracted-complete-active-space-second-order-perturbation-theory-multistate-extensions-1606.01273"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-control-of-asymmetric-molecules-dipole-vs-polarizability-driven-rotational-dynamics-1606.01347</loc><lastmod>2016-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-control-of-asymmetric-molecules-dipole-vs-polarizability-driven-rotational-dynamics-1606.01347"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-control-of-asymmetric-molecules-dipole-vs-polarizability-driven-rotational-dynamics-1606.01347"/></url>
<url><loc>https://scifaro.com/en/abs/state-space-path-integrals-for-electronically-nonadiabatic-reaction-rates-1606.01394</loc><lastmod>2016-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-space-path-integrals-for-electronically-nonadiabatic-reaction-rates-1606.01394"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-space-path-integrals-for-electronically-nonadiabatic-reaction-rates-1606.01394"/></url>
<url><loc>https://scifaro.com/en/abs/a-nanostructured-surface-increases-friction-exponentially-at-the-solid-gas-interface-1606.01406</loc><lastmod>2016-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-nanostructured-surface-increases-friction-exponentially-at-the-solid-gas-interface-1606.01406"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-nanostructured-surface-increases-friction-exponentially-at-the-solid-gas-interface-1606.01406"/></url>
<url><loc>https://scifaro.com/en/abs/arrays-of-coupled-chemical-oscillators-1606.01556</loc><lastmod>2016-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/arrays-of-coupled-chemical-oscillators-1606.01556"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/arrays-of-coupled-chemical-oscillators-1606.01556"/></url>
<url><loc>https://scifaro.com/en/abs/the-electron-pair-density-distribution-of-the-1-3-pi-u-excited-states-of-h-2-1606.01821</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-electron-pair-density-distribution-of-the-1-3-pi-u-excited-states-of-h-2-1606.01821"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-electron-pair-density-distribution-of-the-1-3-pi-u-excited-states-of-h-2-1606.01821"/></url>
<url><loc>https://scifaro.com/en/abs/alternative-difference-analysis-scheme-combining-r-space-exafs-fit-with-global-optimization-xanes-fit-for-x-ray-transient-absorption-spectroscopy-1606.02392</loc><lastmod>2017-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alternative-difference-analysis-scheme-combining-r-space-exafs-fit-with-global-optimization-xanes-fit-for-x-ray-transient-absorption-spectroscopy-1606.02392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alternative-difference-analysis-scheme-combining-r-space-exafs-fit-with-global-optimization-xanes-fit-for-x-ray-transient-absorption-spectroscopy-1606.02392"/></url>
<url><loc>https://scifaro.com/en/abs/alkalized-borazine-a-simple-recipe-to-design-superalkali-species-1606.02533</loc><lastmod>2016-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alkalized-borazine-a-simple-recipe-to-design-superalkali-species-1606.02533"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alkalized-borazine-a-simple-recipe-to-design-superalkali-species-1606.02533"/></url>
<url><loc>https://scifaro.com/en/abs/multidk-a-multiple-descriptor-multiple-kernel-approach-for-molecular-discovery-and-its-application-to-the-discovery-of-organic-flow-battery-electrolytes-1606.02759</loc><lastmod>2016-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multidk-a-multiple-descriptor-multiple-kernel-approach-for-molecular-discovery-and-its-application-to-the-discovery-of-organic-flow-battery-electrolytes-1606.02759"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multidk-a-multiple-descriptor-multiple-kernel-approach-for-molecular-discovery-and-its-application-to-the-discovery-of-organic-flow-battery-electrolytes-1606.02759"/></url>
<url><loc>https://scifaro.com/en/abs/sharp-and-bright-photoluminescence-emission-of-single-crystalline-diacetylene-nanoparticles-1606.02796</loc><lastmod>2016-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sharp-and-bright-photoluminescence-emission-of-single-crystalline-diacetylene-nanoparticles-1606.02796"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sharp-and-bright-photoluminescence-emission-of-single-crystalline-diacetylene-nanoparticles-1606.02796"/></url>
<url><loc>https://scifaro.com/en/abs/fine-and-hyperfine-structure-effects-in-molecular-photoionization-i-general-theory-and-direct-photoionization-1606.02990</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fine-and-hyperfine-structure-effects-in-molecular-photoionization-i-general-theory-and-direct-photoionization-1606.02990"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fine-and-hyperfine-structure-effects-in-molecular-photoionization-i-general-theory-and-direct-photoionization-1606.02990"/></url>
<url><loc>https://scifaro.com/en/abs/fine-and-hyperfine-structure-effects-in-molecular-photoionization-ii-resonance-enhanced-multiphoton-ionization-and-hyperfine-selective-generation-of-molecular-cations-1606.03011</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fine-and-hyperfine-structure-effects-in-molecular-photoionization-ii-resonance-enhanced-multiphoton-ionization-and-hyperfine-selective-generation-of-molecular-cations-1606.03011"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fine-and-hyperfine-structure-effects-in-molecular-photoionization-ii-resonance-enhanced-multiphoton-ionization-and-hyperfine-selective-generation-of-molecular-cations-1606.03011"/></url>
<url><loc>https://scifaro.com/en/abs/velocity-map-imaging-the-scattering-plane-of-gas-surface-collisions-1606.03222</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/velocity-map-imaging-the-scattering-plane-of-gas-surface-collisions-1606.03222"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/velocity-map-imaging-the-scattering-plane-of-gas-surface-collisions-1606.03222"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-photoemission-spectroscopy-of-dna-and-rna-nucleobases-from-koopmans-compliant-functionals-1606.03227</loc><lastmod>2016-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-photoemission-spectroscopy-of-dna-and-rna-nucleobases-from-koopmans-compliant-functionals-1606.03227"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-photoemission-spectroscopy-of-dna-and-rna-nucleobases-from-koopmans-compliant-functionals-1606.03227"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-li-adsorption-on-the-electronic-and-hydrogen-storage-properties-of-acenes-a-dispersion-corrected-tao-dft-study-1606.03489</loc><lastmod>2016-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-li-adsorption-on-the-electronic-and-hydrogen-storage-properties-of-acenes-a-dispersion-corrected-tao-dft-study-1606.03489"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-li-adsorption-on-the-electronic-and-hydrogen-storage-properties-of-acenes-a-dispersion-corrected-tao-dft-study-1606.03489"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-molecular-quantum-dynamics-in-coordinate-and-phase-space-using-pruned-bases-1606.04004</loc><lastmod>2016-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-molecular-quantum-dynamics-in-coordinate-and-phase-space-using-pruned-bases-1606.04004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-molecular-quantum-dynamics-in-coordinate-and-phase-space-using-pruned-bases-1606.04004"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-hydrogen-bonding-on-infrared-absorption-intensity-1606.04323</loc><lastmod>2017-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-hydrogen-bonding-on-infrared-absorption-intensity-1606.04323"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-hydrogen-bonding-on-infrared-absorption-intensity-1606.04323"/></url>
<url><loc>https://scifaro.com/en/abs/a-combined-study-for-turning-co-2-and-h-2-o-into-value-added-products-in-a-dielectric-barrier-discharge-1606.04381</loc><lastmod>2016-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-combined-study-for-turning-co-2-and-h-2-o-into-value-added-products-in-a-dielectric-barrier-discharge-1606.04381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-combined-study-for-turning-co-2-and-h-2-o-into-value-added-products-in-a-dielectric-barrier-discharge-1606.04381"/></url>
<url><loc>https://scifaro.com/en/abs/direct-probe-of-anisotropy-in-atom-molecule-collisions-via-quantum-scattering-resonances-1606.04384</loc><lastmod>2019-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-probe-of-anisotropy-in-atom-molecule-collisions-via-quantum-scattering-resonances-1606.04384"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-probe-of-anisotropy-in-atom-molecule-collisions-via-quantum-scattering-resonances-1606.04384"/></url>
<url><loc>https://scifaro.com/en/abs/thermosensitive-cu2o-pnipam-core-shell-nanoreactors-with-tunable-photocatalytic-activity-1606.04534</loc><lastmod>2016-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermosensitive-cu2o-pnipam-core-shell-nanoreactors-with-tunable-photocatalytic-activity-1606.04534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermosensitive-cu2o-pnipam-core-shell-nanoreactors-with-tunable-photocatalytic-activity-1606.04534"/></url>
<url><loc>https://scifaro.com/en/abs/structure-and-dynamics-of-h-2-near-the-dissociation-threshold-a-combined-experimental-and-computational-investigation-1606.05322</loc><lastmod>2017-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-and-dynamics-of-h-2-near-the-dissociation-threshold-a-combined-experimental-and-computational-investigation-1606.05322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-and-dynamics-of-h-2-near-the-dissociation-threshold-a-combined-experimental-and-computational-investigation-1606.05322"/></url>
<url><loc>https://scifaro.com/en/abs/improved-sampling-and-validation-of-frozen-gaussian-approximation-with-surface-hopping-algorithm-for-nonadiabatic-dynamics-1606.05365</loc><lastmod>2016-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-sampling-and-validation-of-frozen-gaussian-approximation-with-surface-hopping-algorithm-for-nonadiabatic-dynamics-1606.05365"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-sampling-and-validation-of-frozen-gaussian-approximation-with-surface-hopping-algorithm-for-nonadiabatic-dynamics-1606.05365"/></url>
<url><loc>https://scifaro.com/en/abs/full-molecular-dynamics-simulations-of-liquid-water-and-carbon-tetrachloride-for-two-dimensional-raman-spectroscopy-in-the-frequency-domain-1606.05883</loc><lastmod>2016-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-molecular-dynamics-simulations-of-liquid-water-and-carbon-tetrachloride-for-two-dimensional-raman-spectroscopy-in-the-frequency-domain-1606.05883"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-molecular-dynamics-simulations-of-liquid-water-and-carbon-tetrachloride-for-two-dimensional-raman-spectroscopy-in-the-frequency-domain-1606.05883"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-method-with-single-and-double-excitations-tailored-by-matrix-product-state-wave-functions-1606.06002</loc><lastmod>2016-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-method-with-single-and-double-excitations-tailored-by-matrix-product-state-wave-functions-1606.06002"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-method-with-single-and-double-excitations-tailored-by-matrix-product-state-wave-functions-1606.06002"/></url>
<url><loc>https://scifaro.com/en/abs/a-rapid-compression-expansion-machine-rcem-for-studying-chemical-kinetics-experimental-principle-and-first-applications-1606.06095</loc><lastmod>2016-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-rapid-compression-expansion-machine-rcem-for-studying-chemical-kinetics-experimental-principle-and-first-applications-1606.06095"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-rapid-compression-expansion-machine-rcem-for-studying-chemical-kinetics-experimental-principle-and-first-applications-1606.06095"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-friction-near-metal-surfaces-a-case-where-molecule-metal-couplings-depend-on-nuclear-coordinates-1606.06110</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-friction-near-metal-surfaces-a-case-where-molecule-metal-couplings-depend-on-nuclear-coordinates-1606.06110"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-friction-near-metal-surfaces-a-case-where-molecule-metal-couplings-depend-on-nuclear-coordinates-1606.06110"/></url>
<url><loc>https://scifaro.com/en/abs/vibrationally-resolved-uv-vis-spectroscopy-with-time-dependent-density-functional-based-tight-binding-1606.06145</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrationally-resolved-uv-vis-spectroscopy-with-time-dependent-density-functional-based-tight-binding-1606.06145"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrationally-resolved-uv-vis-spectroscopy-with-time-dependent-density-functional-based-tight-binding-1606.06145"/></url>
<url><loc>https://scifaro.com/en/abs/predissociation-of-methyl-cyanoformate-the-hcn-and-hnc-channels-1606.06230</loc><lastmod>2017-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predissociation-of-methyl-cyanoformate-the-hcn-and-hnc-channels-1606.06230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predissociation-of-methyl-cyanoformate-the-hcn-and-hnc-channels-1606.06230"/></url>
<url><loc>https://scifaro.com/en/abs/necessary-n-representability-constraints-from-time-reversal-symmetry-for-periodic-systems-1606.06262</loc><lastmod>2016-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/necessary-n-representability-constraints-from-time-reversal-symmetry-for-periodic-systems-1606.06262"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/necessary-n-representability-constraints-from-time-reversal-symmetry-for-periodic-systems-1606.06262"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-non-adiabatic-quantum-dynamics-from-pseudospectral-sampling-of-time-dependent-gaussian-basis-sets-1606.06267</loc><lastmod>2016-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-non-adiabatic-quantum-dynamics-from-pseudospectral-sampling-of-time-dependent-gaussian-basis-sets-1606.06267"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-non-adiabatic-quantum-dynamics-from-pseudospectral-sampling-of-time-dependent-gaussian-basis-sets-1606.06267"/></url>
<url><loc>https://scifaro.com/en/abs/a-generalized-uhlenbeck-and-beth-formula-for-the-third-cluster-coefficient-1606.06393</loc><lastmod>2016-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-generalized-uhlenbeck-and-beth-formula-for-the-third-cluster-coefficient-1606.06393"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-generalized-uhlenbeck-and-beth-formula-for-the-third-cluster-coefficient-1606.06393"/></url>
<url><loc>https://scifaro.com/en/abs/laplace-transformed-atomic-orbital-based-m-o-ller-plesset-perturbation-theory-for-relativistic-two-component-hamiltonians-1606.06498</loc><lastmod>2017-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laplace-transformed-atomic-orbital-based-m-o-ller-plesset-perturbation-theory-for-relativistic-two-component-hamiltonians-1606.06498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laplace-transformed-atomic-orbital-based-m-o-ller-plesset-perturbation-theory-for-relativistic-two-component-hamiltonians-1606.06498"/></url>
<url><loc>https://scifaro.com/en/abs/predictive-coupled-cluster-isomer-orderings-for-some-si-n-c-m-m-n-le-12-clusters-a-pragmatic-comparison-between-dft-and-complete-basis-limit-coupled-cluster-benchmarks-1606.06713</loc><lastmod>2016-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predictive-coupled-cluster-isomer-orderings-for-some-si-n-c-m-m-n-le-12-clusters-a-pragmatic-comparison-between-dft-and-complete-basis-limit-coupled-cluster-benchmarks-1606.06713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predictive-coupled-cluster-isomer-orderings-for-some-si-n-c-m-m-n-le-12-clusters-a-pragmatic-comparison-between-dft-and-complete-basis-limit-coupled-cluster-benchmarks-1606.06713"/></url>
<url><loc>https://scifaro.com/en/abs/lattice-energies-of-molecular-solids-from-the-random-phase-approximation-with-singles-corrections-1606.06868</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lattice-energies-of-molecular-solids-from-the-random-phase-approximation-with-singles-corrections-1606.06868"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lattice-energies-of-molecular-solids-from-the-random-phase-approximation-with-singles-corrections-1606.06868"/></url>
<url><loc>https://scifaro.com/en/abs/channel-resolved-subcycle-interferences-of-electron-wave-packets-emitted-from-h-2-in-two-color-laser-fields-1606.06901</loc><lastmod>2016-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/channel-resolved-subcycle-interferences-of-electron-wave-packets-emitted-from-h-2-in-two-color-laser-fields-1606.06901"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/channel-resolved-subcycle-interferences-of-electron-wave-packets-emitted-from-h-2-in-two-color-laser-fields-1606.06901"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-fuel-research-octane-number-using-fourier-transform-infrared-absorption-spectra-of-neat-hydrocarbons-1606.07122</loc><lastmod>2016-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-fuel-research-octane-number-using-fourier-transform-infrared-absorption-spectra-of-neat-hydrocarbons-1606.07122"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-fuel-research-octane-number-using-fourier-transform-infrared-absorption-spectra-of-neat-hydrocarbons-1606.07122"/></url>
<url><loc>https://scifaro.com/en/abs/asymptotic-expansion-based-equation-of-state-for-hard-disk-fluids-offering-accurate-virial-coefficients-1606.07179</loc><lastmod>2016-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymptotic-expansion-based-equation-of-state-for-hard-disk-fluids-offering-accurate-virial-coefficients-1606.07179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymptotic-expansion-based-equation-of-state-for-hard-disk-fluids-offering-accurate-virial-coefficients-1606.07179"/></url>
<url><loc>https://scifaro.com/en/abs/new-virial-equation-of-state-for-hard-disk-fluids-1606.07180</loc><lastmod>2016-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-virial-equation-of-state-for-hard-disk-fluids-1606.07180"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-virial-equation-of-state-for-hard-disk-fluids-1606.07180"/></url>
<url><loc>https://scifaro.com/en/abs/new-closed-virial-equation-of-state-for-hard-sphere-fluids-1606.07181</loc><lastmod>2016-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-closed-virial-equation-of-state-for-hard-sphere-fluids-1606.07181"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-closed-virial-equation-of-state-for-hard-sphere-fluids-1606.07181"/></url>
<url><loc>https://scifaro.com/en/abs/equation-of-state-for-hard-sphere-fluids-offering-accurate-virial-coefficients-1606.07182</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equation-of-state-for-hard-sphere-fluids-offering-accurate-virial-coefficients-1606.07182"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equation-of-state-for-hard-sphere-fluids-offering-accurate-virial-coefficients-1606.07182"/></url>
<url><loc>https://scifaro.com/en/abs/heat-bath-configuration-interaction-an-efficient-selected-ci-algorithm-inspired-by-heat-bath-sampling-1606.07453</loc><lastmod>2016-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heat-bath-configuration-interaction-an-efficient-selected-ci-algorithm-inspired-by-heat-bath-sampling-1606.07453"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heat-bath-configuration-interaction-an-efficient-selected-ci-algorithm-inspired-by-heat-bath-sampling-1606.07453"/></url>
<url><loc>https://scifaro.com/en/abs/rigorous-ab-initio-quantum-embedding-for-quantum-chemistry-using-green-s-function-theory-screened-interaction-non-local-self-energy-relaxation-orbital-basis-and-chemical-accuracy-1606.07454</loc><lastmod>2016-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rigorous-ab-initio-quantum-embedding-for-quantum-chemistry-using-green-s-function-theory-screened-interaction-non-local-self-energy-relaxation-orbital-basis-and-chemical-accuracy-1606.07454"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rigorous-ab-initio-quantum-embedding-for-quantum-chemistry-using-green-s-function-theory-screened-interaction-non-local-self-energy-relaxation-orbital-basis-and-chemical-accuracy-1606.07454"/></url>
<url><loc>https://scifaro.com/en/abs/monitoring-nonadiabatic-electron-nuclear-dynamics-in-molecules-by-attosecond-streaking-of-photoelectrons-1606.07485</loc><lastmod>2016-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monitoring-nonadiabatic-electron-nuclear-dynamics-in-molecules-by-attosecond-streaking-of-photoelectrons-1606.07485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monitoring-nonadiabatic-electron-nuclear-dynamics-in-molecules-by-attosecond-streaking-of-photoelectrons-1606.07485"/></url>
<url><loc>https://scifaro.com/en/abs/hyperfine-coupling-constants-from-internally-contracted-multireference-perturbation-theory-1606.08032</loc><lastmod>2017-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hyperfine-coupling-constants-from-internally-contracted-multireference-perturbation-theory-1606.08032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hyperfine-coupling-constants-from-internally-contracted-multireference-perturbation-theory-1606.08032"/></url>
<url><loc>https://scifaro.com/en/abs/low-pressure-phase-diagram-of-crystalline-benzene-from-quantum-monte-carlo-1606.08178</loc><lastmod>2016-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-pressure-phase-diagram-of-crystalline-benzene-from-quantum-monte-carlo-1606.08178"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-pressure-phase-diagram-of-crystalline-benzene-from-quantum-monte-carlo-1606.08178"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-dependence-of-er3-ionoluminescence-and-photoluminescence-in-gd2o3-bi-nanopowder-1606.08239</loc><lastmod>2016-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-dependence-of-er3-ionoluminescence-and-photoluminescence-in-gd2o3-bi-nanopowder-1606.08239"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-dependence-of-er3-ionoluminescence-and-photoluminescence-in-gd2o3-bi-nanopowder-1606.08239"/></url>
<url><loc>https://scifaro.com/en/abs/exact-factorization-based-density-functional-theory-of-electrons-and-nuclei-1606.08424</loc><lastmod>2016-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-factorization-based-density-functional-theory-of-electrons-and-nuclei-1606.08424"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-factorization-based-density-functional-theory-of-electrons-and-nuclei-1606.08424"/></url>
<url><loc>https://scifaro.com/en/abs/a-deterministic-projector-configuration-interaction-approach-for-the-ground-state-of-quantum-many-body-systems-1606.08475</loc><lastmod>2016-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-deterministic-projector-configuration-interaction-approach-for-the-ground-state-of-quantum-many-body-systems-1606.08475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-deterministic-projector-configuration-interaction-approach-for-the-ground-state-of-quantum-many-body-systems-1606.08475"/></url>
<url><loc>https://scifaro.com/en/abs/new-insight-into-the-ground-state-of-fepc-a-diffusion-monte-carlo-study-1606.08706</loc><lastmod>2017-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-insight-into-the-ground-state-of-fepc-a-diffusion-monte-carlo-study-1606.08706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-insight-into-the-ground-state-of-fepc-a-diffusion-monte-carlo-study-1606.08706"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-molecular-dynamics-of-dissociative-ionization-in-ocs-probed-by-soft-x-ray-synchrotron-radiation-1606.08789</loc><lastmod>2017-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-molecular-dynamics-of-dissociative-ionization-in-ocs-probed-by-soft-x-ray-synchrotron-radiation-1606.08789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-molecular-dynamics-of-dissociative-ionization-in-ocs-probed-by-soft-x-ray-synchrotron-radiation-1606.08789"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-charge-carrier-injection-on-single-chain-photophysics-of-conjugated-polymers-1606.09077</loc><lastmod>2016-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-charge-carrier-injection-on-single-chain-photophysics-of-conjugated-polymers-1606.09077"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-charge-carrier-injection-on-single-chain-photophysics-of-conjugated-polymers-1606.09077"/></url>
<url><loc>https://scifaro.com/en/abs/empirical-correlation-of-the-surface-tension-versus-the-viscosity-for-saturated-normal-liquids-1606.09102</loc><lastmod>2016-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/empirical-correlation-of-the-surface-tension-versus-the-viscosity-for-saturated-normal-liquids-1606.09102"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/empirical-correlation-of-the-surface-tension-versus-the-viscosity-for-saturated-normal-liquids-1606.09102"/></url>
<url><loc>https://scifaro.com/en/abs/new-correlations-between-viscosity-and-surface-tension-for-saturated-normal-fluids-1606.09105</loc><lastmod>2016-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-correlations-between-viscosity-and-surface-tension-for-saturated-normal-fluids-1606.09105"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-correlations-between-viscosity-and-surface-tension-for-saturated-normal-fluids-1606.09105"/></url>
<url><loc>https://scifaro.com/en/abs/improved-correlation-for-viscosity-from-surface-tension-data-for-saturated-normal-fluids-1606.09108</loc><lastmod>2016-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-correlation-for-viscosity-from-surface-tension-data-for-saturated-normal-fluids-1606.09108"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-correlation-for-viscosity-from-surface-tension-data-for-saturated-normal-fluids-1606.09108"/></url>
<url><loc>https://scifaro.com/en/abs/bias-dependent-local-structure-of-water-molecule-at-a-metallic-interface-1606.09203</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bias-dependent-local-structure-of-water-molecule-at-a-metallic-interface-1606.09203"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bias-dependent-local-structure-of-water-molecule-at-a-metallic-interface-1606.09203"/></url>
<url><loc>https://scifaro.com/en/abs/improved-ab-initio-molecular-dynamics-by-minimal-biasing-with-experimental-data-1607.00251</loc><lastmod>2017-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-ab-initio-molecular-dynamics-by-minimal-biasing-with-experimental-data-1607.00251"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-ab-initio-molecular-dynamics-by-minimal-biasing-with-experimental-data-1607.00251"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-pseudocapacitance-of-ruo2-from-joint-density-functional-theory-1607.00335</loc><lastmod>2019-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-pseudocapacitance-of-ruo2-from-joint-density-functional-theory-1607.00335"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-pseudocapacitance-of-ruo2-from-joint-density-functional-theory-1607.00335"/></url>
<url><loc>https://scifaro.com/en/abs/robust-conversion-of-singlet-spin-order-in-coupled-spin-1-2-pairs-by-adiabatically-switched-rf-fields-1607.00539</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-conversion-of-singlet-spin-order-in-coupled-spin-1-2-pairs-by-adiabatically-switched-rf-fields-1607.00539"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-conversion-of-singlet-spin-order-in-coupled-spin-1-2-pairs-by-adiabatically-switched-rf-fields-1607.00539"/></url>
<url><loc>https://scifaro.com/en/abs/intramolecular-torque-an-indicator-of-the-internal-rotation-direction-of-rotor-molecules-and-similar-systems-1607.00593</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intramolecular-torque-an-indicator-of-the-internal-rotation-direction-of-rotor-molecules-and-similar-systems-1607.00593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intramolecular-torque-an-indicator-of-the-internal-rotation-direction-of-rotor-molecules-and-similar-systems-1607.00593"/></url>
<url><loc>https://scifaro.com/en/abs/the-exomol-project-software-for-computing-large-molecular-line-lists-1607.01220</loc><lastmod>2016-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-exomol-project-software-for-computing-large-molecular-line-lists-1607.01220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-exomol-project-software-for-computing-large-molecular-line-lists-1607.01220"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-x-ray-scattering-study-of-ultrafast-photoinduced-structural-dynamics-in-solvated-co-terpy-2-2-1607.01511</loc><lastmod>2016-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-x-ray-scattering-study-of-ultrafast-photoinduced-structural-dynamics-in-solvated-co-terpy-2-2-1607.01511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-x-ray-scattering-study-of-ultrafast-photoinduced-structural-dynamics-in-solvated-co-terpy-2-2-1607.01511"/></url>
<url><loc>https://scifaro.com/en/abs/the-cassie-wenzel-transition-of-fluids-on-nanostructured-substrates-macroscopic-force-balance-versus-microscopic-density-functional-theory-1607.01636</loc><lastmod>2016-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-cassie-wenzel-transition-of-fluids-on-nanostructured-substrates-macroscopic-force-balance-versus-microscopic-density-functional-theory-1607.01636"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-cassie-wenzel-transition-of-fluids-on-nanostructured-substrates-macroscopic-force-balance-versus-microscopic-density-functional-theory-1607.01636"/></url>
<url><loc>https://scifaro.com/en/abs/quadrupole-splittings-in-the-near-infrared-spectrum-of-14-nh-3-1607.01646</loc><lastmod>2016-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quadrupole-splittings-in-the-near-infrared-spectrum-of-14-nh-3-1607.01646"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quadrupole-splittings-in-the-near-infrared-spectrum-of-14-nh-3-1607.01646"/></url>
<url><loc>https://scifaro.com/en/abs/interpolated-wave-functions-for-nonadiabatic-simulations-with-the-fixed-node-quantum-monte-carlo-method-1607.02780</loc><lastmod>2016-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpolated-wave-functions-for-nonadiabatic-simulations-with-the-fixed-node-quantum-monte-carlo-method-1607.02780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpolated-wave-functions-for-nonadiabatic-simulations-with-the-fixed-node-quantum-monte-carlo-method-1607.02780"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-coherence-as-a-witness-of-vibronically-hot-energy-transfer-in-bacterial-reaction-centre-1607.03247</loc><lastmod>2016-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-coherence-as-a-witness-of-vibronically-hot-energy-transfer-in-bacterial-reaction-centre-1607.03247"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-coherence-as-a-witness-of-vibronically-hot-energy-transfer-in-bacterial-reaction-centre-1607.03247"/></url>
<url><loc>https://scifaro.com/en/abs/fractional-charge-and-fractional-spin-errors-in-range-separated-density-functional-theory-1607.03621</loc><lastmod>2017-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fractional-charge-and-fractional-spin-errors-in-range-separated-density-functional-theory-1607.03621"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fractional-charge-and-fractional-spin-errors-in-range-separated-density-functional-theory-1607.03621"/></url>
<url><loc>https://scifaro.com/en/abs/unique-room-temperature-light-emitting-diode-based-on-2d-hybrid-organic-inorganic-low-dimensional-perovskite-semiconductor-1607.04306</loc><lastmod>2017-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unique-room-temperature-light-emitting-diode-based-on-2d-hybrid-organic-inorganic-low-dimensional-perovskite-semiconductor-1607.04306"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unique-room-temperature-light-emitting-diode-based-on-2d-hybrid-organic-inorganic-low-dimensional-perovskite-semiconductor-1607.04306"/></url>
<url><loc>https://scifaro.com/en/abs/partition-functions-1-improved-partition-functions-and-thermodynamic-quantities-for-normal-equilibrium-and-ortho-and-para-molecular-hydrogen-1607.04479</loc><lastmod>2016-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/partition-functions-1-improved-partition-functions-and-thermodynamic-quantities-for-normal-equilibrium-and-ortho-and-para-molecular-hydrogen-1607.04479"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/partition-functions-1-improved-partition-functions-and-thermodynamic-quantities-for-normal-equilibrium-and-ortho-and-para-molecular-hydrogen-1607.04479"/></url>
<url><loc>https://scifaro.com/en/abs/rejection-mechanisms-for-contaminants-in-polymeric-reverse-osmosis-membranes-1607.04680</loc><lastmod>2016-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rejection-mechanisms-for-contaminants-in-polymeric-reverse-osmosis-membranes-1607.04680"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rejection-mechanisms-for-contaminants-in-polymeric-reverse-osmosis-membranes-1607.04680"/></url>
<url><loc>https://scifaro.com/en/abs/lifetimes-and-wave-functions-of-ozone-metastable-vibrational-states-near-the-dissociation-limit-in-full-symmetry-approach-1607.04749</loc><lastmod>2016-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lifetimes-and-wave-functions-of-ozone-metastable-vibrational-states-near-the-dissociation-limit-in-full-symmetry-approach-1607.04749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lifetimes-and-wave-functions-of-ozone-metastable-vibrational-states-near-the-dissociation-limit-in-full-symmetry-approach-1607.04749"/></url>
<url><loc>https://scifaro.com/en/abs/bohmian-mechanics-in-the-exact-factorization-of-electron-nuclear-wavefunction-1607.04854</loc><lastmod>2016-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bohmian-mechanics-in-the-exact-factorization-of-electron-nuclear-wavefunction-1607.04854"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bohmian-mechanics-in-the-exact-factorization-of-electron-nuclear-wavefunction-1607.04854"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-reaction-rates-from-ring-polymer-molecular-dynamics-theory-and-practical-applications-1607.04858</loc><lastmod>2017-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-reaction-rates-from-ring-polymer-molecular-dynamics-theory-and-practical-applications-1607.04858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-reaction-rates-from-ring-polymer-molecular-dynamics-theory-and-practical-applications-1607.04858"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-properties-of-cyclacenes-from-tao-dft-1607.04900</loc><lastmod>2016-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-properties-of-cyclacenes-from-tao-dft-1607.04900"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-properties-of-cyclacenes-from-tao-dft-1607.04900"/></url>
<url><loc>https://scifaro.com/en/abs/skeletal-mechanism-generation-for-surrogate-fuels-using-directed-relation-graph-with-error-propagation-and-sensitivity-analysis-1607.05079</loc><lastmod>2016-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/skeletal-mechanism-generation-for-surrogate-fuels-using-directed-relation-graph-with-error-propagation-and-sensitivity-analysis-1607.05079"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/skeletal-mechanism-generation-for-surrogate-fuels-using-directed-relation-graph-with-error-propagation-and-sensitivity-analysis-1607.05079"/></url>
<url><loc>https://scifaro.com/en/abs/a-direct-two-dimensional-pressure-formulation-in-molecular-dynamics-1607.05093</loc><lastmod>2018-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-direct-two-dimensional-pressure-formulation-in-molecular-dynamics-1607.05093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-direct-two-dimensional-pressure-formulation-in-molecular-dynamics-1607.05093"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-a-nonempirical-density-functional-on-molecules-and-hydrogen-bonded-complexes-1607.05249</loc><lastmod>2017-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-a-nonempirical-density-functional-on-molecules-and-hydrogen-bonded-complexes-1607.05249"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-a-nonempirical-density-functional-on-molecules-and-hydrogen-bonded-complexes-1607.05249"/></url>
<url><loc>https://scifaro.com/en/abs/the-i-v-curve-curve-characteristics-of-burner-stabilized-premixed-flames-detailed-and-reduced-models-1607.05266</loc><lastmod>2016-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-i-v-curve-curve-characteristics-of-burner-stabilized-premixed-flames-detailed-and-reduced-models-1607.05266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-i-v-curve-curve-characteristics-of-burner-stabilized-premixed-flames-detailed-and-reduced-models-1607.05266"/></url>
<url><loc>https://scifaro.com/en/abs/self-consistent-double-hybrid-density-functional-theory-using-the-optimized-effective-potential-method-1607.05481</loc><lastmod>2016-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-consistent-double-hybrid-density-functional-theory-using-the-optimized-effective-potential-method-1607.05481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-consistent-double-hybrid-density-functional-theory-using-the-optimized-effective-potential-method-1607.05481"/></url>
<url><loc>https://scifaro.com/en/abs/concurrent-parametrization-against-static-and-kinetic-information-leads-to-more-robust-coarse-grained-force-fields-1607.05492</loc><lastmod>2016-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/concurrent-parametrization-against-static-and-kinetic-information-leads-to-more-robust-coarse-grained-force-fields-1607.05492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/concurrent-parametrization-against-static-and-kinetic-information-leads-to-more-robust-coarse-grained-force-fields-1607.05492"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-vibrationally-mediated-electron-transfer-coherent-phenomena-induced-by-ultrafast-charge-separation-1607.05545</loc><lastmod>2016-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-vibrationally-mediated-electron-transfer-coherent-phenomena-induced-by-ultrafast-charge-separation-1607.05545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-vibrationally-mediated-electron-transfer-coherent-phenomena-induced-by-ultrafast-charge-separation-1607.05545"/></url>
<url><loc>https://scifaro.com/en/abs/adiabatic-mixed-field-orientation-of-ground-state-selected-carbonyl-sulfide-molecules-1607.05615</loc><lastmod>2016-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adiabatic-mixed-field-orientation-of-ground-state-selected-carbonyl-sulfide-molecules-1607.05615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adiabatic-mixed-field-orientation-of-ground-state-selected-carbonyl-sulfide-molecules-1607.05615"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-phase-effects-in-the-ultracold-d-hd-to-d-hd-and-d-hd-leftrightarrow-h-d-2-reactions-1607.05763</loc><lastmod>2017-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-phase-effects-in-the-ultracold-d-hd-to-d-hd-and-d-hd-leftrightarrow-h-d-2-reactions-1607.05763"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-phase-effects-in-the-ultracold-d-hd-to-d-hd-and-d-hd-leftrightarrow-h-d-2-reactions-1607.05763"/></url>
<url><loc>https://scifaro.com/en/abs/double-resonant-absorption-measurement-of-acetylene-symmetric-vibrational-states-probed-with-cavity-ring-down-spectroscopy-1607.05953</loc><lastmod>2016-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-resonant-absorption-measurement-of-acetylene-symmetric-vibrational-states-probed-with-cavity-ring-down-spectroscopy-1607.05953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-resonant-absorption-measurement-of-acetylene-symmetric-vibrational-states-probed-with-cavity-ring-down-spectroscopy-1607.05953"/></url>
<url><loc>https://scifaro.com/en/abs/automatic-parametrization-of-implicit-solvent-models-for-the-blind-prediction-of-solvation-free-energies-1607.06037</loc><lastmod>2016-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automatic-parametrization-of-implicit-solvent-models-for-the-blind-prediction-of-solvation-free-energies-1607.06037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automatic-parametrization-of-implicit-solvent-models-for-the-blind-prediction-of-solvation-free-energies-1607.06037"/></url>
<url><loc>https://scifaro.com/en/abs/the-effect-of-surface-transport-on-water-desalination-by-porous-electrodes-undergoing-capacitive-charging-1607.06350</loc><lastmod>2017-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effect-of-surface-transport-on-water-desalination-by-porous-electrodes-undergoing-capacitive-charging-1607.06350"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effect-of-surface-transport-on-water-desalination-by-porous-electrodes-undergoing-capacitive-charging-1607.06350"/></url>
<url><loc>https://scifaro.com/en/abs/using-cipsi-nodes-in-diffusion-monte-carlo-1607.06742</loc><lastmod>2017-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-cipsi-nodes-in-diffusion-monte-carlo-1607.06742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-cipsi-nodes-in-diffusion-monte-carlo-1607.06742"/></url>
<url><loc>https://scifaro.com/en/abs/pseudocontact-shifts-from-mobile-spin-labels-1607.08869</loc><lastmod>2016-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pseudocontact-shifts-from-mobile-spin-labels-1607.08869"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pseudocontact-shifts-from-mobile-spin-labels-1607.08869"/></url>
<url><loc>https://scifaro.com/en/abs/employing-range-separation-on-the-meta-gga-rung-new-functional-suitable-for-both-covalent-and-noncovalent-interactions-1608.00035</loc><lastmod>2016-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/employing-range-separation-on-the-meta-gga-rung-new-functional-suitable-for-both-covalent-and-noncovalent-interactions-1608.00035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/employing-range-separation-on-the-meta-gga-rung-new-functional-suitable-for-both-covalent-and-noncovalent-interactions-1608.00035"/></url>
<url><loc>https://scifaro.com/en/abs/ion-and-water-transport-in-charge-modified-graphene-nanopores-1608.00054</loc><lastmod>2016-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ion-and-water-transport-in-charge-modified-graphene-nanopores-1608.00054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ion-and-water-transport-in-charge-modified-graphene-nanopores-1608.00054"/></url>
<url><loc>https://scifaro.com/en/abs/the-twofold-diabatization-of-the-krb-1-sim-2-1-pi-complex-in-the-framework-of-emph-ab-initio-and-deperturbation-approaches-1608.00225</loc><lastmod>2016-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-twofold-diabatization-of-the-krb-1-sim-2-1-pi-complex-in-the-framework-of-emph-ab-initio-and-deperturbation-approaches-1608.00225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-twofold-diabatization-of-the-krb-1-sim-2-1-pi-complex-in-the-framework-of-emph-ab-initio-and-deperturbation-approaches-1608.00225"/></url>
<url><loc>https://scifaro.com/en/abs/mesostructure-anisotropy-of-bacterial-cellulose-polyacrylamide-hydrogels-as-studied-by-spin-echo-small-angle-neutron-scattering-1608.00544</loc><lastmod>2016-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mesostructure-anisotropy-of-bacterial-cellulose-polyacrylamide-hydrogels-as-studied-by-spin-echo-small-angle-neutron-scattering-1608.00544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mesostructure-anisotropy-of-bacterial-cellulose-polyacrylamide-hydrogels-as-studied-by-spin-echo-small-angle-neutron-scattering-1608.00544"/></url>
<url><loc>https://scifaro.com/en/abs/a-spectroscopic-survey-of-electronic-transitions-of-c-6-h-13-c-6-h-and-c-6-d-1608.00880</loc><lastmod>2016-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-spectroscopic-survey-of-electronic-transitions-of-c-6-h-13-c-6-h-and-c-6-d-1608.00880"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-spectroscopic-survey-of-electronic-transitions-of-c-6-h-13-c-6-h-and-c-6-d-1608.00880"/></url>
<url><loc>https://scifaro.com/en/abs/revealing-the-multi-bonding-state-between-hydrogen-and-graphene-supported-ti-clusters-1608.01146</loc><lastmod>2016-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revealing-the-multi-bonding-state-between-hydrogen-and-graphene-supported-ti-clusters-1608.01146"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revealing-the-multi-bonding-state-between-hydrogen-and-graphene-supported-ti-clusters-1608.01146"/></url>
<url><loc>https://scifaro.com/en/abs/comparison-between-free-and-immobilized-ion-effects-on-hydrophobic-interactions-a-molecular-dynamics-study-1608.01707</loc><lastmod>2016-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparison-between-free-and-immobilized-ion-effects-on-hydrophobic-interactions-a-molecular-dynamics-study-1608.01707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparison-between-free-and-immobilized-ion-effects-on-hydrophobic-interactions-a-molecular-dynamics-study-1608.01707"/></url>
<url><loc>https://scifaro.com/en/abs/multi-reference-perturbation-theory-with-cholesky-decomposition-for-the-density-matrix-renormalization-group-1608.02006</loc><lastmod>2017-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-reference-perturbation-theory-with-cholesky-decomposition-for-the-density-matrix-renormalization-group-1608.02006"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-reference-perturbation-theory-with-cholesky-decomposition-for-the-density-matrix-renormalization-group-1608.02006"/></url>
<url><loc>https://scifaro.com/en/abs/deviations-from-born-oppenheimer-mass-scaling-in-spectroscopy-and-ultracold-molecular-physics-1608.02141</loc><lastmod>2017-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deviations-from-born-oppenheimer-mass-scaling-in-spectroscopy-and-ultracold-molecular-physics-1608.02141"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deviations-from-born-oppenheimer-mass-scaling-in-spectroscopy-and-ultracold-molecular-physics-1608.02141"/></url>
<url><loc>https://scifaro.com/en/abs/helical-nanomachines-for-fast-mechanical-mapping-of-heterogeneous-environments-1608.02253</loc><lastmod>2016-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/helical-nanomachines-for-fast-mechanical-mapping-of-heterogeneous-environments-1608.02253"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/helical-nanomachines-for-fast-mechanical-mapping-of-heterogeneous-environments-1608.02253"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-multi-reference-nature-of-plutonium-oxides-puo-2-2-puo-2-puo-3-and-puo-2-oh-2-1608.02353</loc><lastmod>2020-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-multi-reference-nature-of-plutonium-oxides-puo-2-2-puo-2-puo-3-and-puo-2-oh-2-1608.02353"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-multi-reference-nature-of-plutonium-oxides-puo-2-2-puo-2-puo-3-and-puo-2-oh-2-1608.02353"/></url>
<url><loc>https://scifaro.com/en/abs/what-do-we-approximate-and-what-are-the-consequences-in-perturbation-theory-1608.02399</loc><lastmod>2016-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/what-do-we-approximate-and-what-are-the-consequences-in-perturbation-theory-1608.02399"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/what-do-we-approximate-and-what-are-the-consequences-in-perturbation-theory-1608.02399"/></url>
<url><loc>https://scifaro.com/en/abs/stabilized-density-gradient-theory-algorithm-for-modeling-interfacial-properties-of-pure-and-mixed-systems-1608.02535</loc><lastmod>2016-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stabilized-density-gradient-theory-algorithm-for-modeling-interfacial-properties-of-pure-and-mixed-systems-1608.02535"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stabilized-density-gradient-theory-algorithm-for-modeling-interfacial-properties-of-pure-and-mixed-systems-1608.02535"/></url>
<url><loc>https://scifaro.com/en/abs/exact-exchange-correlation-functional-for-the-infinitely-stretched-hydrogen-molecule-1608.02553</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-exchange-correlation-functional-for-the-infinitely-stretched-hydrogen-molecule-1608.02553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-exchange-correlation-functional-for-the-infinitely-stretched-hydrogen-molecule-1608.02553"/></url>
<url><loc>https://scifaro.com/en/abs/fermi-and-coulomb-correlation-effects-upon-the-interacting-quantum-atoms-energy-partition-1608.02559</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fermi-and-coulomb-correlation-effects-upon-the-interacting-quantum-atoms-energy-partition-1608.02559"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fermi-and-coulomb-correlation-effects-upon-the-interacting-quantum-atoms-energy-partition-1608.02559"/></url>
<url><loc>https://scifaro.com/en/abs/the-near-infrared-spectrum-of-ethynyl-radical-1608.02624</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-near-infrared-spectrum-of-ethynyl-radical-1608.02624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-near-infrared-spectrum-of-ethynyl-radical-1608.02624"/></url>
<url><loc>https://scifaro.com/en/abs/probing-the-charge-separation-process-on-in2s3-pt-tio2-nanocomposites-for-boosted-visible-light-photocatalytic-hydrogen-production-1608.02804</loc><lastmod>2016-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-the-charge-separation-process-on-in2s3-pt-tio2-nanocomposites-for-boosted-visible-light-photocatalytic-hydrogen-production-1608.02804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-the-charge-separation-process-on-in2s3-pt-tio2-nanocomposites-for-boosted-visible-light-photocatalytic-hydrogen-production-1608.02804"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-and-accurate-modeling-of-electron-photoemission-in-nanostructures-with-tddft-1608.02818</loc><lastmod>2017-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-and-accurate-modeling-of-electron-photoemission-in-nanostructures-with-tddft-1608.02818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-and-accurate-modeling-of-electron-photoemission-in-nanostructures-with-tddft-1608.02818"/></url>
<url><loc>https://scifaro.com/en/abs/water-orientation-and-hydrogen-bond-structure-at-the-fluorite-water-interface-1608.02825</loc><lastmod>2016-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-orientation-and-hydrogen-bond-structure-at-the-fluorite-water-interface-1608.02825"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-orientation-and-hydrogen-bond-structure-at-the-fluorite-water-interface-1608.02825"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-electric-moments-calculated-by-using-natural-orbital-functional-theory-1608.03167</loc><lastmod>2016-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-electric-moments-calculated-by-using-natural-orbital-functional-theory-1608.03167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-electric-moments-calculated-by-using-natural-orbital-functional-theory-1608.03167"/></url>
<url><loc>https://scifaro.com/en/abs/potential-energy-curves-for-p2-and-p2-constructed-from-a-strictly-n-representable-natural-orbital-functional-1608.03183</loc><lastmod>2016-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/potential-energy-curves-for-p2-and-p2-constructed-from-a-strictly-n-representable-natural-orbital-functional-1608.03183"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/potential-energy-curves-for-p2-and-p2-constructed-from-a-strictly-n-representable-natural-orbital-functional-1608.03183"/></url>
<url><loc>https://scifaro.com/en/abs/emergence-of-dynamic-cooperativity-in-the-stochastic-kinetics-of-fluctuating-enzymes-1608.03379</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/emergence-of-dynamic-cooperativity-in-the-stochastic-kinetics-of-fluctuating-enzymes-1608.03379"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/emergence-of-dynamic-cooperativity-in-the-stochastic-kinetics-of-fluctuating-enzymes-1608.03379"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-dynamical-correlation-effects-in-x-ray-spectroscopy-from-a-time-domain-perspective-1608.03436</loc><lastmod>2016-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-dynamical-correlation-effects-in-x-ray-spectroscopy-from-a-time-domain-perspective-1608.03436"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-dynamical-correlation-effects-in-x-ray-spectroscopy-from-a-time-domain-perspective-1608.03436"/></url>
<url><loc>https://scifaro.com/en/abs/product-lambda-doublet-ratios-for-the-o-3p-d2-reaction-a-mechanistic-imprint-1608.03877</loc><lastmod>2016-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/product-lambda-doublet-ratios-for-the-o-3p-d2-reaction-a-mechanistic-imprint-1608.03877"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/product-lambda-doublet-ratios-for-the-o-3p-d2-reaction-a-mechanistic-imprint-1608.03877"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-monte-carlo-study-of-mono-benzene-tm-and-bis-benzene-tm-systems-1608.03946</loc><lastmod>2017-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-monte-carlo-study-of-mono-benzene-tm-and-bis-benzene-tm-systems-1608.03946"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-monte-carlo-study-of-mono-benzene-tm-and-bis-benzene-tm-systems-1608.03946"/></url>
<url><loc>https://scifaro.com/en/abs/use-of-the-theory-of-lifshitz-slyosov-wagner-for-the-evaluation-of-the-aqueous-solubility-of-dodecane-1608.04019</loc><lastmod>2016-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/use-of-the-theory-of-lifshitz-slyosov-wagner-for-the-evaluation-of-the-aqueous-solubility-of-dodecane-1608.04019"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/use-of-the-theory-of-lifshitz-slyosov-wagner-for-the-evaluation-of-the-aqueous-solubility-of-dodecane-1608.04019"/></url>
<url><loc>https://scifaro.com/en/abs/crossover-behavior-in-the-distance-dependence-of-hydrophobic-force-law-1608.04107</loc><lastmod>2016-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crossover-behavior-in-the-distance-dependence-of-hydrophobic-force-law-1608.04107"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crossover-behavior-in-the-distance-dependence-of-hydrophobic-force-law-1608.04107"/></url>
<url><loc>https://scifaro.com/en/abs/how-polarizabilities-and-c-6-coefficients-actually-vary-with-atomic-volume-1608.04161</loc><lastmod>2016-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-polarizabilities-and-c-6-coefficients-actually-vary-with-atomic-volume-1608.04161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-polarizabilities-and-c-6-coefficients-actually-vary-with-atomic-volume-1608.04161"/></url>
<url><loc>https://scifaro.com/en/abs/separation-of-dynamic-and-nondynamic-correlation-1608.04266</loc><lastmod>2016-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/separation-of-dynamic-and-nondynamic-correlation-1608.04266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/separation-of-dynamic-and-nondynamic-correlation-1608.04266"/></url>
<url><loc>https://scifaro.com/en/abs/photon-blockade-induced-photon-anti-bunching-in-photosynthetic-antennas-with-cyclic-structures-1608.04364</loc><lastmod>2017-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photon-blockade-induced-photon-anti-bunching-in-photosynthetic-antennas-with-cyclic-structures-1608.04364"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photon-blockade-induced-photon-anti-bunching-in-photosynthetic-antennas-with-cyclic-structures-1608.04364"/></url>
<url><loc>https://scifaro.com/en/abs/collective-excitations-in-liquid-dmso-fir-spectrum-low-frequency-vibrational-density-of-states-and-ultrafast-dipolar-solvation-dynamics-1608.04383</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collective-excitations-in-liquid-dmso-fir-spectrum-low-frequency-vibrational-density-of-states-and-ultrafast-dipolar-solvation-dynamics-1608.04383"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collective-excitations-in-liquid-dmso-fir-spectrum-low-frequency-vibrational-density-of-states-and-ultrafast-dipolar-solvation-dynamics-1608.04383"/></url>
<url><loc>https://scifaro.com/en/abs/revisiting-the-thermochemistry-of-chlorine-fluorides-1608.04404</loc><lastmod>2024-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revisiting-the-thermochemistry-of-chlorine-fluorides-1608.04404"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revisiting-the-thermochemistry-of-chlorine-fluorides-1608.04404"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-lithium-ionic-conductors-by-electronic-stress-tensor-density-and-electronic-kinetic-energy-density-1608.04497</loc><lastmod>2016-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-lithium-ionic-conductors-by-electronic-stress-tensor-density-and-electronic-kinetic-energy-density-1608.04497"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-lithium-ionic-conductors-by-electronic-stress-tensor-density-and-electronic-kinetic-energy-density-1608.04497"/></url>
<url><loc>https://scifaro.com/en/abs/enantiomer-specific-state-transfer-of-chiral-molecules-1608.04691</loc><lastmod>2017-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enantiomer-specific-state-transfer-of-chiral-molecules-1608.04691"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enantiomer-specific-state-transfer-of-chiral-molecules-1608.04691"/></url>
<url><loc>https://scifaro.com/en/abs/a-density-functional-study-of-covalency-in-the-trihalides-of-lutetium-and-lawrencium-1608.04703</loc><lastmod>2016-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-density-functional-study-of-covalency-in-the-trihalides-of-lutetium-and-lawrencium-1608.04703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-density-functional-study-of-covalency-in-the-trihalides-of-lutetium-and-lawrencium-1608.04703"/></url>
<url><loc>https://scifaro.com/en/abs/real-space-electrostatics-for-multipoles-iii-dielectric-properties-1608.04970</loc><lastmod>2016-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-space-electrostatics-for-multipoles-iii-dielectric-properties-1608.04970"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-space-electrostatics-for-multipoles-iii-dielectric-properties-1608.04970"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-spin-flip-dynamics-in-transition-metal-complexes-triggered-by-soft-x-ray-light-1608.04979</loc><lastmod>2017-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-spin-flip-dynamics-in-transition-metal-complexes-triggered-by-soft-x-ray-light-1608.04979"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-spin-flip-dynamics-in-transition-metal-complexes-triggered-by-soft-x-ray-light-1608.04979"/></url>
<url><loc>https://scifaro.com/en/abs/focal-overlap-gating-in-velocity-map-imaging-to-achieve-high-signal-to-noise-ratio-in-photo-ion-pump-probe-experiments-1608.05107</loc><lastmod>2017-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/focal-overlap-gating-in-velocity-map-imaging-to-achieve-high-signal-to-noise-ratio-in-photo-ion-pump-probe-experiments-1608.05107"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/focal-overlap-gating-in-velocity-map-imaging-to-achieve-high-signal-to-noise-ratio-in-photo-ion-pump-probe-experiments-1608.05107"/></url>
<url><loc>https://scifaro.com/en/abs/surface-tension-of-molecular-liquids-lattice-gas-approach-1608.05136</loc><lastmod>2018-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-tension-of-molecular-liquids-lattice-gas-approach-1608.05136"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-tension-of-molecular-liquids-lattice-gas-approach-1608.05136"/></url>
<url><loc>https://scifaro.com/en/abs/amplitude-determinant-coupled-cluster-with-pairwise-doubles-1608.05195</loc><lastmod>2016-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/amplitude-determinant-coupled-cluster-with-pairwise-doubles-1608.05195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/amplitude-determinant-coupled-cluster-with-pairwise-doubles-1608.05195"/></url>
<url><loc>https://scifaro.com/en/abs/minimal-basis-iterative-stockholder-atoms-in-molecules-for-force-field-development-1608.05556</loc><lastmod>2016-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/minimal-basis-iterative-stockholder-atoms-in-molecules-for-force-field-development-1608.05556"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/minimal-basis-iterative-stockholder-atoms-in-molecules-for-force-field-development-1608.05556"/></url>
<url><loc>https://scifaro.com/en/abs/co-induced-restructuring-on-stepped-pt-surfaces-a-molecular-dynamics-study-1608.05833</loc><lastmod>2016-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/co-induced-restructuring-on-stepped-pt-surfaces-a-molecular-dynamics-study-1608.05833"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/co-induced-restructuring-on-stepped-pt-surfaces-a-molecular-dynamics-study-1608.05833"/></url>
<url><loc>https://scifaro.com/en/abs/linear-nonequilibrium-thermodynamics-of-reversible-periodic-processes-and-chemical-oscillations-1608.06093</loc><lastmod>2020-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-nonequilibrium-thermodynamics-of-reversible-periodic-processes-and-chemical-oscillations-1608.06093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-nonequilibrium-thermodynamics-of-reversible-periodic-processes-and-chemical-oscillations-1608.06093"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-molecular-representations-in-machine-learning-the-role-of-uniqueness-and-target-similarity-1608.06194</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-molecular-representations-in-machine-learning-the-role-of-uniqueness-and-target-similarity-1608.06194"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-molecular-representations-in-machine-learning-the-role-of-uniqueness-and-target-similarity-1608.06194"/></url>
<url><loc>https://scifaro.com/en/abs/neural-networks-for-the-prediction-organic-chemistry-reactions-1608.06296</loc><lastmod>2017-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-networks-for-the-prediction-organic-chemistry-reactions-1608.06296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-networks-for-the-prediction-organic-chemistry-reactions-1608.06296"/></url>
<url><loc>https://scifaro.com/en/abs/expectation-values-of-single-particle-operators-in-the-random-phase-approximation-ground-state-1608.06649</loc><lastmod>2017-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/expectation-values-of-single-particle-operators-in-the-random-phase-approximation-ground-state-1608.06649"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/expectation-values-of-single-particle-operators-in-the-random-phase-approximation-ground-state-1608.06649"/></url>
<url><loc>https://scifaro.com/en/abs/modulus-pressure-equation-for-confined-fluids-1608.06681</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modulus-pressure-equation-for-confined-fluids-1608.06681"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modulus-pressure-equation-for-confined-fluids-1608.06681"/></url>
<url><loc>https://scifaro.com/en/abs/some-implications-of-the-hartree-product-treatment-of-the-quantum-nuclei-in-the-ab-initio-nuclear-electronic-orbital-methodology-1608.06860</loc><lastmod>2016-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/some-implications-of-the-hartree-product-treatment-of-the-quantum-nuclei-in-the-ab-initio-nuclear-electronic-orbital-methodology-1608.06860"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/some-implications-of-the-hartree-product-treatment-of-the-quantum-nuclei-in-the-ab-initio-nuclear-electronic-orbital-methodology-1608.06860"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-ordering-beyond-the-superstructure-in-long-range-ordered-systems-1608.06870</loc><lastmod>2016-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-ordering-beyond-the-superstructure-in-long-range-ordered-systems-1608.06870"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-ordering-beyond-the-superstructure-in-long-range-ordered-systems-1608.06870"/></url>
<url><loc>https://scifaro.com/en/abs/the-b850-b875-photosynthetic-complex-ground-and-excited-state-are-both-coherent-1608.06913</loc><lastmod>2016-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-b850-b875-photosynthetic-complex-ground-and-excited-state-are-both-coherent-1608.06913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-b850-b875-photosynthetic-complex-ground-and-excited-state-are-both-coherent-1608.06913"/></url>
<url><loc>https://scifaro.com/en/abs/construction-of-multi-chromophoric-spectra-from-monomer-data-applications-to-resonant-energy-transfer-1608.06943</loc><lastmod>2017-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/construction-of-multi-chromophoric-spectra-from-monomer-data-applications-to-resonant-energy-transfer-1608.06943"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/construction-of-multi-chromophoric-spectra-from-monomer-data-applications-to-resonant-energy-transfer-1608.06943"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-linear-sweep-voltammetry-with-diffuse-charge-unsupported-electrolytes-thin-films-and-leaky-membranes-1608.07004</loc><lastmod>2017-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-linear-sweep-voltammetry-with-diffuse-charge-unsupported-electrolytes-thin-films-and-leaky-membranes-1608.07004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-linear-sweep-voltammetry-with-diffuse-charge-unsupported-electrolytes-thin-films-and-leaky-membranes-1608.07004"/></url>
<url><loc>https://scifaro.com/en/abs/resistive-switching-in-aqueous-nanopores-by-shock-electrodeposition-1608.07007</loc><lastmod>2016-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resistive-switching-in-aqueous-nanopores-by-shock-electrodeposition-1608.07007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resistive-switching-in-aqueous-nanopores-by-shock-electrodeposition-1608.07007"/></url>
<url><loc>https://scifaro.com/en/abs/complete-alpha-6-m-corrections-to-the-ground-state-of-h-2-1608.07081</loc><lastmod>2017-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complete-alpha-6-m-corrections-to-the-ground-state-of-h-2-1608.07081"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complete-alpha-6-m-corrections-to-the-ground-state-of-h-2-1608.07081"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-dynamics-of-v-type-systems-driven-by-time-dependent-incoherent-radiation-1608.07302</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-dynamics-of-v-type-systems-driven-by-time-dependent-incoherent-radiation-1608.07302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-dynamics-of-v-type-systems-driven-by-time-dependent-incoherent-radiation-1608.07302"/></url>
<url><loc>https://scifaro.com/en/abs/inapplicability-of-exact-constraints-and-a-minimal-two-parameter-generalization-to-the-dft-u-based-correction-of-self-interaction-error-1608.07320</loc><lastmod>2016-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inapplicability-of-exact-constraints-and-a-minimal-two-parameter-generalization-to-the-dft-u-based-correction-of-self-interaction-error-1608.07320"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inapplicability-of-exact-constraints-and-a-minimal-two-parameter-generalization-to-the-dft-u-based-correction-of-self-interaction-error-1608.07320"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-electrochemical-kinetics-1608.07507</loc><lastmod>2016-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-electrochemical-kinetics-1608.07507"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-electrochemical-kinetics-1608.07507"/></url>
<url><loc>https://scifaro.com/en/abs/the-differential-virial-theorem-with-gradient-formulas-for-the-operators-1608.07601</loc><lastmod>2025-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-differential-virial-theorem-with-gradient-formulas-for-the-operators-1608.07601"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-differential-virial-theorem-with-gradient-formulas-for-the-operators-1608.07601"/></url>
<url><loc>https://scifaro.com/en/abs/diffractive-imaging-of-coherent-nuclear-motion-in-isolated-molecules-1608.07725</loc><lastmod>2016-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffractive-imaging-of-coherent-nuclear-motion-in-isolated-molecules-1608.07725"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffractive-imaging-of-coherent-nuclear-motion-in-isolated-molecules-1608.07725"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-quantum-dissipation-in-a-class-of-non-gaussian-environments-1608.07774</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-quantum-dissipation-in-a-class-of-non-gaussian-environments-1608.07774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-quantum-dissipation-in-a-class-of-non-gaussian-environments-1608.07774"/></url>
<url><loc>https://scifaro.com/en/abs/lc-esi-ms-analysis-of-underivatized-amino-acids-and-mass-spectrum-1608.07780</loc><lastmod>2016-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lc-esi-ms-analysis-of-underivatized-amino-acids-and-mass-spectrum-1608.07780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lc-esi-ms-analysis-of-underivatized-amino-acids-and-mass-spectrum-1608.07780"/></url>
<url><loc>https://scifaro.com/en/abs/the-fate-of-carbon-dioxide-in-water-rich-fluids-at-extreme-conditions-1608.07861</loc><lastmod>2018-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-fate-of-carbon-dioxide-in-water-rich-fluids-at-extreme-conditions-1608.07861"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-fate-of-carbon-dioxide-in-water-rich-fluids-at-extreme-conditions-1608.07861"/></url>
<url><loc>https://scifaro.com/en/abs/the-anion-effect-on-li-ion-coordination-structure-in-ethylene-carbonate-solutions-1608.08003</loc><lastmod>2016-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-anion-effect-on-li-ion-coordination-structure-in-ethylene-carbonate-solutions-1608.08003"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-anion-effect-on-li-ion-coordination-structure-in-ethylene-carbonate-solutions-1608.08003"/></url>
<url><loc>https://scifaro.com/en/abs/sigma-scf-a-direct-energy-targeting-method-to-mean-field-excited-states-1608.08317</loc><lastmod>2022-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sigma-scf-a-direct-energy-targeting-method-to-mean-field-excited-states-1608.08317"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sigma-scf-a-direct-energy-targeting-method-to-mean-field-excited-states-1608.08317"/></url>
<url><loc>https://scifaro.com/en/abs/short-and-long-range-corrected-hybrid-density-functionals-with-the-d3-dispersion-corrections-1608.08478</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/short-and-long-range-corrected-hybrid-density-functionals-with-the-d3-dispersion-corrections-1608.08478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/short-and-long-range-corrected-hybrid-density-functionals-with-the-d3-dispersion-corrections-1608.08478"/></url>
<url><loc>https://scifaro.com/en/abs/surface-hopping-methodology-in-laser-driven-molecular-dynamics-1608.08768</loc><lastmod>2017-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-hopping-methodology-in-laser-driven-molecular-dynamics-1608.08768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-hopping-methodology-in-laser-driven-molecular-dynamics-1608.08768"/></url>
<url><loc>https://scifaro.com/en/abs/spontaneous-dehydrogenation-of-methanol-over-defect-free-mgo-100-thin-film-deposited-on-molybdenum-1608.08827</loc><lastmod>2016-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spontaneous-dehydrogenation-of-methanol-over-defect-free-mgo-100-thin-film-deposited-on-molybdenum-1608.08827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spontaneous-dehydrogenation-of-methanol-over-defect-free-mgo-100-thin-film-deposited-on-molybdenum-1608.08827"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-tunneling-enhancement-of-the-c-h2o-and-c-d2o-reactions-at-low-temperature-1608.08877</loc><lastmod>2016-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-tunneling-enhancement-of-the-c-h2o-and-c-d2o-reactions-at-low-temperature-1608.08877"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-tunneling-enhancement-of-the-c-h2o-and-c-d2o-reactions-at-low-temperature-1608.08877"/></url>
<url><loc>https://scifaro.com/en/abs/nucleation-and-droplet-growth-from-supersaturated-vapor-at-temperatures-below-the-triple-point-temperature-1609.00038</loc><lastmod>2016-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nucleation-and-droplet-growth-from-supersaturated-vapor-at-temperatures-below-the-triple-point-temperature-1609.00038"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nucleation-and-droplet-growth-from-supersaturated-vapor-at-temperatures-below-the-triple-point-temperature-1609.00038"/></url>
<url><loc>https://scifaro.com/en/abs/finite-size-corrections-to-the-excitation-energy-transfer-in-a-massless-scalar-interaction-model-1609.00160</loc><lastmod>2017-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finite-size-corrections-to-the-excitation-energy-transfer-in-a-massless-scalar-interaction-model-1609.00160"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finite-size-corrections-to-the-excitation-energy-transfer-in-a-massless-scalar-interaction-model-1609.00160"/></url>
<url><loc>https://scifaro.com/en/abs/challenges-in-large-scale-quantum-mechanical-calculations-1609.00252</loc><lastmod>2016-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/challenges-in-large-scale-quantum-mechanical-calculations-1609.00252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/challenges-in-large-scale-quantum-mechanical-calculations-1609.00252"/></url>
<url><loc>https://scifaro.com/en/abs/competing-quantum-effects-in-the-free-energy-profiles-and-diffusion-rates-of-hydrogen-and-deuterium-molecules-through-clathrate-hydrates-1609.00272</loc><lastmod>2017-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/competing-quantum-effects-in-the-free-energy-profiles-and-diffusion-rates-of-hydrogen-and-deuterium-molecules-through-clathrate-hydrates-1609.00272"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/competing-quantum-effects-in-the-free-energy-profiles-and-diffusion-rates-of-hydrogen-and-deuterium-molecules-through-clathrate-hydrates-1609.00272"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-dynamics-of-extended-objects-in-driven-systems-ii-current-quantization-in-the-low-temperature-limit-1609.00334</loc><lastmod>2017-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-dynamics-of-extended-objects-in-driven-systems-ii-current-quantization-in-the-low-temperature-limit-1609.00334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-dynamics-of-extended-objects-in-driven-systems-ii-current-quantization-in-the-low-temperature-limit-1609.00334"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-dynamics-of-extended-objects-in-driven-systems-i-higher-dimensional-currents-in-the-continuous-setting-1609.00336</loc><lastmod>2017-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-dynamics-of-extended-objects-in-driven-systems-i-higher-dimensional-currents-in-the-continuous-setting-1609.00336"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-dynamics-of-extended-objects-in-driven-systems-i-higher-dimensional-currents-in-the-continuous-setting-1609.00336"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-effective-rotational-and-rovibrational-hamiltonians-for-non-rigid-systems-via-curvilinear-second-order-vibrational-m-o-ller-plesset-perturbation-theory-1609.00430</loc><lastmod>2016-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-effective-rotational-and-rovibrational-hamiltonians-for-non-rigid-systems-via-curvilinear-second-order-vibrational-m-o-ller-plesset-perturbation-theory-1609.00430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-effective-rotational-and-rovibrational-hamiltonians-for-non-rigid-systems-via-curvilinear-second-order-vibrational-m-o-ller-plesset-perturbation-theory-1609.00430"/></url>
<url><loc>https://scifaro.com/en/abs/finite-temperature-second-order-many-body-perturbation-theory-revisited-1609.00492</loc><lastmod>2016-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finite-temperature-second-order-many-body-perturbation-theory-revisited-1609.00492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finite-temperature-second-order-many-body-perturbation-theory-revisited-1609.00492"/></url>
<url><loc>https://scifaro.com/en/abs/chemoselective-reactivity-of-bifunctional-cyclooctynes-on-si-001-1609.00529</loc><lastmod>2017-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemoselective-reactivity-of-bifunctional-cyclooctynes-on-si-001-1609.00529"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemoselective-reactivity-of-bifunctional-cyclooctynes-on-si-001-1609.00529"/></url>
<url><loc>https://scifaro.com/en/abs/an-analysis-of-nonadiabatic-ring-polymer-molecular-dynamics-and-its-application-to-vibronic-spectra-1609.00644</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-analysis-of-nonadiabatic-ring-polymer-molecular-dynamics-and-its-application-to-vibronic-spectra-1609.00644"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-analysis-of-nonadiabatic-ring-polymer-molecular-dynamics-and-its-application-to-vibronic-spectra-1609.00644"/></url>
<url><loc>https://scifaro.com/en/abs/localized-operator-partitioning-method-for-electronic-excitation-energies-in-the-time-dependent-density-functional-formalism-1609.01172</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/localized-operator-partitioning-method-for-electronic-excitation-energies-in-the-time-dependent-density-functional-formalism-1609.01172"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/localized-operator-partitioning-method-for-electronic-excitation-energies-in-the-time-dependent-density-functional-formalism-1609.01172"/></url>
<url><loc>https://scifaro.com/en/abs/chemistry-in-confined-spaces-reactivity-of-the-zn-mof-74-channels-1609.01201</loc><lastmod>2016-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemistry-in-confined-spaces-reactivity-of-the-zn-mof-74-channels-1609.01201"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemistry-in-confined-spaces-reactivity-of-the-zn-mof-74-channels-1609.01201"/></url>
<url><loc>https://scifaro.com/en/abs/quasiperiodic-frank-kasper-phases-derived-from-the-square-triangle-dodecagonal-tiling-1609.01624</loc><lastmod>2016-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasiperiodic-frank-kasper-phases-derived-from-the-square-triangle-dodecagonal-tiling-1609.01624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasiperiodic-frank-kasper-phases-derived-from-the-square-triangle-dodecagonal-tiling-1609.01624"/></url>
<url><loc>https://scifaro.com/en/abs/modelling-of-c2-addition-route-to-the-formation-of-c60-1609.01947</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modelling-of-c2-addition-route-to-the-formation-of-c60-1609.01947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modelling-of-c2-addition-route-to-the-formation-of-c60-1609.01947"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-ignition-revisited-with-two-dimensional-molecular-dynamics-role-of-fluctuations-in-activated-collisions-1609.02458</loc><lastmod>2016-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-ignition-revisited-with-two-dimensional-molecular-dynamics-role-of-fluctuations-in-activated-collisions-1609.02458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-ignition-revisited-with-two-dimensional-molecular-dynamics-role-of-fluctuations-in-activated-collisions-1609.02458"/></url>
<url><loc>https://scifaro.com/en/abs/self-interaction-effects-on-charge-transfer-collisions-1609.02575</loc><lastmod>2017-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-interaction-effects-on-charge-transfer-collisions-1609.02575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-interaction-effects-on-charge-transfer-collisions-1609.02575"/></url>
<url><loc>https://scifaro.com/en/abs/measuring-multi-configurational-character-by-orbital-entanglement-1609.02617</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-multi-configurational-character-by-orbital-entanglement-1609.02617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-multi-configurational-character-by-orbital-entanglement-1609.02617"/></url>
<url><loc>https://scifaro.com/en/abs/a-nonorthogonal-state-interaction-approach-for-matrix-product-state-wave-functions-1609.02684</loc><lastmod>2017-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-nonorthogonal-state-interaction-approach-for-matrix-product-state-wave-functions-1609.02684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-nonorthogonal-state-interaction-approach-for-matrix-product-state-wave-functions-1609.02684"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-selective-single-molecule-excitation-and-spectroscopy-based-on-plasmon-exciton-coupling-1609.02701</loc><lastmod>2017-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-selective-single-molecule-excitation-and-spectroscopy-based-on-plasmon-exciton-coupling-1609.02701"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-selective-single-molecule-excitation-and-spectroscopy-based-on-plasmon-exciton-coupling-1609.02701"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-accuracy-of-the-mb-pol-many-body-potential-for-water-interaction-energies-vibrational-frequencies-and-classical-thermodynamic-and-dynamical-properties-from-clusters-to-liquid-water-and-ice-1609.02884</loc><lastmod>2016-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-accuracy-of-the-mb-pol-many-body-potential-for-water-interaction-energies-vibrational-frequencies-and-classical-thermodynamic-and-dynamical-properties-from-clusters-to-liquid-water-and-ice-1609.02884"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-accuracy-of-the-mb-pol-many-body-potential-for-water-interaction-energies-vibrational-frequencies-and-classical-thermodynamic-and-dynamical-properties-from-clusters-to-liquid-water-and-ice-1609.02884"/></url>
<url><loc>https://scifaro.com/en/abs/behavior-of-aqueous-tetrabutylammonium-bromide-a-combined-approach-of-microscopic-simulation-and-neutron-scattering-1609.02929</loc><lastmod>2016-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/behavior-of-aqueous-tetrabutylammonium-bromide-a-combined-approach-of-microscopic-simulation-and-neutron-scattering-1609.02929"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/behavior-of-aqueous-tetrabutylammonium-bromide-a-combined-approach-of-microscopic-simulation-and-neutron-scattering-1609.02929"/></url>
<url><loc>https://scifaro.com/en/abs/creating-new-layered-structures-at-high-pressures-sis-2-1609.03066</loc><lastmod>2016-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/creating-new-layered-structures-at-high-pressures-sis-2-1609.03066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/creating-new-layered-structures-at-high-pressures-sis-2-1609.03066"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-coarse-graining-enhances-the-predictive-power-of-molecular-simulation-allowing-challenges-in-water-physics-to-be-addressed-1609.03077</loc><lastmod>2016-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-coarse-graining-enhances-the-predictive-power-of-molecular-simulation-allowing-challenges-in-water-physics-to-be-addressed-1609.03077"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-coarse-graining-enhances-the-predictive-power-of-molecular-simulation-allowing-challenges-in-water-physics-to-be-addressed-1609.03077"/></url>
<url><loc>https://scifaro.com/en/abs/structure-hydrolysis-and-diffusion-of-aqueous-vanadium-ions-from-car-parrinello-molecular-dynamics-1609.03463</loc><lastmod>2016-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-hydrolysis-and-diffusion-of-aqueous-vanadium-ions-from-car-parrinello-molecular-dynamics-1609.03463"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-hydrolysis-and-diffusion-of-aqueous-vanadium-ions-from-car-parrinello-molecular-dynamics-1609.03463"/></url>
<url><loc>https://scifaro.com/en/abs/combining-internally-contracted-states-and-matrix-product-states-to-perform-multireference-perturbation-theory-1609.03496</loc><lastmod>2016-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-internally-contracted-states-and-matrix-product-states-to-perform-multireference-perturbation-theory-1609.03496"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-internally-contracted-states-and-matrix-product-states-to-perform-multireference-perturbation-theory-1609.03496"/></url>
<url><loc>https://scifaro.com/en/abs/exploiting-receptors-competition-to-enhance-nanoparticles-binding-selectivity-1609.03510</loc><lastmod>2017-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploiting-receptors-competition-to-enhance-nanoparticles-binding-selectivity-1609.03510"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploiting-receptors-competition-to-enhance-nanoparticles-binding-selectivity-1609.03510"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-herzberg-teller-vibronic-coupling-on-coherent-excitation-energy-transfer-1609.03685</loc><lastmod>2016-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-herzberg-teller-vibronic-coupling-on-coherent-excitation-energy-transfer-1609.03685"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-herzberg-teller-vibronic-coupling-on-coherent-excitation-energy-transfer-1609.03685"/></url>
<url><loc>https://scifaro.com/en/abs/convergence-of-coupled-cluster-perturbation-theory-1609.03945</loc><lastmod>2017-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/convergence-of-coupled-cluster-perturbation-theory-1609.03945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/convergence-of-coupled-cluster-perturbation-theory-1609.03945"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-supramolecular-architectures-of-bent-shaped-pyridine-derivatives-from-a-three-ring-crystalline-compound-towards-five-ring-mesogens-1609.04215</loc><lastmod>2016-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-supramolecular-architectures-of-bent-shaped-pyridine-derivatives-from-a-three-ring-crystalline-compound-towards-five-ring-mesogens-1609.04215"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-supramolecular-architectures-of-bent-shaped-pyridine-derivatives-from-a-three-ring-crystalline-compound-towards-five-ring-mesogens-1609.04215"/></url>
<url><loc>https://scifaro.com/en/abs/bias-cancellation-in-one-determinant-fixed-node-diffusion-monte-carlo-insights-from-fermionic-occupation-numbers-1609.04294</loc><lastmod>2017-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bias-cancellation-in-one-determinant-fixed-node-diffusion-monte-carlo-insights-from-fermionic-occupation-numbers-1609.04294"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bias-cancellation-in-one-determinant-fixed-node-diffusion-monte-carlo-insights-from-fermionic-occupation-numbers-1609.04294"/></url>
<url><loc>https://scifaro.com/en/abs/analyzing-signal-attenuation-in-pfg-anomalous-diffusion-via-a-non-gaussian-phase-distribution-approximation-approach-by-fractional-derivatives-1609.04370</loc><lastmod>2016-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analyzing-signal-attenuation-in-pfg-anomalous-diffusion-via-a-non-gaussian-phase-distribution-approximation-approach-by-fractional-derivatives-1609.04370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analyzing-signal-attenuation-in-pfg-anomalous-diffusion-via-a-non-gaussian-phase-distribution-approximation-approach-by-fractional-derivatives-1609.04370"/></url>
<url><loc>https://scifaro.com/en/abs/analyzing-signal-attenuation-in-pfg-anomalous-diffusion-via-a-modified-gaussian-phase-distribution-approximation-based-on-fractal-derivative-model-1609.04658</loc><lastmod>2016-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analyzing-signal-attenuation-in-pfg-anomalous-diffusion-via-a-modified-gaussian-phase-distribution-approximation-based-on-fractal-derivative-model-1609.04658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analyzing-signal-attenuation-in-pfg-anomalous-diffusion-via-a-modified-gaussian-phase-distribution-approximation-based-on-fractal-derivative-model-1609.04658"/></url>
<url><loc>https://scifaro.com/en/abs/benchmark-of-gw-approaches-for-the-gw100-testset-1609.04665</loc><lastmod>2018-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmark-of-gw-approaches-for-the-gw100-testset-1609.04665"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmark-of-gw-approaches-for-the-gw100-testset-1609.04665"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-the-ion-coordination-number-on-cation-exchange-reactions-with-copper-telluride-nanocrystals-1609.04678</loc><lastmod>2016-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-the-ion-coordination-number-on-cation-exchange-reactions-with-copper-telluride-nanocrystals-1609.04678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-the-ion-coordination-number-on-cation-exchange-reactions-with-copper-telluride-nanocrystals-1609.04678"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-stability-and-anisotropic-sublimation-of-two-dimensional-colloidal-bi2te3-and-bi2se3-nanocrystals-1609.04999</loc><lastmod>2016-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-stability-and-anisotropic-sublimation-of-two-dimensional-colloidal-bi2te3-and-bi2se3-nanocrystals-1609.04999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-stability-and-anisotropic-sublimation-of-two-dimensional-colloidal-bi2te3-and-bi2se3-nanocrystals-1609.04999"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-calculations-to-support-accurate-modelling-of-the-rovibronic-spectroscopy-calculations-of-vanadium-monoxide-vo-1609.05073</loc><lastmod>2016-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-calculations-to-support-accurate-modelling-of-the-rovibronic-spectroscopy-calculations-of-vanadium-monoxide-vo-1609.05073"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-calculations-to-support-accurate-modelling-of-the-rovibronic-spectroscopy-calculations-of-vanadium-monoxide-vo-1609.05073"/></url>
<url><loc>https://scifaro.com/en/abs/colloidal-cufes2-nanocrystals-intermediate-fe-d-band-leads-to-high-photothermal-conversion-efficiency-1609.05076</loc><lastmod>2016-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/colloidal-cufes2-nanocrystals-intermediate-fe-d-band-leads-to-high-photothermal-conversion-efficiency-1609.05076"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/colloidal-cufes2-nanocrystals-intermediate-fe-d-band-leads-to-high-photothermal-conversion-efficiency-1609.05076"/></url>
<url><loc>https://scifaro.com/en/abs/long-term-stability-and-reproducibility-of-magnetic-colloids-are-key-issues-for-steady-values-of-specific-power-absorption-through-time-1609.05172</loc><lastmod>2016-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-term-stability-and-reproducibility-of-magnetic-colloids-are-key-issues-for-steady-values-of-specific-power-absorption-through-time-1609.05172"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-term-stability-and-reproducibility-of-magnetic-colloids-are-key-issues-for-steady-values-of-specific-power-absorption-through-time-1609.05172"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-communication-simple-and-accurate-uniform-electron-gas-correlation-energy-for-the-full-range-of-densities-j-chem-phys-145-021101-2016-1609.05408</loc><lastmod>2016-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-communication-simple-and-accurate-uniform-electron-gas-correlation-energy-for-the-full-range-of-densities-j-chem-phys-145-021101-2016-1609.05408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-communication-simple-and-accurate-uniform-electron-gas-correlation-energy-for-the-full-range-of-densities-j-chem-phys-145-021101-2016-1609.05408"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-gold-single-crystals-incorporating-amino-acids-1609.05439</loc><lastmod>2016-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-gold-single-crystals-incorporating-amino-acids-1609.05439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-gold-single-crystals-incorporating-amino-acids-1609.05439"/></url>
<url><loc>https://scifaro.com/en/abs/radiative-cooling-of-h3o-and-its-deuterated-isotopologues-1609.05659</loc><lastmod>2016-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/radiative-cooling-of-h3o-and-its-deuterated-isotopologues-1609.05659"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/radiative-cooling-of-h3o-and-its-deuterated-isotopologues-1609.05659"/></url>
<url><loc>https://scifaro.com/en/abs/the-interaction-strength-interpolation-method-for-main-group-chemistry-benchmarking-limitations-and-perspectives-1609.06045</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-interaction-strength-interpolation-method-for-main-group-chemistry-benchmarking-limitations-and-perspectives-1609.06045"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-interaction-strength-interpolation-method-for-main-group-chemistry-benchmarking-limitations-and-perspectives-1609.06045"/></url>
<url><loc>https://scifaro.com/en/abs/tunnelling-splitting-in-the-phosphine-molecule-1609.06053</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tunnelling-splitting-in-the-phosphine-molecule-1609.06053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tunnelling-splitting-in-the-phosphine-molecule-1609.06053"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-chemistry-using-the-r-matrix-method-1609.06059</loc><lastmod>2016-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-chemistry-using-the-r-matrix-method-1609.06059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-chemistry-using-the-r-matrix-method-1609.06059"/></url>
<url><loc>https://scifaro.com/en/abs/perspective-accurate-ro-vibrational-calculations-on-small-molecules-1609.06061</loc><lastmod>2016-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perspective-accurate-ro-vibrational-calculations-on-small-molecules-1609.06061"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perspective-accurate-ro-vibrational-calculations-on-small-molecules-1609.06061"/></url>
<url><loc>https://scifaro.com/en/abs/averaged-electron-collision-cross-sections-for-thermal-mixtures-of-alpha-alanine-conformers-in-the-gas-phase-1609.06162</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/averaged-electron-collision-cross-sections-for-thermal-mixtures-of-alpha-alanine-conformers-in-the-gas-phase-1609.06162"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/averaged-electron-collision-cross-sections-for-thermal-mixtures-of-alpha-alanine-conformers-in-the-gas-phase-1609.06162"/></url>
<url><loc>https://scifaro.com/en/abs/tailoring-thermal-conductivity-of-single-stranded-carbon-chain-polymers-through-atomic-mass-modification-1609.06333</loc><lastmod>2016-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tailoring-thermal-conductivity-of-single-stranded-carbon-chain-polymers-through-atomic-mass-modification-1609.06333"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tailoring-thermal-conductivity-of-single-stranded-carbon-chain-polymers-through-atomic-mass-modification-1609.06333"/></url>
<url><loc>https://scifaro.com/en/abs/fast-calculation-of-two-electron-repulsion-integrals-a-numerical-approach-1609.06633</loc><lastmod>2016-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-calculation-of-two-electron-repulsion-integrals-a-numerical-approach-1609.06633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-calculation-of-two-electron-repulsion-integrals-a-numerical-approach-1609.06633"/></url>
<url><loc>https://scifaro.com/en/abs/the-many-body-expansion-combined-with-neural-networks-1609.07072</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-many-body-expansion-combined-with-neural-networks-1609.07072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-many-body-expansion-combined-with-neural-networks-1609.07072"/></url>
<url><loc>https://scifaro.com/en/abs/tree-based-machine-learning-framework-for-predicting-ground-state-energies-of-molecules-1609.07124</loc><lastmod>2016-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tree-based-machine-learning-framework-for-predicting-ground-state-energies-of-molecules-1609.07124"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tree-based-machine-learning-framework-for-predicting-ground-state-energies-of-molecules-1609.07124"/></url>
<url><loc>https://scifaro.com/en/abs/liquid-water-through-density-functional-molecular-dynamics-plane-wave-vs-atomic-orbital-basis-sets-1609.07168</loc><lastmod>2016-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/liquid-water-through-density-functional-molecular-dynamics-plane-wave-vs-atomic-orbital-basis-sets-1609.07168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/liquid-water-through-density-functional-molecular-dynamics-plane-wave-vs-atomic-orbital-basis-sets-1609.07168"/></url>
<url><loc>https://scifaro.com/en/abs/a-real-time-extension-of-density-matrix-embedding-theory-for-non-equilibrium-electron-dynamics-1609.07678</loc><lastmod>2017-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-real-time-extension-of-density-matrix-embedding-theory-for-non-equilibrium-electron-dynamics-1609.07678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-real-time-extension-of-density-matrix-embedding-theory-for-non-equilibrium-electron-dynamics-1609.07678"/></url>
<url><loc>https://scifaro.com/en/abs/magnetic-trapping-of-cold-methyl-radicals-1609.07735</loc><lastmod>2017-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetic-trapping-of-cold-methyl-radicals-1609.07735"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetic-trapping-of-cold-methyl-radicals-1609.07735"/></url>
<url><loc>https://scifaro.com/en/abs/finite-field-methods-for-the-supercell-modelling-of-charged-insulator-electrolyte-interfaces-1609.07754</loc><lastmod>2016-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finite-field-methods-for-the-supercell-modelling-of-charged-insulator-electrolyte-interfaces-1609.07754"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finite-field-methods-for-the-supercell-modelling-of-charged-insulator-electrolyte-interfaces-1609.07754"/></url>
<url><loc>https://scifaro.com/en/abs/the-integral-screened-configuration-interaction-method-1609.07757</loc><lastmod>2016-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-integral-screened-configuration-interaction-method-1609.07757"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-integral-screened-configuration-interaction-method-1609.07757"/></url>
<url><loc>https://scifaro.com/en/abs/stereochemical-configuration-and-selective-excitation-of-the-chiral-molecule-halothane-1609.07913</loc><lastmod>2016-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stereochemical-configuration-and-selective-excitation-of-the-chiral-molecule-halothane-1609.07913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stereochemical-configuration-and-selective-excitation-of-the-chiral-molecule-halothane-1609.07913"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-and-portable-acceleration-of-quantum-chemical-many-body-methods-in-mixed-floating-point-precision-using-openacc-compiler-directives-1609.08094</loc><lastmod>2017-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-and-portable-acceleration-of-quantum-chemical-many-body-methods-in-mixed-floating-point-precision-using-openacc-compiler-directives-1609.08094"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-and-portable-acceleration-of-quantum-chemical-many-body-methods-in-mixed-floating-point-precision-using-openacc-compiler-directives-1609.08094"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemical-insights-from-deep-tensor-neural-networks-1609.08259</loc><lastmod>2017-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemical-insights-from-deep-tensor-neural-networks-1609.08259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemical-insights-from-deep-tensor-neural-networks-1609.08259"/></url>
<url><loc>https://scifaro.com/en/abs/phase-and-intensity-dependence-of-ultrafast-dynamics-in-hydrocarbon-molecules-in-few-cycle-laser-fields-1609.08577</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-and-intensity-dependence-of-ultrafast-dynamics-in-hydrocarbon-molecules-in-few-cycle-laser-fields-1609.08577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-and-intensity-dependence-of-ultrafast-dynamics-in-hydrocarbon-molecules-in-few-cycle-laser-fields-1609.08577"/></url>
<url><loc>https://scifaro.com/en/abs/intercalation-driven-porosity-effects-in-coupled-continuum-models-for-the-electrical-chemical-thermal-and-mechanical-response-of-battery-electrode-materials-1609.08944</loc><lastmod>2017-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intercalation-driven-porosity-effects-in-coupled-continuum-models-for-the-electrical-chemical-thermal-and-mechanical-response-of-battery-electrode-materials-1609.08944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intercalation-driven-porosity-effects-in-coupled-continuum-models-for-the-electrical-chemical-thermal-and-mechanical-response-of-battery-electrode-materials-1609.08944"/></url>
<url><loc>https://scifaro.com/en/abs/structural-and-optical-properties-of-pulse-laser-deposited-ag-2o-thin-films-1609.09209</loc><lastmod>2018-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-and-optical-properties-of-pulse-laser-deposited-ag-2o-thin-films-1609.09209"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-and-optical-properties-of-pulse-laser-deposited-ag-2o-thin-films-1609.09209"/></url>
<url><loc>https://scifaro.com/en/abs/lost-chapter-of-physical-chemistry-means-convergence-between-fisher-kolmogorov-equation-and-tunnel-effect-1609.09351</loc><lastmod>2016-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lost-chapter-of-physical-chemistry-means-convergence-between-fisher-kolmogorov-equation-and-tunnel-effect-1609.09351"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lost-chapter-of-physical-chemistry-means-convergence-between-fisher-kolmogorov-equation-and-tunnel-effect-1609.09351"/></url>
<url><loc>https://scifaro.com/en/abs/the-theory-of-sers-on-dielectrics-and-semiconductors-1609.09403</loc><lastmod>2017-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-theory-of-sers-on-dielectrics-and-semiconductors-1609.09403"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-theory-of-sers-on-dielectrics-and-semiconductors-1609.09403"/></url>
<url><loc>https://scifaro.com/en/abs/transition-moments-between-excited-electronic-states-from-the-hermitian-formulation-of-the-coupled-cluster-quadratic-response-function-1609.09769</loc><lastmod>2017-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-moments-between-excited-electronic-states-from-the-hermitian-formulation-of-the-coupled-cluster-quadratic-response-function-1609.09769"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-moments-between-excited-electronic-states-from-the-hermitian-formulation-of-the-coupled-cluster-quadratic-response-function-1609.09769"/></url>
<url><loc>https://scifaro.com/en/abs/ice-formation-on-kaolinite-insights-from-molecular-dynamics-simulations-1610.00051</loc><lastmod>2016-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ice-formation-on-kaolinite-insights-from-molecular-dynamics-simulations-1610.00051"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ice-formation-on-kaolinite-insights-from-molecular-dynamics-simulations-1610.00051"/></url>
<url><loc>https://scifaro.com/en/abs/protonation-enhancement-by-dichloromethane-doping-in-low-pressure-photoionization-1610.00231</loc><lastmod>2016-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/protonation-enhancement-by-dichloromethane-doping-in-low-pressure-photoionization-1610.00231"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/protonation-enhancement-by-dichloromethane-doping-in-low-pressure-photoionization-1610.00231"/></url>
<url><loc>https://scifaro.com/en/abs/amino-acid-preference-against-beta-sheet-through-allowing-backbone-hydration-enabled-by-the-presence-of-cation-1610.00375</loc><lastmod>2016-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/amino-acid-preference-against-beta-sheet-through-allowing-backbone-hydration-enabled-by-the-presence-of-cation-1610.00375"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/amino-acid-preference-against-beta-sheet-through-allowing-backbone-hydration-enabled-by-the-presence-of-cation-1610.00375"/></url>
<url><loc>https://scifaro.com/en/abs/floquet-theory-of-radical-pairs-in-radiofrequency-magnetic-fields-1610.00490</loc><lastmod>2016-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/floquet-theory-of-radical-pairs-in-radiofrequency-magnetic-fields-1610.00490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/floquet-theory-of-radical-pairs-in-radiofrequency-magnetic-fields-1610.00490"/></url>
<url><loc>https://scifaro.com/en/abs/exact-wave-packet-dynamics-of-singlet-fission-in-unsubstituted-and-substituted-polyene-chains-within-long-range-interacting-models-1610.00562</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-wave-packet-dynamics-of-singlet-fission-in-unsubstituted-and-substituted-polyene-chains-within-long-range-interacting-models-1610.00562"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-wave-packet-dynamics-of-singlet-fission-in-unsubstituted-and-substituted-polyene-chains-within-long-range-interacting-models-1610.00562"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-a-nonempirical-exchange-functional-from-the-density-matrix-expansion-comparative-study-with-different-correlation-1610.00643</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-a-nonempirical-exchange-functional-from-the-density-matrix-expansion-comparative-study-with-different-correlation-1610.00643"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-a-nonempirical-exchange-functional-from-the-density-matrix-expansion-comparative-study-with-different-correlation-1610.00643"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-fe-ni-and-cu-doping-on-the-photocatalytic-efficiency-of-zns-implications-for-prebiotic-chemistry-1610.00859</loc><lastmod>2016-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-fe-ni-and-cu-doping-on-the-photocatalytic-efficiency-of-zns-implications-for-prebiotic-chemistry-1610.00859"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-fe-ni-and-cu-doping-on-the-photocatalytic-efficiency-of-zns-implications-for-prebiotic-chemistry-1610.00859"/></url>
<url><loc>https://scifaro.com/en/abs/formation-of-the-prebiotic-molecule-nh-2-cho-on-astronomical-amorphous-solid-water-surfaces-accurate-tunneling-rate-calculations-1610.01007</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-of-the-prebiotic-molecule-nh-2-cho-on-astronomical-amorphous-solid-water-surfaces-accurate-tunneling-rate-calculations-1610.01007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-of-the-prebiotic-molecule-nh-2-cho-on-astronomical-amorphous-solid-water-surfaces-accurate-tunneling-rate-calculations-1610.01007"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-description-of-mixed-field-orientation-of-asymmetric-top-molecules-a-time-dependent-study-1610.01284</loc><lastmod>2016-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-description-of-mixed-field-orientation-of-asymmetric-top-molecules-a-time-dependent-study-1610.01284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-description-of-mixed-field-orientation-of-asymmetric-top-molecules-a-time-dependent-study-1610.01284"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-ionic-conductance-of-carbon-nanotubes-1610.01309</loc><lastmod>2019-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-ionic-conductance-of-carbon-nanotubes-1610.01309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-ionic-conductance-of-carbon-nanotubes-1610.01309"/></url>
<url><loc>https://scifaro.com/en/abs/quasiparticle-approach-to-molecules-interacting-with-quantum-solvents-1610.01604</loc><lastmod>2017-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasiparticle-approach-to-molecules-interacting-with-quantum-solvents-1610.01604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasiparticle-approach-to-molecules-interacting-with-quantum-solvents-1610.01604"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-ground-state-of-ni-2-1610.01820</loc><lastmod>2017-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-ground-state-of-ni-2-1610.01820"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-ground-state-of-ni-2-1610.01820"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-exact-exchange-in-thermally-assisted-occupation-density-functional-theory-a-proposal-of-new-hybrid-schemes-1610.02018</loc><lastmod>2017-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-exact-exchange-in-thermally-assisted-occupation-density-functional-theory-a-proposal-of-new-hybrid-schemes-1610.02018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-exact-exchange-in-thermally-assisted-occupation-density-functional-theory-a-proposal-of-new-hybrid-schemes-1610.02018"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-heat-capacity-of-liquids-at-high-temperatures-1610.02314</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-heat-capacity-of-liquids-at-high-temperatures-1610.02314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-heat-capacity-of-liquids-at-high-temperatures-1610.02314"/></url>
<url><loc>https://scifaro.com/en/abs/relating-chromophoric-and-structural-disorder-in-conjugated-polymers-1610.02604</loc><lastmod>2017-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relating-chromophoric-and-structural-disorder-in-conjugated-polymers-1610.02604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relating-chromophoric-and-structural-disorder-in-conjugated-polymers-1610.02604"/></url>
<url><loc>https://scifaro.com/en/abs/finding-dominant-transition-pathways-via-global-optimization-of-action-1610.02652</loc><lastmod>2017-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finding-dominant-transition-pathways-via-global-optimization-of-action-1610.02652"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finding-dominant-transition-pathways-via-global-optimization-of-action-1610.02652"/></url>
<url><loc>https://scifaro.com/en/abs/higher-lying-resonances-in-low-energy-electron-scattering-with-carbon-monoxide-1610.02665</loc><lastmod>2016-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/higher-lying-resonances-in-low-energy-electron-scattering-with-carbon-monoxide-1610.02665"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/higher-lying-resonances-in-low-energy-electron-scattering-with-carbon-monoxide-1610.02665"/></url>
<url><loc>https://scifaro.com/en/abs/nonequilibrium-steady-state-of-biochemical-cycle-kinetics-under-non-isothermal-conditions-1610.02756</loc><lastmod>2016-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonequilibrium-steady-state-of-biochemical-cycle-kinetics-under-non-isothermal-conditions-1610.02756"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonequilibrium-steady-state-of-biochemical-cycle-kinetics-under-non-isothermal-conditions-1610.02756"/></url>
<url><loc>https://scifaro.com/en/abs/nernst-planck-transport-theory-for-reverse-electrodialysis-ii-effect-of-water-transport-through-ion-exchange-membranes-1610.02833</loc><lastmod>2019-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nernst-planck-transport-theory-for-reverse-electrodialysis-ii-effect-of-water-transport-through-ion-exchange-membranes-1610.02833"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nernst-planck-transport-theory-for-reverse-electrodialysis-ii-effect-of-water-transport-through-ion-exchange-membranes-1610.02833"/></url>
<url><loc>https://scifaro.com/en/abs/a-highly-accurate-it-ab-initio-potential-energy-surface-for-methane-1610.03271</loc><lastmod>2016-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-highly-accurate-it-ab-initio-potential-energy-surface-for-methane-1610.03271"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-highly-accurate-it-ab-initio-potential-energy-surface-for-methane-1610.03271"/></url>
<url><loc>https://scifaro.com/en/abs/comparison-of-different-eigensolvers-for-calculating-vibrational-spectra-using-low-rank-sum-of-product-basis-functions-1610.03386</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparison-of-different-eigensolvers-for-calculating-vibrational-spectra-using-low-rank-sum-of-product-basis-functions-1610.03386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparison-of-different-eigensolvers-for-calculating-vibrational-spectra-using-low-rank-sum-of-product-basis-functions-1610.03386"/></url>
<url><loc>https://scifaro.com/en/abs/the-particle-hole-map-formal-derivation-and-numerical-implementation-1610.04204</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-particle-hole-map-formal-derivation-and-numerical-implementation-1610.04204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-particle-hole-map-formal-derivation-and-numerical-implementation-1610.04204"/></url>
<url><loc>https://scifaro.com/en/abs/approximate-but-accurate-quantum-dynamics-from-the-mori-formalism-ii-equilibrium-correlation-functions-1610.04242</loc><lastmod>2017-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximate-but-accurate-quantum-dynamics-from-the-mori-formalism-ii-equilibrium-correlation-functions-1610.04242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximate-but-accurate-quantum-dynamics-from-the-mori-formalism-ii-equilibrium-correlation-functions-1610.04242"/></url>
<url><loc>https://scifaro.com/en/abs/path-integral-approach-to-the-wigner-representation-of-canonical-density-operators-for-discrete-systems-coupled-to-harmonic-baths-1610.04243</loc><lastmod>2017-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/path-integral-approach-to-the-wigner-representation-of-canonical-density-operators-for-discrete-systems-coupled-to-harmonic-baths-1610.04243"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/path-integral-approach-to-the-wigner-representation-of-canonical-density-operators-for-discrete-systems-coupled-to-harmonic-baths-1610.04243"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-calculation-of-second-order-magnetic-properties-using-subsystem-approaches-in-the-relativistic-framework-1610.04280</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-calculation-of-second-order-magnetic-properties-using-subsystem-approaches-in-the-relativistic-framework-1610.04280"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-calculation-of-second-order-magnetic-properties-using-subsystem-approaches-in-the-relativistic-framework-1610.04280"/></url>
<url><loc>https://scifaro.com/en/abs/membraneless-flow-battery-leveraging-flow-through-heterogeneous-porous-media-for-improved-power-density-and-reduced-crossover-1610.04338</loc><lastmod>2016-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/membraneless-flow-battery-leveraging-flow-through-heterogeneous-porous-media-for-improved-power-density-and-reduced-crossover-1610.04338"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/membraneless-flow-battery-leveraging-flow-through-heterogeneous-porous-media-for-improved-power-density-and-reduced-crossover-1610.04338"/></url>
<url><loc>https://scifaro.com/en/abs/the-dna-nucleobase-thymine-in-motion-intersystem-crossing-simulated-with-surface-hopping-1610.04436</loc><lastmod>2016-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-dna-nucleobase-thymine-in-motion-intersystem-crossing-simulated-with-surface-hopping-1610.04436"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-dna-nucleobase-thymine-in-motion-intersystem-crossing-simulated-with-surface-hopping-1610.04436"/></url>
<url><loc>https://scifaro.com/en/abs/solvation-of-mg-in-helium-4-are-there-meta-stable-mg-dimers-1610.04556</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvation-of-mg-in-helium-4-are-there-meta-stable-mg-dimers-1610.04556"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvation-of-mg-in-helium-4-are-there-meta-stable-mg-dimers-1610.04556"/></url>
<url><loc>https://scifaro.com/en/abs/vibration-induced-coherence-enhancement-of-the-performance-of-a-biological-quantum-heat-engine-1610.04720</loc><lastmod>2016-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibration-induced-coherence-enhancement-of-the-performance-of-a-biological-quantum-heat-engine-1610.04720"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibration-induced-coherence-enhancement-of-the-performance-of-a-biological-quantum-heat-engine-1610.04720"/></url>
<url><loc>https://scifaro.com/en/abs/electron-correlation-by-polarization-of-interacting-densities-1610.04921</loc><lastmod>2022-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-correlation-by-polarization-of-interacting-densities-1610.04921"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-correlation-by-polarization-of-interacting-densities-1610.04921"/></url>
<url><loc>https://scifaro.com/en/abs/highly-spin-polarized-deuterium-atoms-from-the-uv-dissociation-of-deuterium-iodide-1610.05089</loc><lastmod>2017-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-spin-polarized-deuterium-atoms-from-the-uv-dissociation-of-deuterium-iodide-1610.05089"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-spin-polarized-deuterium-atoms-from-the-uv-dissociation-of-deuterium-iodide-1610.05089"/></url>
<url><loc>https://scifaro.com/en/abs/suspended-pt-nanoparticles-over-tio2-nanotubes-for-enhanced-photocatalytic-h2-evolution-1610.05167</loc><lastmod>2016-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/suspended-pt-nanoparticles-over-tio2-nanotubes-for-enhanced-photocatalytic-h2-evolution-1610.05167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/suspended-pt-nanoparticles-over-tio2-nanotubes-for-enhanced-photocatalytic-h2-evolution-1610.05167"/></url>
<url><loc>https://scifaro.com/en/abs/noble-metals-on-anodic-tio2-nanotubes-mouths-thermal-dewetting-of-minimal-pt-co-catalyst-loading-leads-to-significantly-enhanced-photocatalytic-h2-generation-1610.05168</loc><lastmod>2016-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noble-metals-on-anodic-tio2-nanotubes-mouths-thermal-dewetting-of-minimal-pt-co-catalyst-loading-leads-to-significantly-enhanced-photocatalytic-h2-generation-1610.05168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noble-metals-on-anodic-tio2-nanotubes-mouths-thermal-dewetting-of-minimal-pt-co-catalyst-loading-leads-to-significantly-enhanced-photocatalytic-h2-generation-1610.05168"/></url>
<url><loc>https://scifaro.com/en/abs/highly-efficient-fuel-cell-electrodes-from-few-layer-graphene-sheets-and-electrochemically-deposited-palladium-nanoparticles-1610.05169</loc><lastmod>2016-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-efficient-fuel-cell-electrodes-from-few-layer-graphene-sheets-and-electrochemically-deposited-palladium-nanoparticles-1610.05169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-efficient-fuel-cell-electrodes-from-few-layer-graphene-sheets-and-electrochemically-deposited-palladium-nanoparticles-1610.05169"/></url>
<url><loc>https://scifaro.com/en/abs/comparison-of-the-periodic-slab-approach-with-the-finite-cluster-ansatz-for-metal-organic-interfaces-at-the-example-of-ptcda-on-ag-110-1610.05509</loc><lastmod>2018-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparison-of-the-periodic-slab-approach-with-the-finite-cluster-ansatz-for-metal-organic-interfaces-at-the-example-of-ptcda-on-ag-110-1610.05509"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparison-of-the-periodic-slab-approach-with-the-finite-cluster-ansatz-for-metal-organic-interfaces-at-the-example-of-ptcda-on-ag-110-1610.05509"/></url>
<url><loc>https://scifaro.com/en/abs/fmo3-lcmo-study-of-electron-transfer-coupling-matrix-element-and-pathway-application-to-hole-transfer-between-two-triptophanes-through-cis-and-trans-polyproline-linker-systems-1610.05535</loc><lastmod>2016-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fmo3-lcmo-study-of-electron-transfer-coupling-matrix-element-and-pathway-application-to-hole-transfer-between-two-triptophanes-through-cis-and-trans-polyproline-linker-systems-1610.05535"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fmo3-lcmo-study-of-electron-transfer-coupling-matrix-element-and-pathway-application-to-hole-transfer-between-two-triptophanes-through-cis-and-trans-polyproline-linker-systems-1610.05535"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-entropy-on-the-nucleation-of-cavitation-bubbles-in-water-under-tension-1610.05585</loc><lastmod>2016-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-entropy-on-the-nucleation-of-cavitation-bubbles-in-water-under-tension-1610.05585"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-entropy-on-the-nucleation-of-cavitation-bubbles-in-water-under-tension-1610.05585"/></url>
<url><loc>https://scifaro.com/en/abs/back-to-the-origins-using-matrix-functions-of-h-uckel-hamiltonian-for-quantum-interference-1610.06422</loc><lastmod>2016-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/back-to-the-origins-using-matrix-functions-of-h-uckel-hamiltonian-for-quantum-interference-1610.06422"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/back-to-the-origins-using-matrix-functions-of-h-uckel-hamiltonian-for-quantum-interference-1610.06422"/></url>
<url><loc>https://scifaro.com/en/abs/conical-shaped-titania-nanotubes-for-optimized-light-management-in-dsscs-reach-back-side-illumination-efficiencies-8-1610.06437</loc><lastmod>2016-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conical-shaped-titania-nanotubes-for-optimized-light-management-in-dsscs-reach-back-side-illumination-efficiencies-8-1610.06437"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conical-shaped-titania-nanotubes-for-optimized-light-management-in-dsscs-reach-back-side-illumination-efficiencies-8-1610.06437"/></url>
<url><loc>https://scifaro.com/en/abs/tio2-nanotubes-n-ion-implantation-at-low-dose-provides-noble-metal-free-photocatalytic-h2-evolution-activity-1610.06562</loc><lastmod>2016-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tio2-nanotubes-n-ion-implantation-at-low-dose-provides-noble-metal-free-photocatalytic-h2-evolution-activity-1610.06562"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tio2-nanotubes-n-ion-implantation-at-low-dose-provides-noble-metal-free-photocatalytic-h2-evolution-activity-1610.06562"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogenated-anatase-strong-photocatalytic-h2-evolution-without-the-use-of-a-co-catalyst-1610.06564</loc><lastmod>2016-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogenated-anatase-strong-photocatalytic-h2-evolution-without-the-use-of-a-co-catalyst-1610.06564"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogenated-anatase-strong-photocatalytic-h2-evolution-without-the-use-of-a-co-catalyst-1610.06564"/></url>
<url><loc>https://scifaro.com/en/abs/semistochastic-heat-bath-configuration-interaction-method-selected-configuration-interaction-with-semistochastic-perturbation-theory-1610.06660</loc><lastmod>2017-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semistochastic-heat-bath-configuration-interaction-method-selected-configuration-interaction-with-semistochastic-perturbation-theory-1610.06660"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semistochastic-heat-bath-configuration-interaction-method-selected-configuration-interaction-with-semistochastic-perturbation-theory-1610.06660"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-cation-diffusion-and-suppressing-anion-diffusion-via-lewis-acidic-polymer-electrolytes-1610.06838</loc><lastmod>2017-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-cation-diffusion-and-suppressing-anion-diffusion-via-lewis-acidic-polymer-electrolytes-1610.06838"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-cation-diffusion-and-suppressing-anion-diffusion-via-lewis-acidic-polymer-electrolytes-1610.06838"/></url>
<url><loc>https://scifaro.com/en/abs/mobility-limited-polyarylamine-biscarbonate-ester-pabc-6-6-phenyl-c-61-butyric-acid-methyl-ester-pcbm-bulk-heterojunction-photovoltaic-device-1610.06868</loc><lastmod>2016-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mobility-limited-polyarylamine-biscarbonate-ester-pabc-6-6-phenyl-c-61-butyric-acid-methyl-ester-pcbm-bulk-heterojunction-photovoltaic-device-1610.06868"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mobility-limited-polyarylamine-biscarbonate-ester-pabc-6-6-phenyl-c-61-butyric-acid-methyl-ester-pcbm-bulk-heterojunction-photovoltaic-device-1610.06868"/></url>
<url><loc>https://scifaro.com/en/abs/optical-properties-of-synthetic-cannabinoids-with-negative-indexes-1610.06921</loc><lastmod>2017-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-properties-of-synthetic-cannabinoids-with-negative-indexes-1610.06921"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-properties-of-synthetic-cannabinoids-with-negative-indexes-1610.06921"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-study-of-rigid-polyurethane-foams-thermal-decomposition-by-artificial-neural-network-1610.06944</loc><lastmod>2016-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-study-of-rigid-polyurethane-foams-thermal-decomposition-by-artificial-neural-network-1610.06944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-study-of-rigid-polyurethane-foams-thermal-decomposition-by-artificial-neural-network-1610.06944"/></url>
<url><loc>https://scifaro.com/en/abs/indirect-interactions-between-proton-donors-separated-by-several-hydrogen-bonds-1610.07234</loc><lastmod>2016-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/indirect-interactions-between-proton-donors-separated-by-several-hydrogen-bonds-1610.07234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/indirect-interactions-between-proton-donors-separated-by-several-hydrogen-bonds-1610.07234"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-rate-coefficients-for-the-astrochemical-process-c-ch-to-c-2-h-by-ring-polymer-molecular-dynamics-1610.07305</loc><lastmod>2017-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-rate-coefficients-for-the-astrochemical-process-c-ch-to-c-2-h-by-ring-polymer-molecular-dynamics-1610.07305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-rate-coefficients-for-the-astrochemical-process-c-ch-to-c-2-h-by-ring-polymer-molecular-dynamics-1610.07305"/></url>
<url><loc>https://scifaro.com/en/abs/visible-absorptions-of-potential-diffuse-ism-hydrocarbons-c-9-h-9-and-c-9-h-5-radicals-1610.07318</loc><lastmod>2016-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visible-absorptions-of-potential-diffuse-ism-hydrocarbons-c-9-h-9-and-c-9-h-5-radicals-1610.07318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visible-absorptions-of-potential-diffuse-ism-hydrocarbons-c-9-h-9-and-c-9-h-5-radicals-1610.07318"/></url>
<url><loc>https://scifaro.com/en/abs/brick-by-brick-computation-of-the-gibbs-free-energy-of-reaction-in-solution-using-quantum-chemistry-and-cosmo-rs-1610.07370</loc><lastmod>2017-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/brick-by-brick-computation-of-the-gibbs-free-energy-of-reaction-in-solution-using-quantum-chemistry-and-cosmo-rs-1610.07370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/brick-by-brick-computation-of-the-gibbs-free-energy-of-reaction-in-solution-using-quantum-chemistry-and-cosmo-rs-1610.07370"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-hartree-fock-exchange-calculation-using-the-turbomole-program-system-different-techniques-for-different-purposes-1610.07779</loc><lastmod>2016-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-hartree-fock-exchange-calculation-using-the-turbomole-program-system-different-techniques-for-different-purposes-1610.07779"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-hartree-fock-exchange-calculation-using-the-turbomole-program-system-different-techniques-for-different-purposes-1610.07779"/></url>
<url><loc>https://scifaro.com/en/abs/optimized-long-range-corrected-density-functionals-for-electronic-and-optical-properties-of-bare-and-ligated-cdse-quantum-dots-1610.07878</loc><lastmod>2016-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimized-long-range-corrected-density-functionals-for-electronic-and-optical-properties-of-bare-and-ligated-cdse-quantum-dots-1610.07878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimized-long-range-corrected-density-functionals-for-electronic-and-optical-properties-of-bare-and-ligated-cdse-quantum-dots-1610.07878"/></url>
<url><loc>https://scifaro.com/en/abs/colloidal-synthesis-of-strongly-fluorescent-cspbbr3-nanowires-with-width-tunable-down-to-the-quantum-confinement-regime-1610.07909</loc><lastmod>2016-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/colloidal-synthesis-of-strongly-fluorescent-cspbbr3-nanowires-with-width-tunable-down-to-the-quantum-confinement-regime-1610.07909"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/colloidal-synthesis-of-strongly-fluorescent-cspbbr3-nanowires-with-width-tunable-down-to-the-quantum-confinement-regime-1610.07909"/></url>
<url><loc>https://scifaro.com/en/abs/black-tio2-nanotubes-formed-by-high-energy-proton-implantation-show-noble-metal-co-catalyst-free-photocatalytic-h2-evolution-1610.08044</loc><lastmod>2016-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/black-tio2-nanotubes-formed-by-high-energy-proton-implantation-show-noble-metal-co-catalyst-free-photocatalytic-h2-evolution-1610.08044"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/black-tio2-nanotubes-formed-by-high-energy-proton-implantation-show-noble-metal-co-catalyst-free-photocatalytic-h2-evolution-1610.08044"/></url>
<url><loc>https://scifaro.com/en/abs/laser-coolable-polyatomic-molecules-with-heavy-nuclei-1610.08243</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-coolable-polyatomic-molecules-with-heavy-nuclei-1610.08243"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-coolable-polyatomic-molecules-with-heavy-nuclei-1610.08243"/></url>
<url><loc>https://scifaro.com/en/abs/single-molecule-surface-enhanced-raman-scattering-spectrum-of-non-resonant-aromatic-amine-showing-raman-forbidden-bands-1610.08270</loc><lastmod>2016-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/single-molecule-surface-enhanced-raman-scattering-spectrum-of-non-resonant-aromatic-amine-showing-raman-forbidden-bands-1610.08270"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/single-molecule-surface-enhanced-raman-scattering-spectrum-of-non-resonant-aromatic-amine-showing-raman-forbidden-bands-1610.08270"/></url>
<url><loc>https://scifaro.com/en/abs/a-general-second-order-complete-active-space-self-consistent-field-solver-for-large-scale-systems-1610.08394</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-general-second-order-complete-active-space-self-consistent-field-solver-for-large-scale-systems-1610.08394"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-general-second-order-complete-active-space-self-consistent-field-solver-for-large-scale-systems-1610.08394"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-bonding-in-the-protic-ionic-liquid-triethylammonium-nitrate-explored-by-density-functional-tight-binding-simulations-1610.08406</loc><lastmod>2017-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-bonding-in-the-protic-ionic-liquid-triethylammonium-nitrate-explored-by-density-functional-tight-binding-simulations-1610.08406"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-bonding-in-the-protic-ionic-liquid-triethylammonium-nitrate-explored-by-density-functional-tight-binding-simulations-1610.08406"/></url>
<url><loc>https://scifaro.com/en/abs/co-iterative-augmented-hessian-method-for-orbital-optimization-1610.08423</loc><lastmod>2017-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/co-iterative-augmented-hessian-method-for-orbital-optimization-1610.08423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/co-iterative-augmented-hessian-method-for-orbital-optimization-1610.08423"/></url>
<url><loc>https://scifaro.com/en/abs/probing-ultrafast-pi-pi-n-pi-internal-conversion-in-organic-chromophores-via-k-edge-resonant-absorption-1610.08498</loc><lastmod>2017-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-ultrafast-pi-pi-n-pi-internal-conversion-in-organic-chromophores-via-k-edge-resonant-absorption-1610.08498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-ultrafast-pi-pi-n-pi-internal-conversion-in-organic-chromophores-via-k-edge-resonant-absorption-1610.08498"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-reference-data-for-the-non-additive-non-interacting-kinetic-energy-in-covalent-bonds-1610.08576</loc><lastmod>2016-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-reference-data-for-the-non-additive-non-interacting-kinetic-energy-in-covalent-bonds-1610.08576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-reference-data-for-the-non-additive-non-interacting-kinetic-energy-in-covalent-bonds-1610.08576"/></url>
<url><loc>https://scifaro.com/en/abs/smooth-models-for-the-coulomb-potential-1610.08730</loc><lastmod>2016-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/smooth-models-for-the-coulomb-potential-1610.08730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/smooth-models-for-the-coulomb-potential-1610.08730"/></url>
<url><loc>https://scifaro.com/en/abs/partition-dft-on-the-water-dimer-1610.08787</loc><lastmod>2017-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/partition-dft-on-the-water-dimer-1610.08787"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/partition-dft-on-the-water-dimer-1610.08787"/></url>
<url><loc>https://scifaro.com/en/abs/ani-1-an-extensible-neural-network-potential-with-dft-accuracy-at-force-field-computational-cost-1610.08935</loc><lastmod>2017-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ani-1-an-extensible-neural-network-potential-with-dft-accuracy-at-force-field-computational-cost-1610.08935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ani-1-an-extensible-neural-network-potential-with-dft-accuracy-at-force-field-computational-cost-1610.08935"/></url>
<url><loc>https://scifaro.com/en/abs/the-hydration-structure-of-carbon-monoxide-by-ab-initio-methods-1610.09046</loc><lastmod>2017-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-hydration-structure-of-carbon-monoxide-by-ab-initio-methods-1610.09046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-hydration-structure-of-carbon-monoxide-by-ab-initio-methods-1610.09046"/></url>
<url><loc>https://scifaro.com/en/abs/importance-of-local-exact-exchange-potential-in-hybrid-functionals-for-accurate-excited-states-1610.09113</loc><lastmod>2017-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/importance-of-local-exact-exchange-potential-in-hybrid-functionals-for-accurate-excited-states-1610.09113"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/importance-of-local-exact-exchange-potential-in-hybrid-functionals-for-accurate-excited-states-1610.09113"/></url>
<url><loc>https://scifaro.com/en/abs/inchworm-monte-carlo-for-exact-non-adiabatic-dynamics-ii-benchmarks-and-comparison-with-established-methods-1610.09402</loc><lastmod>2017-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inchworm-monte-carlo-for-exact-non-adiabatic-dynamics-ii-benchmarks-and-comparison-with-established-methods-1610.09402"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inchworm-monte-carlo-for-exact-non-adiabatic-dynamics-ii-benchmarks-and-comparison-with-established-methods-1610.09402"/></url>
<url><loc>https://scifaro.com/en/abs/calculated-low-energy-electron-impact-vibrational-excitation-cross-sections-for-co2-molecule-1610.09532</loc><lastmod>2016-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculated-low-energy-electron-impact-vibrational-excitation-cross-sections-for-co2-molecule-1610.09532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculated-low-energy-electron-impact-vibrational-excitation-cross-sections-for-co2-molecule-1610.09532"/></url>
<url><loc>https://scifaro.com/en/abs/inchworm-monte-carlo-for-exact-non-adiabatic-dynamics-i-theory-and-algorithms-1610.09566</loc><lastmod>2017-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inchworm-monte-carlo-for-exact-non-adiabatic-dynamics-i-theory-and-algorithms-1610.09566"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inchworm-monte-carlo-for-exact-non-adiabatic-dynamics-i-theory-and-algorithms-1610.09566"/></url>
<url><loc>https://scifaro.com/en/abs/definitive-ideal-gas-thermochemical-functions-of-the-h-2-16-o-molecule-1611.00324</loc><lastmod>2017-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/definitive-ideal-gas-thermochemical-functions-of-the-h-2-16-o-molecule-1611.00324"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/definitive-ideal-gas-thermochemical-functions-of-the-h-2-16-o-molecule-1611.00324"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-system-bath-coupling-on-photosynthetic-heat-engine-a-polaron-master-equation-approach-1611.00612</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-system-bath-coupling-on-photosynthetic-heat-engine-a-polaron-master-equation-approach-1611.00612"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-system-bath-coupling-on-photosynthetic-heat-engine-a-polaron-master-equation-approach-1611.00612"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-interatomic-forces-in-the-random-phase-approximation-1611.00689</loc><lastmod>2017-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-interatomic-forces-in-the-random-phase-approximation-1611.00689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-interatomic-forces-in-the-random-phase-approximation-1611.00689"/></url>
<url><loc>https://scifaro.com/en/abs/insights-into-the-deactivation-of-5-bromouracil-after-uv-excitation-1611.01047</loc><lastmod>2017-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/insights-into-the-deactivation-of-5-bromouracil-after-uv-excitation-1611.01047"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/insights-into-the-deactivation-of-5-bromouracil-after-uv-excitation-1611.01047"/></url>
<url><loc>https://scifaro.com/en/abs/structure-related-optical-fingerprints-in-the-absorption-spectra-of-colloidal-quantum-dots-random-alloy-vs-core-shell-systems-1611.01293</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-related-optical-fingerprints-in-the-absorption-spectra-of-colloidal-quantum-dots-random-alloy-vs-core-shell-systems-1611.01293"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-related-optical-fingerprints-in-the-absorption-spectra-of-colloidal-quantum-dots-random-alloy-vs-core-shell-systems-1611.01293"/></url>
<url><loc>https://scifaro.com/en/abs/pitfalls-of-exergy-analysis-1611.01410</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pitfalls-of-exergy-analysis-1611.01410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pitfalls-of-exergy-analysis-1611.01410"/></url>
<url><loc>https://scifaro.com/en/abs/an-experimental-and-theoretical-investigation-of-the-c-1d-d2-reaction-1611.01759</loc><lastmod>2017-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-experimental-and-theoretical-investigation-of-the-c-1d-d2-reaction-1611.01759"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-experimental-and-theoretical-investigation-of-the-c-1d-d2-reaction-1611.01759"/></url>
<url><loc>https://scifaro.com/en/abs/3d-printed-beam-splitter-for-polar-neutral-molecules-1611.01792</loc><lastmod>2017-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/3d-printed-beam-splitter-for-polar-neutral-molecules-1611.01792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/3d-printed-beam-splitter-for-polar-neutral-molecules-1611.01792"/></url>
<url><loc>https://scifaro.com/en/abs/unique-catalytic-decomposition-and-reduction-of-hydrogen-peroxide-and-organic-peroxides-on-magnesia-001-promoted-by-oxide-metal-hybrid-nanostructure-1611.01897</loc><lastmod>2017-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unique-catalytic-decomposition-and-reduction-of-hydrogen-peroxide-and-organic-peroxides-on-magnesia-001-promoted-by-oxide-metal-hybrid-nanostructure-1611.01897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unique-catalytic-decomposition-and-reduction-of-hydrogen-peroxide-and-organic-peroxides-on-magnesia-001-promoted-by-oxide-metal-hybrid-nanostructure-1611.01897"/></url>
<url><loc>https://scifaro.com/en/abs/the-electronic-states-of-a-double-carbon-vacancy-defect-in-pyrene-a-model-study-for-graphene-1611.01916</loc><lastmod>2016-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-electronic-states-of-a-double-carbon-vacancy-defect-in-pyrene-a-model-study-for-graphene-1611.01916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-electronic-states-of-a-double-carbon-vacancy-defect-in-pyrene-a-model-study-for-graphene-1611.01916"/></url>
<url><loc>https://scifaro.com/en/abs/optical-properties-uv-vis-and-ftir-of-gamma-irradiated-polymethyl-methacrylate-pmma-1611.02129</loc><lastmod>2016-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-properties-uv-vis-and-ftir-of-gamma-irradiated-polymethyl-methacrylate-pmma-1611.02129"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-properties-uv-vis-and-ftir-of-gamma-irradiated-polymethyl-methacrylate-pmma-1611.02129"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-water-lilies-orienting-single-molecules-in-a-polymer-film-by-solvent-vapor-annealing-1611.02148</loc><lastmod>2016-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-water-lilies-orienting-single-molecules-in-a-polymer-film-by-solvent-vapor-annealing-1611.02148"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-water-lilies-orienting-single-molecules-in-a-polymer-film-by-solvent-vapor-annealing-1611.02148"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-solvation-free-energies-and-thermodynamics-in-polar-solvents-and-mixtures-using-a-solvation-layer-interface-condition-1611.02150</loc><lastmod>2017-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-solvation-free-energies-and-thermodynamics-in-polar-solvents-and-mixtures-using-a-solvation-layer-interface-condition-1611.02150"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-solvation-free-energies-and-thermodynamics-in-polar-solvents-and-mixtures-using-a-solvation-layer-interface-condition-1611.02150"/></url>
<url><loc>https://scifaro.com/en/abs/dissipation-of-the-excess-energy-of-the-adsorbate-thermalization-via-electron-transfer-1611.02461</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissipation-of-the-excess-energy-of-the-adsorbate-thermalization-via-electron-transfer-1611.02461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissipation-of-the-excess-energy-of-the-adsorbate-thermalization-via-electron-transfer-1611.02461"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-multi-reference-perturbation-theory-with-application-to-linearized-coupled-cluster-method-1611.02511</loc><lastmod>2017-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-multi-reference-perturbation-theory-with-application-to-linearized-coupled-cluster-method-1611.02511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-multi-reference-perturbation-theory-with-application-to-linearized-coupled-cluster-method-1611.02511"/></url>
<url><loc>https://scifaro.com/en/abs/the-integral-and-intermediate-screened-coupled-cluster-method-1611.02766</loc><lastmod>2016-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-integral-and-intermediate-screened-coupled-cluster-method-1611.02766"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-integral-and-intermediate-screened-coupled-cluster-method-1611.02766"/></url>
<url><loc>https://scifaro.com/en/abs/perturbational-treatment-of-spin-orbit-coupling-for-generally-applicable-high-level-multi-reference-methods-1611.02884</loc><lastmod>2016-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perturbational-treatment-of-spin-orbit-coupling-for-generally-applicable-high-level-multi-reference-methods-1611.02884"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perturbational-treatment-of-spin-orbit-coupling-for-generally-applicable-high-level-multi-reference-methods-1611.02884"/></url>
<url><loc>https://scifaro.com/en/abs/surface-effects-in-nucleation-1611.03140</loc><lastmod>2017-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-effects-in-nucleation-1611.03140"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-effects-in-nucleation-1611.03140"/></url>
<url><loc>https://scifaro.com/en/abs/visible-light-triggered-drug-release-from-tio2-nanotube-arrays-a-novel-controllable-antibacterial-platform-1611.03520</loc><lastmod>2016-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visible-light-triggered-drug-release-from-tio2-nanotube-arrays-a-novel-controllable-antibacterial-platform-1611.03520"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visible-light-triggered-drug-release-from-tio2-nanotube-arrays-a-novel-controllable-antibacterial-platform-1611.03520"/></url>
<url><loc>https://scifaro.com/en/abs/a-molecular-fountain-1611.03640</loc><lastmod>2016-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-molecular-fountain-1611.03640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-molecular-fountain-1611.03640"/></url>
<url><loc>https://scifaro.com/en/abs/low-rank-factorization-of-the-coulomb-integrals-for-periodic-coupled-cluster-theory-1611.03747</loc><lastmod>2017-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-rank-factorization-of-the-coulomb-integrals-for-periodic-coupled-cluster-theory-1611.03747"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-rank-factorization-of-the-coulomb-integrals-for-periodic-coupled-cluster-theory-1611.03747"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-interatomic-force-fields-via-machine-learning-with-covariant-kernels-1611.03877</loc><lastmod>2017-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-interatomic-force-fields-via-machine-learning-with-covariant-kernels-1611.03877"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-interatomic-force-fields-via-machine-learning-with-covariant-kernels-1611.03877"/></url>
<url><loc>https://scifaro.com/en/abs/pi-pi-stacking-between-polyaromatic-hydrocarbon-sheets-beyond-dispersion-interactions-1611.04154</loc><lastmod>2016-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pi-pi-stacking-between-polyaromatic-hydrocarbon-sheets-beyond-dispersion-interactions-1611.04154"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pi-pi-stacking-between-polyaromatic-hydrocarbon-sheets-beyond-dispersion-interactions-1611.04154"/></url>
<url><loc>https://scifaro.com/en/abs/nanoscale-chemical-evolution-of-silicon-negative-electrodes-characterized-by-low-loss-stem-eels-1611.04374</loc><lastmod>2016-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanoscale-chemical-evolution-of-silicon-negative-electrodes-characterized-by-low-loss-stem-eels-1611.04374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanoscale-chemical-evolution-of-silicon-negative-electrodes-characterized-by-low-loss-stem-eels-1611.04374"/></url>
<url><loc>https://scifaro.com/en/abs/topologically-correct-quantum-nonadiabatic-formalism-for-on-the-fly-dynamics-1611.04442</loc><lastmod>2016-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topologically-correct-quantum-nonadiabatic-formalism-for-on-the-fly-dynamics-1611.04442"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topologically-correct-quantum-nonadiabatic-formalism-for-on-the-fly-dynamics-1611.04442"/></url>
<url><loc>https://scifaro.com/en/abs/incorporating-nuclear-vibrational-energies-into-the-atom-in-molecules-analysis-an-analytical-study-1611.04608</loc><lastmod>2017-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/incorporating-nuclear-vibrational-energies-into-the-atom-in-molecules-analysis-an-analytical-study-1611.04608"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/incorporating-nuclear-vibrational-energies-into-the-atom-in-molecules-analysis-an-analytical-study-1611.04608"/></url>
<url><loc>https://scifaro.com/en/abs/kaiser-bessel-basis-for-the-particle-mesh-interpolation-1611.04661</loc><lastmod>2017-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kaiser-bessel-basis-for-the-particle-mesh-interpolation-1611.04661"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kaiser-bessel-basis-for-the-particle-mesh-interpolation-1611.04661"/></url>
<url><loc>https://scifaro.com/en/abs/virtual-breakdown-mechanism-field-driven-splitting-of-pure-water-for-hydrogen-production-1611.04677</loc><lastmod>2016-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/virtual-breakdown-mechanism-field-driven-splitting-of-pure-water-for-hydrogen-production-1611.04677"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/virtual-breakdown-mechanism-field-driven-splitting-of-pure-water-for-hydrogen-production-1611.04677"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-of-accurate-energy-conserving-molecular-force-fields-1611.04678</loc><lastmod>2017-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-of-accurate-energy-conserving-molecular-force-fields-1611.04678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-of-accurate-energy-conserving-molecular-force-fields-1611.04678"/></url>
<url><loc>https://scifaro.com/en/abs/site-specific-reactivity-of-ethylene-at-distorted-dangling-bond-configurations-on-si-001-1611.04733</loc><lastmod>2016-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/site-specific-reactivity-of-ethylene-at-distorted-dangling-bond-configurations-on-si-001-1611.04733"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/site-specific-reactivity-of-ethylene-at-distorted-dangling-bond-configurations-on-si-001-1611.04733"/></url>
<url><loc>https://scifaro.com/en/abs/full-and-reduced-dimensionality-instanton-calculations-of-the-tunnelling-splitting-in-the-formic-acid-dimer-1611.04816</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-and-reduced-dimensionality-instanton-calculations-of-the-tunnelling-splitting-in-the-formic-acid-dimer-1611.04816"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-and-reduced-dimensionality-instanton-calculations-of-the-tunnelling-splitting-in-the-formic-acid-dimer-1611.04816"/></url>
<url><loc>https://scifaro.com/en/abs/an-alternative-approach-to-michaelis-menten-kinetics-that-is-based-on-the-renormalization-group-comparison-with-the-perturbation-expansion-beyond-the-sqssa-1611.04886</loc><lastmod>2016-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-alternative-approach-to-michaelis-menten-kinetics-that-is-based-on-the-renormalization-group-comparison-with-the-perturbation-expansion-beyond-the-sqssa-1611.04886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-alternative-approach-to-michaelis-menten-kinetics-that-is-based-on-the-renormalization-group-comparison-with-the-perturbation-expansion-beyond-the-sqssa-1611.04886"/></url>
<url><loc>https://scifaro.com/en/abs/logic-gates-with-ion-transistors-1611.04981</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/logic-gates-with-ion-transistors-1611.04981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/logic-gates-with-ion-transistors-1611.04981"/></url>
<url><loc>https://scifaro.com/en/abs/a-time-correlation-function-approach-to-nuclear-dynamical-effects-in-x-ray-spectroscopy-1611.05025</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-time-correlation-function-approach-to-nuclear-dynamical-effects-in-x-ray-spectroscopy-1611.05025"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-time-correlation-function-approach-to-nuclear-dynamical-effects-in-x-ray-spectroscopy-1611.05025"/></url>
<url><loc>https://scifaro.com/en/abs/water-on-bn-doped-benzene-a-hard-test-for-exchange-correlation-functionals-and-the-impact-of-exact-exchange-on-weak-binding-1611.05636</loc><lastmod>2016-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-on-bn-doped-benzene-a-hard-test-for-exchange-correlation-functionals-and-the-impact-of-exact-exchange-on-weak-binding-1611.05636"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-on-bn-doped-benzene-a-hard-test-for-exchange-correlation-functionals-and-the-impact-of-exact-exchange-on-weak-binding-1611.05636"/></url>
<url><loc>https://scifaro.com/en/abs/toward-accurate-adsorption-energetics-on-clay-surfaces-1611.05683</loc><lastmod>2016-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-accurate-adsorption-energetics-on-clay-surfaces-1611.05683"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-accurate-adsorption-energetics-on-clay-surfaces-1611.05683"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-temperature-and-humidity-on-the-detection-of-benzene-vapor-by-piezoelectric-crystal-sensor-1611.05958</loc><lastmod>2016-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-temperature-and-humidity-on-the-detection-of-benzene-vapor-by-piezoelectric-crystal-sensor-1611.05958"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-temperature-and-humidity-on-the-detection-of-benzene-vapor-by-piezoelectric-crystal-sensor-1611.05958"/></url>
<url><loc>https://scifaro.com/en/abs/second-order-self-consistent-field-density-matrix-renormalization-group-1611.05972</loc><lastmod>2017-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/second-order-self-consistent-field-density-matrix-renormalization-group-1611.05972"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/second-order-self-consistent-field-density-matrix-renormalization-group-1611.05972"/></url>
<url><loc>https://scifaro.com/en/abs/study-of-complex-properties-of-binary-system-of-ethanol-methanol-at-extreme-concentrations-1611.05987</loc><lastmod>2016-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-of-complex-properties-of-binary-system-of-ethanol-methanol-at-extreme-concentrations-1611.05987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-of-complex-properties-of-binary-system-of-ethanol-methanol-at-extreme-concentrations-1611.05987"/></url>
<url><loc>https://scifaro.com/en/abs/intermolecular-orientations-in-liquid-acetonitrile-new-insights-based-on-diffraction-measurements-and-all-atom-simulations-1611.06045</loc><lastmod>2019-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intermolecular-orientations-in-liquid-acetonitrile-new-insights-based-on-diffraction-measurements-and-all-atom-simulations-1611.06045"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intermolecular-orientations-in-liquid-acetonitrile-new-insights-based-on-diffraction-measurements-and-all-atom-simulations-1611.06045"/></url>
<url><loc>https://scifaro.com/en/abs/relaxation-dynamics-in-photoexcited-chiral-molecules-studied-by-time-resolved-photoelectron-circular-dichroism-toward-chiral-femtochemistry-1611.06226</loc><lastmod>2016-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relaxation-dynamics-in-photoexcited-chiral-molecules-studied-by-time-resolved-photoelectron-circular-dichroism-toward-chiral-femtochemistry-1611.06226"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relaxation-dynamics-in-photoexcited-chiral-molecules-studied-by-time-resolved-photoelectron-circular-dichroism-toward-chiral-femtochemistry-1611.06226"/></url>
<url><loc>https://scifaro.com/en/abs/both-inter-and-intramolecular-coupling-of-o-h-groups-determine-the-vibrational-response-of-the-water-air-interface-1611.06243</loc><lastmod>2016-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/both-inter-and-intramolecular-coupling-of-o-h-groups-determine-the-vibrational-response-of-the-water-air-interface-1611.06243"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/both-inter-and-intramolecular-coupling-of-o-h-groups-determine-the-vibrational-response-of-the-water-air-interface-1611.06243"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-and-classifying-molecules-from-a-high-throughput-structural-database-1611.06246</loc><lastmod>2016-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-and-classifying-molecules-from-a-high-throughput-structural-database-1611.06246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-and-classifying-molecules-from-a-high-throughput-structural-database-1611.06246"/></url>
<url><loc>https://scifaro.com/en/abs/inverse-temperature-dependence-of-nuclear-quantum-effects-in-dna-base-pairs-1611.06250</loc><lastmod>2016-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inverse-temperature-dependence-of-nuclear-quantum-effects-in-dna-base-pairs-1611.06250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inverse-temperature-dependence-of-nuclear-quantum-effects-in-dna-base-pairs-1611.06250"/></url>
<url><loc>https://scifaro.com/en/abs/compact-and-versatile-laser-system-for-polarization-sensitive-stimulated-raman-spectroscopy-1611.06252</loc><lastmod>2017-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compact-and-versatile-laser-system-for-polarization-sensitive-stimulated-raman-spectroscopy-1611.06252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compact-and-versatile-laser-system-for-polarization-sensitive-stimulated-raman-spectroscopy-1611.06252"/></url>
<url><loc>https://scifaro.com/en/abs/mixed-quantum-classical-dynamics-using-collective-electronic-variables-a-better-alternative-to-electronic-friction-theories-1611.06525</loc><lastmod>2017-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixed-quantum-classical-dynamics-using-collective-electronic-variables-a-better-alternative-to-electronic-friction-theories-1611.06525"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixed-quantum-classical-dynamics-using-collective-electronic-variables-a-better-alternative-to-electronic-friction-theories-1611.06525"/></url>
<url><loc>https://scifaro.com/en/abs/the-importance-of-being-consistent-1611.06659</loc><lastmod>2016-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-importance-of-being-consistent-1611.06659"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-importance-of-being-consistent-1611.06659"/></url>
<url><loc>https://scifaro.com/en/abs/evidence-for-stable-square-ice-from-quantum-monte-carlo-1611.06718</loc><lastmod>2016-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evidence-for-stable-square-ice-from-quantum-monte-carlo-1611.06718"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evidence-for-stable-square-ice-from-quantum-monte-carlo-1611.06718"/></url>
<url><loc>https://scifaro.com/en/abs/stability-of-complex-biomolecular-structures-vander-waals-hydrogen-bond-cooperativity-and-nuclear-quantum-effects-1611.06742</loc><lastmod>2016-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stability-of-complex-biomolecular-structures-vander-waals-hydrogen-bond-cooperativity-and-nuclear-quantum-effects-1611.06742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stability-of-complex-biomolecular-structures-vander-waals-hydrogen-bond-cooperativity-and-nuclear-quantum-effects-1611.06742"/></url>
<url><loc>https://scifaro.com/en/abs/quartic-scaling-mp2-for-solids-a-highly-parallelized-algorithm-in-the-plane-wave-basis-1611.06797</loc><lastmod>2017-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quartic-scaling-mp2-for-solids-a-highly-parallelized-algorithm-in-the-plane-wave-basis-1611.06797"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quartic-scaling-mp2-for-solids-a-highly-parallelized-algorithm-in-the-plane-wave-basis-1611.06797"/></url>
<url><loc>https://scifaro.com/en/abs/engines-with-ideal-efficiency-and-nonzero-power-for-sublinear-transport-laws-1611.06856</loc><lastmod>2016-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/engines-with-ideal-efficiency-and-nonzero-power-for-sublinear-transport-laws-1611.06856"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/engines-with-ideal-efficiency-and-nonzero-power-for-sublinear-transport-laws-1611.06856"/></url>
<url><loc>https://scifaro.com/en/abs/heterodyne-detected-ultrafast-x-ray-diffraction-and-scattering-from-nonstationary-states-1611.07085</loc><lastmod>2016-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heterodyne-detected-ultrafast-x-ray-diffraction-and-scattering-from-nonstationary-states-1611.07085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heterodyne-detected-ultrafast-x-ray-diffraction-and-scattering-from-nonstationary-states-1611.07085"/></url>
<url><loc>https://scifaro.com/en/abs/a-unified-theoretical-framework-for-mapping-models-for-the-multi-state-hamiltonian-1611.07283</loc><lastmod>2017-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-unified-theoretical-framework-for-mapping-models-for-the-multi-state-hamiltonian-1611.07283"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-unified-theoretical-framework-for-mapping-models-for-the-multi-state-hamiltonian-1611.07283"/></url>
<url><loc>https://scifaro.com/en/abs/isomorphism-between-the-multi-state-hamiltonian-and-the-second-quantized-many-electron-hamiltonian-with-only-1-electron-interactions-1611.07290</loc><lastmod>2017-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isomorphism-between-the-multi-state-hamiltonian-and-the-second-quantized-many-electron-hamiltonian-with-only-1-electron-interactions-1611.07290"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isomorphism-between-the-multi-state-hamiltonian-and-the-second-quantized-many-electron-hamiltonian-with-only-1-electron-interactions-1611.07290"/></url>
<url><loc>https://scifaro.com/en/abs/high-intrinsic-catalytic-activity-of-two-dimensional-boron-monolayers-for-hydrogen-evolution-reaction-1611.07687</loc><lastmod>2016-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-intrinsic-catalytic-activity-of-two-dimensional-boron-monolayers-for-hydrogen-evolution-reaction-1611.07687"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-intrinsic-catalytic-activity-of-two-dimensional-boron-monolayers-for-hydrogen-evolution-reaction-1611.07687"/></url>
<url><loc>https://scifaro.com/en/abs/non-collinearity-in-small-magnetic-cobalt-benzene-molecules-1611.07846</loc><lastmod>2017-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-collinearity-in-small-magnetic-cobalt-benzene-molecules-1611.07846"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-collinearity-in-small-magnetic-cobalt-benzene-molecules-1611.07846"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-barrier-heights-using-diffusion-monte-carlo-1611.07860</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-barrier-heights-using-diffusion-monte-carlo-1611.07860"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-barrier-heights-using-diffusion-monte-carlo-1611.07860"/></url>
<url><loc>https://scifaro.com/en/abs/fast-diffusion-of-water-nanodroplets-on-graphene-1611.08156</loc><lastmod>2016-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-diffusion-of-water-nanodroplets-on-graphene-1611.08156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-diffusion-of-water-nanodroplets-on-graphene-1611.08156"/></url>
<url><loc>https://scifaro.com/en/abs/confinement-effects-on-the-nuclear-spin-isomer-conversion-of-h-2-o-1611.08453</loc><lastmod>2017-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/confinement-effects-on-the-nuclear-spin-isomer-conversion-of-h-2-o-1611.08453"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/confinement-effects-on-the-nuclear-spin-isomer-conversion-of-h-2-o-1611.08453"/></url>
<url><loc>https://scifaro.com/en/abs/the-many-faces-of-heterogeneous-ice-nucleation-interplay-between-surface-morphology-and-hydrophobicity-1611.08605</loc><lastmod>2016-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-many-faces-of-heterogeneous-ice-nucleation-interplay-between-surface-morphology-and-hydrophobicity-1611.08605"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-many-faces-of-heterogeneous-ice-nucleation-interplay-between-surface-morphology-and-hydrophobicity-1611.08605"/></url>
<url><loc>https://scifaro.com/en/abs/a-well-scaling-natural-orbital-theory-1611.08692</loc><lastmod>2016-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-well-scaling-natural-orbital-theory-1611.08692"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-well-scaling-natural-orbital-theory-1611.08692"/></url>
<url><loc>https://scifaro.com/en/abs/the-escape-problem-for-mortal-walkers-1611.08901</loc><lastmod>2020-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-escape-problem-for-mortal-walkers-1611.08901"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-escape-problem-for-mortal-walkers-1611.08901"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-nonradiative-lifetimes-via-molecular-aggregation-1611.09115</loc><lastmod>2017-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-nonradiative-lifetimes-via-molecular-aggregation-1611.09115"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-nonradiative-lifetimes-via-molecular-aggregation-1611.09115"/></url>
<url><loc>https://scifaro.com/en/abs/strong-field-molecular-ionization-in-the-impulsive-limit-freezing-vibrations-with-short-pulses-1611.09142</loc><lastmod>2016-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-field-molecular-ionization-in-the-impulsive-limit-freezing-vibrations-with-short-pulses-1611.09142"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-field-molecular-ionization-in-the-impulsive-limit-freezing-vibrations-with-short-pulses-1611.09142"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-tunneling-during-interstellar-surface-catalyzed-formation-of-water-the-reaction-h-h-2-o-2-rightarrow-h-2-o-oh-1611.09188</loc><lastmod>2016-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-tunneling-during-interstellar-surface-catalyzed-formation-of-water-the-reaction-h-h-2-o-2-rightarrow-h-2-o-oh-1611.09188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-tunneling-during-interstellar-surface-catalyzed-formation-of-water-the-reaction-h-h-2-o-2-rightarrow-h-2-o-oh-1611.09188"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-hubbard-model-for-the-excited-states-of-dibenzoterrylene-1611.09286</loc><lastmod>2016-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-hubbard-model-for-the-excited-states-of-dibenzoterrylene-1611.09286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-hubbard-model-for-the-excited-states-of-dibenzoterrylene-1611.09286"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-dynamics-and-multiphoton-resonances-in-strong-field-molecular-ionization-with-few-cycle-laser-pulses-1611.09395</loc><lastmod>2021-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-dynamics-and-multiphoton-resonances-in-strong-field-molecular-ionization-with-few-cycle-laser-pulses-1611.09395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-dynamics-and-multiphoton-resonances-in-strong-field-molecular-ionization-with-few-cycle-laser-pulses-1611.09395"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-physics-approaches-to-subnetwork-dynamics-in-biochemical-systems-1611.09849</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-physics-approaches-to-subnetwork-dynamics-in-biochemical-systems-1611.09849"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-physics-approaches-to-subnetwork-dynamics-in-biochemical-systems-1611.09849"/></url>
<url><loc>https://scifaro.com/en/abs/a-high-efficiency-aluminum-ion-battery-using-an-alcl3-urea-ionic-liquid-analogue-electrolyte-1611.09951</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-high-efficiency-aluminum-ion-battery-using-an-alcl3-urea-ionic-liquid-analogue-electrolyte-1611.09951"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-high-efficiency-aluminum-ion-battery-using-an-alcl3-urea-ionic-liquid-analogue-electrolyte-1611.09951"/></url>
<url><loc>https://scifaro.com/en/abs/dimethylsilanone-generation-from-pyrolysis-of-polysiloxanes-filled-with-nanosized-silica-and-ceria-silica-1612.00223</loc><lastmod>2016-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dimethylsilanone-generation-from-pyrolysis-of-polysiloxanes-filled-with-nanosized-silica-and-ceria-silica-1612.00223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dimethylsilanone-generation-from-pyrolysis-of-polysiloxanes-filled-with-nanosized-silica-and-ceria-silica-1612.00223"/></url>
<url><loc>https://scifaro.com/en/abs/torsional-and-rotational-coupling-in-non-rigid-molecules-1612.00224</loc><lastmod>2017-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/torsional-and-rotational-coupling-in-non-rigid-molecules-1612.00224"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/torsional-and-rotational-coupling-in-non-rigid-molecules-1612.00224"/></url>
<url><loc>https://scifaro.com/en/abs/cc2-oscillator-strengths-within-the-local-framework-for-calculating-excitation-energies-lofex-1612.00230</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cc2-oscillator-strengths-within-the-local-framework-for-calculating-excitation-energies-lofex-1612.00230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cc2-oscillator-strengths-within-the-local-framework-for-calculating-excitation-energies-lofex-1612.00230"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-of-hydrogen-and-methyl-capped-long-chain-polyynes-by-intense-ultrashort-laser-pulse-irradiation-of-toluene-1612.00320</loc><lastmod>2017-05-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-of-hydrogen-and-methyl-capped-long-chain-polyynes-by-intense-ultrashort-laser-pulse-irradiation-of-toluene-1612.00320"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-of-hydrogen-and-methyl-capped-long-chain-polyynes-by-intense-ultrashort-laser-pulse-irradiation-of-toluene-1612.00320"/></url>
<url><loc>https://scifaro.com/en/abs/response-to-comment-on-time-delays-in-molecular-photoionization-extended-discussion-technical-notes-1612.00481</loc><lastmod>2017-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/response-to-comment-on-time-delays-in-molecular-photoionization-extended-discussion-technical-notes-1612.00481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/response-to-comment-on-time-delays-in-molecular-photoionization-extended-discussion-technical-notes-1612.00481"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-with-accord-actor-based-communication-via-reaction-diffusion-1612.00485</loc><lastmod>2017-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-with-accord-actor-based-communication-via-reaction-diffusion-1612.00485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-with-accord-actor-based-communication-via-reaction-diffusion-1612.00485"/></url>
<url><loc>https://scifaro.com/en/abs/a-preliminary-dft-study-of-the-adsorption-and-dissociation-of-ch-4-so-2-and-o-2-reactions-on-cr-2-o-3-0001-1612.00672</loc><lastmod>2016-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-preliminary-dft-study-of-the-adsorption-and-dissociation-of-ch-4-so-2-and-o-2-reactions-on-cr-2-o-3-0001-1612.00672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-preliminary-dft-study-of-the-adsorption-and-dissociation-of-ch-4-so-2-and-o-2-reactions-on-cr-2-o-3-0001-1612.00672"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-melting-point-and-viscosity-of-ionic-liquids-using-new-quantum-chemistry-descriptors-1612.00879</loc><lastmod>2016-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-melting-point-and-viscosity-of-ionic-liquids-using-new-quantum-chemistry-descriptors-1612.00879"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-melting-point-and-viscosity-of-ionic-liquids-using-new-quantum-chemistry-descriptors-1612.00879"/></url>
<url><loc>https://scifaro.com/en/abs/evaluating-continuum-solvation-models-for-the-electrode-electrolyte-interface-challenges-and-strategies-for-improvement-1612.00931</loc><lastmod>2017-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaluating-continuum-solvation-models-for-the-electrode-electrolyte-interface-challenges-and-strategies-for-improvement-1612.00931"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaluating-continuum-solvation-models-for-the-electrode-electrolyte-interface-challenges-and-strategies-for-improvement-1612.00931"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-potential-energy-curve-for-helium-dimer-retrieved-from-viscosity-coefficient-data-at-very-low-temperatures-1612.01195</loc><lastmod>2025-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-potential-energy-curve-for-helium-dimer-retrieved-from-viscosity-coefficient-data-at-very-low-temperatures-1612.01195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-potential-energy-curve-for-helium-dimer-retrieved-from-viscosity-coefficient-data-at-very-low-temperatures-1612.01195"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-and-computational-study-of-isomerically-pure-soluble-aza-phthalocyanines-and-azasubphthalocyanines-of-varying-number-of-aza-units-1612.01332</loc><lastmod>2018-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-and-computational-study-of-isomerically-pure-soluble-aza-phthalocyanines-and-azasubphthalocyanines-of-varying-number-of-aza-units-1612.01332"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-and-computational-study-of-isomerically-pure-soluble-aza-phthalocyanines-and-azasubphthalocyanines-of-varying-number-of-aza-units-1612.01332"/></url>
<url><loc>https://scifaro.com/en/abs/correct-small-truncated-excited-state-wave-functions-obtained-via-minimization-principle-for-excited-states-compared-opposed-to-hylleraas-undheim-and-mcdonald-higher-roots-1612.01575</loc><lastmod>2016-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correct-small-truncated-excited-state-wave-functions-obtained-via-minimization-principle-for-excited-states-compared-opposed-to-hylleraas-undheim-and-mcdonald-higher-roots-1612.01575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correct-small-truncated-excited-state-wave-functions-obtained-via-minimization-principle-for-excited-states-compared-opposed-to-hylleraas-undheim-and-mcdonald-higher-roots-1612.01575"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-electrostatic-potentials-for-reliable-alignment-at-interfaces-and-defects-1612.01671</loc><lastmod>2017-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-electrostatic-potentials-for-reliable-alignment-at-interfaces-and-defects-1612.01671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-electrostatic-potentials-for-reliable-alignment-at-interfaces-and-defects-1612.01671"/></url>
<url><loc>https://scifaro.com/en/abs/equation-of-motion-for-the-solvent-polarization-apparent-charges-in-the-polarizable-continuum-model-application-to-time-dependent-ci-1612.01949</loc><lastmod>2017-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equation-of-motion-for-the-solvent-polarization-apparent-charges-in-the-polarizable-continuum-model-application-to-time-dependent-ci-1612.01949"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equation-of-motion-for-the-solvent-polarization-apparent-charges-in-the-polarizable-continuum-model-application-to-time-dependent-ci-1612.01949"/></url>
<url><loc>https://scifaro.com/en/abs/size-resolved-photoelectron-anisotropy-of-gas-phase-water-clusters-and-predictions-for-liquid-water-1612.02338</loc><lastmod>2017-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-resolved-photoelectron-anisotropy-of-gas-phase-water-clusters-and-predictions-for-liquid-water-1612.02338"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-resolved-photoelectron-anisotropy-of-gas-phase-water-clusters-and-predictions-for-liquid-water-1612.02338"/></url>
<url><loc>https://scifaro.com/en/abs/complexity-reduction-in-large-quantum-systems-fragment-identification-and-population-analysis-via-a-local-optimized-minimal-basis-1612.02386</loc><lastmod>2017-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complexity-reduction-in-large-quantum-systems-fragment-identification-and-population-analysis-via-a-local-optimized-minimal-basis-1612.02386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complexity-reduction-in-large-quantum-systems-fragment-identification-and-population-analysis-via-a-local-optimized-minimal-basis-1612.02386"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-embedding-theories-1612.02576</loc><lastmod>2017-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-embedding-theories-1612.02576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-embedding-theories-1612.02576"/></url>
<url><loc>https://scifaro.com/en/abs/bridging-single-and-multireference-domains-for-electron-correlation-spin-extended-coupled-electron-pair-approximation-1612.02945</loc><lastmod>2017-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bridging-single-and-multireference-domains-for-electron-correlation-spin-extended-coupled-electron-pair-approximation-1612.02945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bridging-single-and-multireference-domains-for-electron-correlation-spin-extended-coupled-electron-pair-approximation-1612.02945"/></url>
<url><loc>https://scifaro.com/en/abs/mesoscopic-quantum-emitters-from-deterministic-aggregates-of-conjugated-polymers-1612.02976</loc><lastmod>2016-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mesoscopic-quantum-emitters-from-deterministic-aggregates-of-conjugated-polymers-1612.02976"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mesoscopic-quantum-emitters-from-deterministic-aggregates-of-conjugated-polymers-1612.02976"/></url>
<url><loc>https://scifaro.com/en/abs/differentiation-between-shallow-and-deep-charge-trap-states-on-single-poly-3-hexylthiophene-chains-through-fluorescence-photon-statistics-1612.02980</loc><lastmod>2016-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/differentiation-between-shallow-and-deep-charge-trap-states-on-single-poly-3-hexylthiophene-chains-through-fluorescence-photon-statistics-1612.02980"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/differentiation-between-shallow-and-deep-charge-trap-states-on-single-poly-3-hexylthiophene-chains-through-fluorescence-photon-statistics-1612.02980"/></url>
<url><loc>https://scifaro.com/en/abs/interactions-between-pi-conjugated-chromophores-in-a-giant-molecular-spoked-wheel-1612.03001</loc><lastmod>2016-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interactions-between-pi-conjugated-chromophores-in-a-giant-molecular-spoked-wheel-1612.03001"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interactions-between-pi-conjugated-chromophores-in-a-giant-molecular-spoked-wheel-1612.03001"/></url>
<url><loc>https://scifaro.com/en/abs/counting-the-number-of-excited-states-in-organic-semiconductor-systems-using-topology-1612.03434</loc><lastmod>2016-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/counting-the-number-of-excited-states-in-organic-semiconductor-systems-using-topology-1612.03434"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/counting-the-number-of-excited-states-in-organic-semiconductor-systems-using-topology-1612.03434"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-nucleation-and-growth-of-zinc-oxide-during-discharge-of-primary-zinc-air-batteries-1612.03464</loc><lastmod>2017-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-nucleation-and-growth-of-zinc-oxide-during-discharge-of-primary-zinc-air-batteries-1612.03464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-nucleation-and-growth-of-zinc-oxide-during-discharge-of-primary-zinc-air-batteries-1612.03464"/></url>
<url><loc>https://scifaro.com/en/abs/general-technique-for-analytical-derivatives-of-post-projected-hartree-fock-1612.03521</loc><lastmod>2017-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-technique-for-analytical-derivatives-of-post-projected-hartree-fock-1612.03521"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-technique-for-analytical-derivatives-of-post-projected-hartree-fock-1612.03521"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-structure-modifications-due-to-molecular-substituents-and-exciton-scattering-in-conjugated-molecules-1612.03523</loc><lastmod>2016-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-structure-modifications-due-to-molecular-substituents-and-exciton-scattering-in-conjugated-molecules-1612.03523"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-structure-modifications-due-to-molecular-substituents-and-exciton-scattering-in-conjugated-molecules-1612.03523"/></url>
<url><loc>https://scifaro.com/en/abs/a-qualitative-quantum-rate-model-for-hydrogen-transfer-in-soybean-lipoxygenase-1612.03773</loc><lastmod>2017-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-qualitative-quantum-rate-model-for-hydrogen-transfer-in-soybean-lipoxygenase-1612.03773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-qualitative-quantum-rate-model-for-hydrogen-transfer-in-soybean-lipoxygenase-1612.03773"/></url>
<url><loc>https://scifaro.com/en/abs/electrical-double-layer-properties-of-spherical-oxide-nanoparticles-1612.03984</loc><lastmod>2017-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrical-double-layer-properties-of-spherical-oxide-nanoparticles-1612.03984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrical-double-layer-properties-of-spherical-oxide-nanoparticles-1612.03984"/></url>
<url><loc>https://scifaro.com/en/abs/physicochemical-and-thermal-modelling-of-the-reaction-between-a-porous-pellet-and-a-gas-1612.04210</loc><lastmod>2016-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physicochemical-and-thermal-modelling-of-the-reaction-between-a-porous-pellet-and-a-gas-1612.04210"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physicochemical-and-thermal-modelling-of-the-reaction-between-a-porous-pellet-and-a-gas-1612.04210"/></url>
<url><loc>https://scifaro.com/en/abs/study-of-electric-quadrupole-perturbation-at-multiple-probe-sites-in-hf-doped-rutile-in-a-single-perturbed-gamma-gamma-angular-correlation-measurement-1612.04547</loc><lastmod>2016-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-of-electric-quadrupole-perturbation-at-multiple-probe-sites-in-hf-doped-rutile-in-a-single-perturbed-gamma-gamma-angular-correlation-measurement-1612.04547"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-of-electric-quadrupole-perturbation-at-multiple-probe-sites-in-hf-doped-rutile-in-a-single-perturbed-gamma-gamma-angular-correlation-measurement-1612.04547"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-gradients-for-natural-orbital-functional-theory-1612.04673</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-gradients-for-natural-orbital-functional-theory-1612.04673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-gradients-for-natural-orbital-functional-theory-1612.04673"/></url>
<url><loc>https://scifaro.com/en/abs/control-of-intramolecular-electron-transfer-in-perylene-dihydrazides-and-perylene-diimides-a-comparative-study-by-time-resolved-spectroscopy-1612.05046</loc><lastmod>2016-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/control-of-intramolecular-electron-transfer-in-perylene-dihydrazides-and-perylene-diimides-a-comparative-study-by-time-resolved-spectroscopy-1612.05046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/control-of-intramolecular-electron-transfer-in-perylene-dihydrazides-and-perylene-diimides-a-comparative-study-by-time-resolved-spectroscopy-1612.05046"/></url>
<url><loc>https://scifaro.com/en/abs/cumulant-based-formulation-of-higher-order-fluorescence-correlation-spectroscopy-1612.05388</loc><lastmod>2018-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cumulant-based-formulation-of-higher-order-fluorescence-correlation-spectroscopy-1612.05388"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cumulant-based-formulation-of-higher-order-fluorescence-correlation-spectroscopy-1612.05388"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-polygons-probe-the-role-of-intramolecular-strain-in-the-photophysics-of-pi-conjugated-chromophores-1612.05398</loc><lastmod>2016-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-polygons-probe-the-role-of-intramolecular-strain-in-the-photophysics-of-pi-conjugated-chromophores-1612.05398"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-polygons-probe-the-role-of-intramolecular-strain-in-the-photophysics-of-pi-conjugated-chromophores-1612.05398"/></url>
<url><loc>https://scifaro.com/en/abs/multiscale-modelling-of-lytic-polysaccharide-monooxygenases-1612.05513</loc><lastmod>2017-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-modelling-of-lytic-polysaccharide-monooxygenases-1612.05513"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-modelling-of-lytic-polysaccharide-monooxygenases-1612.05513"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-two-photon-emission-from-coherently-excited-solid-parahydrogen-1612.05600</loc><lastmod>2017-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-two-photon-emission-from-coherently-excited-solid-parahydrogen-1612.05600"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-two-photon-emission-from-coherently-excited-solid-parahydrogen-1612.05600"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-optical-response-properties-of-aryl-substituted-boron-dipyrromethene-dyes-unidirectional-charge-transfer-coupled-with-structural-tuning-1612.05777</loc><lastmod>2017-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-optical-response-properties-of-aryl-substituted-boron-dipyrromethene-dyes-unidirectional-charge-transfer-coupled-with-structural-tuning-1612.05777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-optical-response-properties-of-aryl-substituted-boron-dipyrromethene-dyes-unidirectional-charge-transfer-coupled-with-structural-tuning-1612.05777"/></url>
<url><loc>https://scifaro.com/en/abs/counterions-and-water-molecules-in-charged-silicon-nanochannels-the-influence-of-surface-charge-discreteness-1612.05862</loc><lastmod>2016-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/counterions-and-water-molecules-in-charged-silicon-nanochannels-the-influence-of-surface-charge-discreteness-1612.05862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/counterions-and-water-molecules-in-charged-silicon-nanochannels-the-influence-of-surface-charge-discreteness-1612.05862"/></url>
<url><loc>https://scifaro.com/en/abs/exchange-functionals-based-on-finite-uniform-electron-gases-1612.06022</loc><lastmod>2017-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-functionals-based-on-finite-uniform-electron-gases-1612.06022"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-functionals-based-on-finite-uniform-electron-gases-1612.06022"/></url>
<url><loc>https://scifaro.com/en/abs/photoinduced-molecular-chirality-probed-by-ultrafast-resonant-x-ray-spectroscopy-1612.06909</loc><lastmod>2017-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoinduced-molecular-chirality-probed-by-ultrafast-resonant-x-ray-spectroscopy-1612.06909"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoinduced-molecular-chirality-probed-by-ultrafast-resonant-x-ray-spectroscopy-1612.06909"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-enhanced-rate-coefficients-in-the-h-2-h-2-rightarrow-h-3-h-reaction-at-low-collision-energies-1612.07232</loc><lastmod>2017-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-enhanced-rate-coefficients-in-the-h-2-h-2-rightarrow-h-3-h-reaction-at-low-collision-energies-1612.07232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-enhanced-rate-coefficients-in-the-h-2-h-2-rightarrow-h-3-h-reaction-at-low-collision-energies-1612.07232"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-absorption-measurements-of-nh3-at-high-temperatures-2100-5500-1612.07930</loc><lastmod>2017-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-absorption-measurements-of-nh3-at-high-temperatures-2100-5500-1612.07930"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-absorption-measurements-of-nh3-at-high-temperatures-2100-5500-1612.07930"/></url>
<url><loc>https://scifaro.com/en/abs/inelastic-electron-injection-in-a-water-chain-1612.07959</loc><lastmod>2017-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inelastic-electron-injection-in-a-water-chain-1612.07959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inelastic-electron-injection-in-a-water-chain-1612.07959"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-high-dimensional-free-energy-landscapes-temperature-accelerated-sliced-sampling-1612.08240</loc><lastmod>2017-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-high-dimensional-free-energy-landscapes-temperature-accelerated-sliced-sampling-1612.08240"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-high-dimensional-free-energy-landscapes-temperature-accelerated-sliced-sampling-1612.08240"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-evaluation-of-electrochemical-cell-architectures-using-cation-intercalation-electrodes-for-desalination-1612.08272</loc><lastmod>2016-12-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-evaluation-of-electrochemical-cell-architectures-using-cation-intercalation-electrodes-for-desalination-1612.08272"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-evaluation-of-electrochemical-cell-architectures-using-cation-intercalation-electrodes-for-desalination-1612.08272"/></url>
<url><loc>https://scifaro.com/en/abs/nickel-hexacyanoferrate-electrodes-for-continuous-cation-intercalation-desalination-of-brackish-water-1612.08293</loc><lastmod>2020-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nickel-hexacyanoferrate-electrodes-for-continuous-cation-intercalation-desalination-of-brackish-water-1612.08293"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nickel-hexacyanoferrate-electrodes-for-continuous-cation-intercalation-desalination-of-brackish-water-1612.08293"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-gw-calculations-for-molecules-1612.08999</loc><lastmod>2017-07-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-gw-calculations-for-molecules-1612.08999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-gw-calculations-for-molecules-1612.08999"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-nmr-relaxation-and-diffusion-of-bulk-hydrocarbons-and-water-1612.09278</loc><lastmod>2017-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-nmr-relaxation-and-diffusion-of-bulk-hydrocarbons-and-water-1612.09278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-nmr-relaxation-and-diffusion-of-bulk-hydrocarbons-and-water-1612.09278"/></url>
<url><loc>https://scifaro.com/en/abs/self-metalation-of-phthalocyanine-molecules-with-silver-surface-atoms-by-adsorption-on-ag-110-1612.09315</loc><lastmod>2017-01-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-metalation-of-phthalocyanine-molecules-with-silver-surface-atoms-by-adsorption-on-ag-110-1612.09315"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-metalation-of-phthalocyanine-molecules-with-silver-surface-atoms-by-adsorption-on-ag-110-1612.09315"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-quantum-mechanical-method-for-radical-pair-recombination-reactions-1612.09517</loc><lastmod>2017-01-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-quantum-mechanical-method-for-radical-pair-recombination-reactions-1612.09517"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-quantum-mechanical-method-for-radical-pair-recombination-reactions-1612.09517"/></url>
<url><loc>https://scifaro.com/en/abs/steering-orbital-optimization-out-of-local-minima-and-saddle-points-toward-lower-energy-1701.00128</loc><lastmod>2017-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steering-orbital-optimization-out-of-local-minima-and-saddle-points-toward-lower-energy-1701.00128"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steering-orbital-optimization-out-of-local-minima-and-saddle-points-toward-lower-energy-1701.00128"/></url>
<url><loc>https://scifaro.com/en/abs/predicted-land-e-g-factors-for-open-shell-diatomic-molecules-1701.00176</loc><lastmod>2017-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicted-land-e-g-factors-for-open-shell-diatomic-molecules-1701.00176"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicted-land-e-g-factors-for-open-shell-diatomic-molecules-1701.00176"/></url>
<url><loc>https://scifaro.com/en/abs/analyzing-pfg-anisotropic-anomalous-diffusions-by-instantaneous-signal-attenuation-method-1701.00257</loc><lastmod>2017-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analyzing-pfg-anisotropic-anomalous-diffusions-by-instantaneous-signal-attenuation-method-1701.00257"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analyzing-pfg-anisotropic-anomalous-diffusions-by-instantaneous-signal-attenuation-method-1701.00257"/></url>
<url><loc>https://scifaro.com/en/abs/systematic-quantum-mechanical-region-determination-in-qm-mm-simulation-1701.00427</loc><lastmod>2017-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematic-quantum-mechanical-region-determination-in-qm-mm-simulation-1701.00427"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematic-quantum-mechanical-region-determination-in-qm-mm-simulation-1701.00427"/></url>
<url><loc>https://scifaro.com/en/abs/morphological-aspects-of-porous-silicon-prepared-by-photoelectrochemical-etching-1701.00442</loc><lastmod>2017-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/morphological-aspects-of-porous-silicon-prepared-by-photoelectrochemical-etching-1701.00442"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/morphological-aspects-of-porous-silicon-prepared-by-photoelectrochemical-etching-1701.00442"/></url>
<url><loc>https://scifaro.com/en/abs/od-co-d-co2-branching-kinetics-probed-with-time-resolved-frequency-comb-spectroscopy-1701.00832</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/od-co-d-co2-branching-kinetics-probed-with-time-resolved-frequency-comb-spectroscopy-1701.00832"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/od-co-d-co2-branching-kinetics-probed-with-time-resolved-frequency-comb-spectroscopy-1701.00832"/></url>
<url><loc>https://scifaro.com/en/abs/warming-up-density-functional-theory-1701.00873</loc><lastmod>2017-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/warming-up-density-functional-theory-1701.00873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/warming-up-density-functional-theory-1701.00873"/></url>
<url><loc>https://scifaro.com/en/abs/constants-of-explosive-limits-1701.00909</loc><lastmod>2017-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/constants-of-explosive-limits-1701.00909"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/constants-of-explosive-limits-1701.00909"/></url>
<url><loc>https://scifaro.com/en/abs/perturbational-perspective-on-kekul-e-valence-structures-of-biphenylene-and-related-hydrocarbons-1701.01012</loc><lastmod>2017-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perturbational-perspective-on-kekul-e-valence-structures-of-biphenylene-and-related-hydrocarbons-1701.01012"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perturbational-perspective-on-kekul-e-valence-structures-of-biphenylene-and-related-hydrocarbons-1701.01012"/></url>
<url><loc>https://scifaro.com/en/abs/validity-examination-of-the-dissipative-quantum-model-of-olfaction-1701.01050</loc><lastmod>2017-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/validity-examination-of-the-dissipative-quantum-model-of-olfaction-1701.01050"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/validity-examination-of-the-dissipative-quantum-model-of-olfaction-1701.01050"/></url>
<url><loc>https://scifaro.com/en/abs/a-model-provides-insight-into-electric-field-induced-rupture-mechanism-of-water-in-toluene-emulsion-films-1701.01053</loc><lastmod>2017-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-model-provides-insight-into-electric-field-induced-rupture-mechanism-of-water-in-toluene-emulsion-films-1701.01053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-model-provides-insight-into-electric-field-induced-rupture-mechanism-of-water-in-toluene-emulsion-films-1701.01053"/></url>
<url><loc>https://scifaro.com/en/abs/imapd-intrinsic-map-dynamics-exploration-for-uncharted-effective-free-energy-landscapes-1701.01513</loc><lastmod>2025-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imapd-intrinsic-map-dynamics-exploration-for-uncharted-effective-free-energy-landscapes-1701.01513"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imapd-intrinsic-map-dynamics-exploration-for-uncharted-effective-free-energy-landscapes-1701.01513"/></url>
<url><loc>https://scifaro.com/en/abs/rydberg-states-of-helium-in-electric-and-magnetic-fields-of-arbitrary-relative-orientation-1701.01638</loc><lastmod>2017-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rydberg-states-of-helium-in-electric-and-magnetic-fields-of-arbitrary-relative-orientation-1701.01638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rydberg-states-of-helium-in-electric-and-magnetic-fields-of-arbitrary-relative-orientation-1701.01638"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-minimal-basis-iterative-stockholder-atoms-in-molecules-for-force-field-development-1701.01714</loc><lastmod>2017-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-minimal-basis-iterative-stockholder-atoms-in-molecules-for-force-field-development-1701.01714"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-minimal-basis-iterative-stockholder-atoms-in-molecules-for-force-field-development-1701.01714"/></url>
<url><loc>https://scifaro.com/en/abs/eckart-ro-vibrational-hamiltonians-via-the-gateway-hamilton-operator-theory-and-practice-1701.01823</loc><lastmod>2017-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eckart-ro-vibrational-hamiltonians-via-the-gateway-hamilton-operator-theory-and-practice-1701.01823"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eckart-ro-vibrational-hamiltonians-via-the-gateway-hamilton-operator-theory-and-practice-1701.01823"/></url>
<url><loc>https://scifaro.com/en/abs/driven-similarity-renormalization-group-third-order-multireference-perturbation-theory-1701.02011</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/driven-similarity-renormalization-group-third-order-multireference-perturbation-theory-1701.02011"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/driven-similarity-renormalization-group-third-order-multireference-perturbation-theory-1701.02011"/></url>
<url><loc>https://scifaro.com/en/abs/simple-eigenvalue-self-consistent-bar-delta-gw-0-1701.02023</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-eigenvalue-self-consistent-bar-delta-gw-0-1701.02023"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-eigenvalue-self-consistent-bar-delta-gw-0-1701.02023"/></url>
<url><loc>https://scifaro.com/en/abs/electrode-electrolyte-interface-in-the-li-o2-battery-insight-from-molecular-dynamics-study-1701.02086</loc><lastmod>2017-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrode-electrolyte-interface-in-the-li-o2-battery-insight-from-molecular-dynamics-study-1701.02086"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrode-electrolyte-interface-in-the-li-o2-battery-insight-from-molecular-dynamics-study-1701.02086"/></url>
<url><loc>https://scifaro.com/en/abs/vacuum-ultraviolet-frequency-modulation-spectroscopy-1701.02223</loc><lastmod>2017-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vacuum-ultraviolet-frequency-modulation-spectroscopy-1701.02223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vacuum-ultraviolet-frequency-modulation-spectroscopy-1701.02223"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-derivative-coupling-for-multistate-caspt2-theory-1701.02259</loc><lastmod>2017-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-derivative-coupling-for-multistate-caspt2-theory-1701.02259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-derivative-coupling-for-multistate-caspt2-theory-1701.02259"/></url>
<url><loc>https://scifaro.com/en/abs/exact-single-electron-approach-to-the-dynamics-of-molecules-in-strong-laser-fields-1701.02285</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-single-electron-approach-to-the-dynamics-of-molecules-in-strong-laser-fields-1701.02285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-single-electron-approach-to-the-dynamics-of-molecules-in-strong-laser-fields-1701.02285"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-electronic-structure-in-one-dimensional-coulomb-systems-1701.02391</loc><lastmod>2017-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-electronic-structure-in-one-dimensional-coulomb-systems-1701.02391"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-electronic-structure-in-one-dimensional-coulomb-systems-1701.02391"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-quantum-time-correlation-functions-from-classical-like-dynamics-1701.03016</loc><lastmod>2017-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-quantum-time-correlation-functions-from-classical-like-dynamics-1701.03016"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-quantum-time-correlation-functions-from-classical-like-dynamics-1701.03016"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-study-on-the-transesterification-of-triacetin-assisted-by-cooperative-weak-interactions-via-a-gold-heterogeneous-catalyst-insights-into-biodiesel-production-mechanisms-1701.03179</loc><lastmod>2017-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-study-on-the-transesterification-of-triacetin-assisted-by-cooperative-weak-interactions-via-a-gold-heterogeneous-catalyst-insights-into-biodiesel-production-mechanisms-1701.03179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-study-on-the-transesterification-of-triacetin-assisted-by-cooperative-weak-interactions-via-a-gold-heterogeneous-catalyst-insights-into-biodiesel-production-mechanisms-1701.03179"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-structure-and-non-linear-optical-properties-of-organic-photovoltaic-systems-with-potential-applications-on-solar-cell-devices-a-dft-approach-1701.03250</loc><lastmod>2017-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-structure-and-non-linear-optical-properties-of-organic-photovoltaic-systems-with-potential-applications-on-solar-cell-devices-a-dft-approach-1701.03250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-structure-and-non-linear-optical-properties-of-organic-photovoltaic-systems-with-potential-applications-on-solar-cell-devices-a-dft-approach-1701.03250"/></url>
<url><loc>https://scifaro.com/en/abs/fully-quantum-description-of-the-zundel-ion-combining-variational-quantum-monte-carlo-with-path-integral-langevin-dynamics-1701.03392</loc><lastmod>2018-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fully-quantum-description-of-the-zundel-ion-combining-variational-quantum-monte-carlo-with-path-integral-langevin-dynamics-1701.03392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fully-quantum-description-of-the-zundel-ion-combining-variational-quantum-monte-carlo-with-path-integral-langevin-dynamics-1701.03392"/></url>
<url><loc>https://scifaro.com/en/abs/observation-and-calculation-of-the-quasi-bound-rovibrational-levels-of-the-electronic-ground-state-of-h-2-1701.03603</loc><lastmod>2017-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-and-calculation-of-the-quasi-bound-rovibrational-levels-of-the-electronic-ground-state-of-h-2-1701.03603"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-and-calculation-of-the-quasi-bound-rovibrational-levels-of-the-electronic-ground-state-of-h-2-1701.03603"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-spectroscopy-of-he-2-using-rydberg-series-extrapolation-and-zeeman-decelerated-supersonic-beams-of-metastable-he-2-1701.03646</loc><lastmod>2017-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-spectroscopy-of-he-2-using-rydberg-series-extrapolation-and-zeeman-decelerated-supersonic-beams-of-metastable-he-2-1701.03646"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-spectroscopy-of-he-2-using-rydberg-series-extrapolation-and-zeeman-decelerated-supersonic-beams-of-metastable-he-2-1701.03646"/></url>
<url><loc>https://scifaro.com/en/abs/doublet-triplet-energy-transfer-dominated-photon-upconversion-1701.03894</loc><lastmod>2017-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/doublet-triplet-energy-transfer-dominated-photon-upconversion-1701.03894"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/doublet-triplet-energy-transfer-dominated-photon-upconversion-1701.03894"/></url>
<url><loc>https://scifaro.com/en/abs/hierarchy-of-equations-to-calculate-the-linear-spectra-of-molecular-aggregates-time-dependent-and-frequency-domain-formulation-1701.04100</loc><lastmod>2017-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hierarchy-of-equations-to-calculate-the-linear-spectra-of-molecular-aggregates-time-dependent-and-frequency-domain-formulation-1701.04100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hierarchy-of-equations-to-calculate-the-linear-spectra-of-molecular-aggregates-time-dependent-and-frequency-domain-formulation-1701.04100"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-molecular-alignment-in-the-presence-of-chaotic-rotational-dynamics-1701.04448</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-molecular-alignment-in-the-presence-of-chaotic-rotational-dynamics-1701.04448"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-molecular-alignment-in-the-presence-of-chaotic-rotational-dynamics-1701.04448"/></url>
<url><loc>https://scifaro.com/en/abs/grand-canonical-electronic-density-functional-theory-algorithms-and-applications-to-electrochemistry-1701.04490</loc><lastmod>2017-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/grand-canonical-electronic-density-functional-theory-algorithms-and-applications-to-electrochemistry-1701.04490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/grand-canonical-electronic-density-functional-theory-algorithms-and-applications-to-electrochemistry-1701.04490"/></url>
<url><loc>https://scifaro.com/en/abs/benchmark-of-dynamic-electron-correlation-models-for-seniority-zero-wavefunctions-and-their-application-to-thermochemistry-1701.04563</loc><lastmod>2017-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmark-of-dynamic-electron-correlation-models-for-seniority-zero-wavefunctions-and-their-application-to-thermochemistry-1701.04563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmark-of-dynamic-electron-correlation-models-for-seniority-zero-wavefunctions-and-their-application-to-thermochemistry-1701.04563"/></url>
<url><loc>https://scifaro.com/en/abs/non-isothermal-physical-and-chemical-processes-in-superfluid-helium-1701.04655</loc><lastmod>2017-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-isothermal-physical-and-chemical-processes-in-superfluid-helium-1701.04655"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-isothermal-physical-and-chemical-processes-in-superfluid-helium-1701.04655"/></url>
<url><loc>https://scifaro.com/en/abs/alternative-definition-of-excitation-amplitudes-in-multi-reference-state-specific-coupled-cluster-1701.04764</loc><lastmod>2017-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alternative-definition-of-excitation-amplitudes-in-multi-reference-state-specific-coupled-cluster-1701.04764"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alternative-definition-of-excitation-amplitudes-in-multi-reference-state-specific-coupled-cluster-1701.04764"/></url>
<url><loc>https://scifaro.com/en/abs/free-energy-computation-by-monte-carlo-integration-1701.05073</loc><lastmod>2017-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/free-energy-computation-by-monte-carlo-integration-1701.05073"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/free-energy-computation-by-monte-carlo-integration-1701.05073"/></url>
<url><loc>https://scifaro.com/en/abs/a-unified-stochastic-formulation-of-dissipative-quantum-dynamics-i-generalized-hierarchical-equations-1701.05709</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-unified-stochastic-formulation-of-dissipative-quantum-dynamics-i-generalized-hierarchical-equations-1701.05709"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-unified-stochastic-formulation-of-dissipative-quantum-dynamics-i-generalized-hierarchical-equations-1701.05709"/></url>
<url><loc>https://scifaro.com/en/abs/a-unified-stochastic-formulation-of-dissipative-quantum-dynamics-ii-beyond-linear-response-of-spin-baths-1701.05713</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-unified-stochastic-formulation-of-dissipative-quantum-dynamics-ii-beyond-linear-response-of-spin-baths-1701.05713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-unified-stochastic-formulation-of-dissipative-quantum-dynamics-ii-beyond-linear-response-of-spin-baths-1701.05713"/></url>
<url><loc>https://scifaro.com/en/abs/activity-coefficients-of-individual-ions-in-lacl-3-from-the-ii-iw-theory-1701.05797</loc><lastmod>2017-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/activity-coefficients-of-individual-ions-in-lacl-3-from-the-ii-iw-theory-1701.05797"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/activity-coefficients-of-individual-ions-in-lacl-3-from-the-ii-iw-theory-1701.05797"/></url>
<url><loc>https://scifaro.com/en/abs/the-resonant-heating-of-heavy-water-solutions-under-the-terahertz-pulse-irradiation-1701.05826</loc><lastmod>2017-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-resonant-heating-of-heavy-water-solutions-under-the-terahertz-pulse-irradiation-1701.05826"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-resonant-heating-of-heavy-water-solutions-under-the-terahertz-pulse-irradiation-1701.05826"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-the-absorption-spectrum-of-the-permanganate-ion-in-vacuum-and-in-aqueous-solution-1701.05950</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-the-absorption-spectrum-of-the-permanganate-ion-in-vacuum-and-in-aqueous-solution-1701.05950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-the-absorption-spectrum-of-the-permanganate-ion-in-vacuum-and-in-aqueous-solution-1701.05950"/></url>
<url><loc>https://scifaro.com/en/abs/in-situ-x-ray-diffraction-studies-of-graphite-oxidation-reaction-indicating-different-exfoliation-mechanism-than-ex-site-studies-1701.06493</loc><lastmod>2017-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-situ-x-ray-diffraction-studies-of-graphite-oxidation-reaction-indicating-different-exfoliation-mechanism-than-ex-site-studies-1701.06493"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-situ-x-ray-diffraction-studies-of-graphite-oxidation-reaction-indicating-different-exfoliation-mechanism-than-ex-site-studies-1701.06493"/></url>
<url><loc>https://scifaro.com/en/abs/path-integral-molecular-dynamics-with-surface-hopping-for-thermal-equilibrium-sampling-of-nonadiabatic-systems-1701.06494</loc><lastmod>2017-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/path-integral-molecular-dynamics-with-surface-hopping-for-thermal-equilibrium-sampling-of-nonadiabatic-systems-1701.06494"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/path-integral-molecular-dynamics-with-surface-hopping-for-thermal-equilibrium-sampling-of-nonadiabatic-systems-1701.06494"/></url>
<url><loc>https://scifaro.com/en/abs/fast-evaluation-of-solid-harmonic-gaussian-integrals-for-local-resolution-of-the-identity-methods-and-range-separated-hybrid-functionals-1701.06588</loc><lastmod>2017-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-evaluation-of-solid-harmonic-gaussian-integrals-for-local-resolution-of-the-identity-methods-and-range-separated-hybrid-functionals-1701.06588"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-evaluation-of-solid-harmonic-gaussian-integrals-for-local-resolution-of-the-identity-methods-and-range-separated-hybrid-functionals-1701.06588"/></url>
<url><loc>https://scifaro.com/en/abs/constant-size-molecular-descriptors-for-use-with-machine-learning-1701.06649</loc><lastmod>2017-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/constant-size-molecular-descriptors-for-use-with-machine-learning-1701.06649"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/constant-size-molecular-descriptors-for-use-with-machine-learning-1701.06649"/></url>
<url><loc>https://scifaro.com/en/abs/an-open-source-framework-for-analyzing-n-electron-dynamics-i-multi-determinantal-wave-functions-1701.06885</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-open-source-framework-for-analyzing-n-electron-dynamics-i-multi-determinantal-wave-functions-1701.06885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-open-source-framework-for-analyzing-n-electron-dynamics-i-multi-determinantal-wave-functions-1701.06885"/></url>
<url><loc>https://scifaro.com/en/abs/a-computational-approach-to-calculate-the-heat-of-transport-of-aqueous-solutions-1701.07234</loc><lastmod>2017-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-computational-approach-to-calculate-the-heat-of-transport-of-aqueous-solutions-1701.07234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-computational-approach-to-calculate-the-heat-of-transport-of-aqueous-solutions-1701.07234"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-state-selection-and-alignment-of-chiral-molecules-by-electrostatic-hexapoles-1701.07315</loc><lastmod>2017-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-state-selection-and-alignment-of-chiral-molecules-by-electrostatic-hexapoles-1701.07315"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-state-selection-and-alignment-of-chiral-molecules-by-electrostatic-hexapoles-1701.07315"/></url>
<url><loc>https://scifaro.com/en/abs/automated-construction-of-molecular-active-spaces-from-atomic-valence-orbitals-1701.07862</loc><lastmod>2017-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-construction-of-molecular-active-spaces-from-atomic-valence-orbitals-1701.07862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-construction-of-molecular-active-spaces-from-atomic-valence-orbitals-1701.07862"/></url>
<url><loc>https://scifaro.com/en/abs/underscreening-in-concentrated-electrolytes-1701.08151</loc><lastmod>2017-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/underscreening-in-concentrated-electrolytes-1701.08151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/underscreening-in-concentrated-electrolytes-1701.08151"/></url>
<url><loc>https://scifaro.com/en/abs/the-python-based-simulations-of-chemistry-framework-pyscf-1701.08223</loc><lastmod>2017-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-python-based-simulations-of-chemistry-framework-pyscf-1701.08223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-python-based-simulations-of-chemistry-framework-pyscf-1701.08223"/></url>
<url><loc>https://scifaro.com/en/abs/bootstrapping-to-the-molecular-frame-with-time-domain-photoionization-interferometry-1701.08432</loc><lastmod>2017-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bootstrapping-to-the-molecular-frame-with-time-domain-photoionization-interferometry-1701.08432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bootstrapping-to-the-molecular-frame-with-time-domain-photoionization-interferometry-1701.08432"/></url>
<url><loc>https://scifaro.com/en/abs/multi-layer-free-energy-perturbation-1701.08490</loc><lastmod>2017-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-layer-free-energy-perturbation-1701.08490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-layer-free-energy-perturbation-1701.08490"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-energy-transfer-with-competing-channels-non-equilibrium-foerster-and-modified-redfield-theories-1701.08684</loc><lastmod>2017-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-energy-transfer-with-competing-channels-non-equilibrium-foerster-and-modified-redfield-theories-1701.08684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-energy-transfer-with-competing-channels-non-equilibrium-foerster-and-modified-redfield-theories-1701.08684"/></url>
<url><loc>https://scifaro.com/en/abs/improved-method-for-generating-exchange-correlation-potentials-from-electronic-wave-functions-1701.08708</loc><lastmod>2017-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-method-for-generating-exchange-correlation-potentials-from-electronic-wave-functions-1701.08708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-method-for-generating-exchange-correlation-potentials-from-electronic-wave-functions-1701.08708"/></url>
<url><loc>https://scifaro.com/en/abs/intercalation-kinetics-in-multiphase-layered-materials-1701.08858</loc><lastmod>2017-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intercalation-kinetics-in-multiphase-layered-materials-1701.08858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intercalation-kinetics-in-multiphase-layered-materials-1701.08858"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-reactive-scattering-of-ultracold-atoms-and-molecules-universality-and-chaotic-dynamics-1701.09090</loc><lastmod>2017-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-reactive-scattering-of-ultracold-atoms-and-molecules-universality-and-chaotic-dynamics-1701.09090"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-reactive-scattering-of-ultracold-atoms-and-molecules-universality-and-chaotic-dynamics-1701.09090"/></url>
<url><loc>https://scifaro.com/en/abs/a-carbon-dioxide-absorption-system-driven-by-water-quantity-1702.00388</loc><lastmod>2017-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-carbon-dioxide-absorption-system-driven-by-water-quantity-1702.00388"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-carbon-dioxide-absorption-system-driven-by-water-quantity-1702.00388"/></url>
<url><loc>https://scifaro.com/en/abs/automated-identification-of-relevant-frontier-orbitals-for-chemical-compounds-and-processes-1702.00450</loc><lastmod>2017-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-identification-of-relevant-frontier-orbitals-for-chemical-compounds-and-processes-1702.00450"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-identification-of-relevant-frontier-orbitals-for-chemical-compounds-and-processes-1702.00450"/></url>
<url><loc>https://scifaro.com/en/abs/stereodirectional-photodynamics-experimental-and-theoretical-perspectives-1702.00618</loc><lastmod>2017-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stereodirectional-photodynamics-experimental-and-theoretical-perspectives-1702.00618"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stereodirectional-photodynamics-experimental-and-theoretical-perspectives-1702.00618"/></url>
<url><loc>https://scifaro.com/en/abs/hexapole-oriented-asymmetric-top-molecules-and-their-stereodirectional-photodissociation-dynamics-1702.00689</loc><lastmod>2017-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hexapole-oriented-asymmetric-top-molecules-and-their-stereodirectional-photodissociation-dynamics-1702.00689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hexapole-oriented-asymmetric-top-molecules-and-their-stereodirectional-photodissociation-dynamics-1702.00689"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-multi-mass-ion-imaging-femtosecond-uv-vuv-pump-probe-spectroscopy-with-the-pimms-camera-1702.00744</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-multi-mass-ion-imaging-femtosecond-uv-vuv-pump-probe-spectroscopy-with-the-pimms-camera-1702.00744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-multi-mass-ion-imaging-femtosecond-uv-vuv-pump-probe-spectroscopy-with-the-pimms-camera-1702.00744"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-is-not-straying-from-the-path-toward-the-exact-functional-1702.00813</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-is-not-straying-from-the-path-toward-the-exact-functional-1702.00813"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-is-not-straying-from-the-path-toward-the-exact-functional-1702.00813"/></url>
<url><loc>https://scifaro.com/en/abs/error-assessment-of-computational-models-in-chemistry-1702.00867</loc><lastmod>2017-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/error-assessment-of-computational-models-in-chemistry-1702.00867"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/error-assessment-of-computational-models-in-chemistry-1702.00867"/></url>
<url><loc>https://scifaro.com/en/abs/attenuated-coupled-cluster-a-heuristic-polynomial-similarity-transformation-incorporating-spin-symmetry-projection-into-traditional-coupled-cluster-theory-1702.00906</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attenuated-coupled-cluster-a-heuristic-polynomial-similarity-transformation-incorporating-spin-symmetry-projection-into-traditional-coupled-cluster-theory-1702.00906"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attenuated-coupled-cluster-a-heuristic-polynomial-similarity-transformation-incorporating-spin-symmetry-projection-into-traditional-coupled-cluster-theory-1702.00906"/></url>
<url><loc>https://scifaro.com/en/abs/hydrolysis-of-cephalexin-and-meropenem-by-new-delhi-metallo-beta-lactamase-substrate-protonation-mechanism-is-drug-dependent-1702.01239</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrolysis-of-cephalexin-and-meropenem-by-new-delhi-metallo-beta-lactamase-substrate-protonation-mechanism-is-drug-dependent-1702.01239"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrolysis-of-cephalexin-and-meropenem-by-new-delhi-metallo-beta-lactamase-substrate-protonation-mechanism-is-drug-dependent-1702.01239"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-rotation-of-iodine-molecules-in-he-nanodroplets-revivals-and-breaking-free-1702.01977</loc><lastmod>2017-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-rotation-of-iodine-molecules-in-he-nanodroplets-revivals-and-breaking-free-1702.01977"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-rotation-of-iodine-molecules-in-he-nanodroplets-revivals-and-breaking-free-1702.01977"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-and-electronic-properties-of-graphene-related-systems-chemical-bondings-1702.02031</loc><lastmod>2017-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-and-electronic-properties-of-graphene-related-systems-chemical-bondings-1702.02031"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-and-electronic-properties-of-graphene-related-systems-chemical-bondings-1702.02031"/></url>
<url><loc>https://scifaro.com/en/abs/nonlocality-of-relaxation-rates-in-disordered-landscapes-1702.02296</loc><lastmod>2017-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlocality-of-relaxation-rates-in-disordered-landscapes-1702.02296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlocality-of-relaxation-rates-in-disordered-landscapes-1702.02296"/></url>
<url><loc>https://scifaro.com/en/abs/chlorine-and-bromine-isotope-fractionation-of-halogenated-organic-compounds-in-electron-ionization-mass-spectrometry-1702.02323</loc><lastmod>2019-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chlorine-and-bromine-isotope-fractionation-of-halogenated-organic-compounds-in-electron-ionization-mass-spectrometry-1702.02323"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chlorine-and-bromine-isotope-fractionation-of-halogenated-organic-compounds-in-electron-ionization-mass-spectrometry-1702.02323"/></url>
<url><loc>https://scifaro.com/en/abs/free-energy-of-formation-of-a-crystal-nucleus-in-incongruent-solidification-implication-for-modeling-the-crystallization-of-aqueous-nitric-acid-droplets-in-type-1-polar-stratospheric-clouds-1702.02500</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/free-energy-of-formation-of-a-crystal-nucleus-in-incongruent-solidification-implication-for-modeling-the-crystallization-of-aqueous-nitric-acid-droplets-in-type-1-polar-stratospheric-clouds-1702.02500"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/free-energy-of-formation-of-a-crystal-nucleus-in-incongruent-solidification-implication-for-modeling-the-crystallization-of-aqueous-nitric-acid-droplets-in-type-1-polar-stratospheric-clouds-1702.02500"/></url>
<url><loc>https://scifaro.com/en/abs/chlorine-and-bromine-isotope-fractionation-of-halogenated-organic-pollutants-on-gas-chromatography-columns-1702.02565</loc><lastmod>2017-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chlorine-and-bromine-isotope-fractionation-of-halogenated-organic-pollutants-on-gas-chromatography-columns-1702.02565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chlorine-and-bromine-isotope-fractionation-of-halogenated-organic-pollutants-on-gas-chromatography-columns-1702.02565"/></url>
<url><loc>https://scifaro.com/en/abs/equilibrium-configurations-of-large-nanostructures-using-the-embedded-saturated-fragments-stochastic-density-functional-theory-1702.02714</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equilibrium-configurations-of-large-nanostructures-using-the-embedded-saturated-fragments-stochastic-density-functional-theory-1702.02714"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equilibrium-configurations-of-large-nanostructures-using-the-embedded-saturated-fragments-stochastic-density-functional-theory-1702.02714"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-li-termination-on-the-electronic-and-hydrogen-storage-properties-of-linear-carbon-chains-a-tao-dft-study-1702.03055</loc><lastmod>2017-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-li-termination-on-the-electronic-and-hydrogen-storage-properties-of-linear-carbon-chains-a-tao-dft-study-1702.03055"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-li-termination-on-the-electronic-and-hydrogen-storage-properties-of-linear-carbon-chains-a-tao-dft-study-1702.03055"/></url>
<url><loc>https://scifaro.com/en/abs/a-jeziorski-monkhorst-fully-uncontracted-multi-reference-perturbative-treatment-i-principles-second-order-versions-and-tests-on-ground-state-potential-energy-curves-1702.03133</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-jeziorski-monkhorst-fully-uncontracted-multi-reference-perturbative-treatment-i-principles-second-order-versions-and-tests-on-ground-state-potential-energy-curves-1702.03133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-jeziorski-monkhorst-fully-uncontracted-multi-reference-perturbative-treatment-i-principles-second-order-versions-and-tests-on-ground-state-potential-energy-curves-1702.03133"/></url>
<url><loc>https://scifaro.com/en/abs/restoring-the-pauli-principle-in-the-random-phase-approximation-ground-state-1702.03395</loc><lastmod>2017-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/restoring-the-pauli-principle-in-the-random-phase-approximation-ground-state-1702.03395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/restoring-the-pauli-principle-in-the-random-phase-approximation-ground-state-1702.03395"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-structure-of-manganese-phthalocyanine-modified-via-potassium-intercalation-a-comprehensive-experimental-study-1702.03575</loc><lastmod>2017-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-structure-of-manganese-phthalocyanine-modified-via-potassium-intercalation-a-comprehensive-experimental-study-1702.03575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-structure-of-manganese-phthalocyanine-modified-via-potassium-intercalation-a-comprehensive-experimental-study-1702.03575"/></url>
<url><loc>https://scifaro.com/en/abs/sliced-basis-density-matrix-renormalization-group-for-electronic-structure-1702.03650</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sliced-basis-density-matrix-renormalization-group-for-electronic-structure-1702.03650"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sliced-basis-density-matrix-renormalization-group-for-electronic-structure-1702.03650"/></url>
<url><loc>https://scifaro.com/en/abs/pah-chemistry-at-ev-internal-energies-2-ring-alteration-and-dissociation-1702.03826</loc><lastmod>2017-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pah-chemistry-at-ev-internal-energies-2-ring-alteration-and-dissociation-1702.03826"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pah-chemistry-at-ev-internal-energies-2-ring-alteration-and-dissociation-1702.03826"/></url>
<url><loc>https://scifaro.com/en/abs/an-atomic-scale-view-of-co-and-h2-oxidation-on-a-pt-fe3o4-model-catalyst-1702.03998</loc><lastmod>2017-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-atomic-scale-view-of-co-and-h2-oxidation-on-a-pt-fe3o4-model-catalyst-1702.03998"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-atomic-scale-view-of-co-and-h2-oxidation-on-a-pt-fe3o4-model-catalyst-1702.03998"/></url>
<url><loc>https://scifaro.com/en/abs/nanoscale-solid-state-batteries-enabled-by-thermal-atomic-layer-deposition-of-a-lithium-polyphosphazene-solid-state-electrolyte-1702.04009</loc><lastmod>2017-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanoscale-solid-state-batteries-enabled-by-thermal-atomic-layer-deposition-of-a-lithium-polyphosphazene-solid-state-electrolyte-1702.04009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanoscale-solid-state-batteries-enabled-by-thermal-atomic-layer-deposition-of-a-lithium-polyphosphazene-solid-state-electrolyte-1702.04009"/></url>
<url><loc>https://scifaro.com/en/abs/hidden-radical-reactivity-of-the-feo-2-group-of-the-hydro-oxide-species-in-the-h-abstraction-from-methane-a-dft-and-caspt2-study-1702.04092</loc><lastmod>2018-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hidden-radical-reactivity-of-the-feo-2-group-of-the-hydro-oxide-species-in-the-h-abstraction-from-methane-a-dft-and-caspt2-study-1702.04092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hidden-radical-reactivity-of-the-feo-2-group-of-the-hydro-oxide-species-in-the-h-abstraction-from-methane-a-dft-and-caspt2-study-1702.04092"/></url>
<url><loc>https://scifaro.com/en/abs/pah-chemistry-at-ev-internal-energies-1-h-shifted-isomers-1702.04186</loc><lastmod>2017-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pah-chemistry-at-ev-internal-energies-1-h-shifted-isomers-1702.04186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pah-chemistry-at-ev-internal-energies-1-h-shifted-isomers-1702.04186"/></url>
<url><loc>https://scifaro.com/en/abs/a-method-for-measurement-of-spin-spin-couplings-with-sub-mhz-precision-using-zero-to-ultralow-field-nuclear-magnetic-resonance-1702.04297</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-method-for-measurement-of-spin-spin-couplings-with-sub-mhz-precision-using-zero-to-ultralow-field-nuclear-magnetic-resonance-1702.04297"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-method-for-measurement-of-spin-spin-couplings-with-sub-mhz-precision-using-zero-to-ultralow-field-nuclear-magnetic-resonance-1702.04297"/></url>
<url><loc>https://scifaro.com/en/abs/novel-polystyrene-based-nanocomposites-by-phosphorene-dispersion-1702.04346</loc><lastmod>2017-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/novel-polystyrene-based-nanocomposites-by-phosphorene-dispersion-1702.04346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/novel-polystyrene-based-nanocomposites-by-phosphorene-dispersion-1702.04346"/></url>
<url><loc>https://scifaro.com/en/abs/facing-the-challenge-of-predicting-the-standard-formation-enthalpies-of-n-butyl-phosphate-species-with-ab-initio-methods-1702.04379</loc><lastmod>2017-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/facing-the-challenge-of-predicting-the-standard-formation-enthalpies-of-n-butyl-phosphate-species-with-ab-initio-methods-1702.04379"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/facing-the-challenge-of-predicting-the-standard-formation-enthalpies-of-n-butyl-phosphate-species-with-ab-initio-methods-1702.04379"/></url>
<url><loc>https://scifaro.com/en/abs/suppressing-ionic-terms-with-number-counting-jastrow-factors-in-real-space-1702.04864</loc><lastmod>2017-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/suppressing-ionic-terms-with-number-counting-jastrow-factors-in-real-space-1702.04864"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/suppressing-ionic-terms-with-number-counting-jastrow-factors-in-real-space-1702.04864"/></url>
<url><loc>https://scifaro.com/en/abs/multi-state-trajectory-approach-to-non-adiabatic-dynamics-general-formalism-and-the-active-state-trajectory-approximation-1702.04893</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-state-trajectory-approach-to-non-adiabatic-dynamics-general-formalism-and-the-active-state-trajectory-approximation-1702.04893"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-state-trajectory-approach-to-non-adiabatic-dynamics-general-formalism-and-the-active-state-trajectory-approximation-1702.04893"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-solvation-free-energies-of-charged-hard-spheres-using-molecular-dynamics-with-density-functional-theory-interactions-1702.05203</loc><lastmod>2017-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-solvation-free-energies-of-charged-hard-spheres-using-molecular-dynamics-with-density-functional-theory-interactions-1702.05203"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-solvation-free-energies-of-charged-hard-spheres-using-molecular-dynamics-with-density-functional-theory-interactions-1702.05203"/></url>
<url><loc>https://scifaro.com/en/abs/imaging-ultrafast-molecular-wavepackets-with-a-single-chirped-uv-pulse-1702.05269</loc><lastmod>2017-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-ultrafast-molecular-wavepackets-with-a-single-chirped-uv-pulse-1702.05269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-ultrafast-molecular-wavepackets-with-a-single-chirped-uv-pulse-1702.05269"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-o2-ion-mobility-in-dense-neon-gas-1702.05305</loc><lastmod>2017-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-o2-ion-mobility-in-dense-neon-gas-1702.05305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-o2-ion-mobility-in-dense-neon-gas-1702.05305"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-expansion-of-porous-carbon-electrodes-in-aqueous-solutions-according-to-the-donnan-model-1702.05310</loc><lastmod>2020-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-expansion-of-porous-carbon-electrodes-in-aqueous-solutions-according-to-the-donnan-model-1702.05310"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-expansion-of-porous-carbon-electrodes-in-aqueous-solutions-according-to-the-donnan-model-1702.05310"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-prediction-errors-better-than-dft-accuracy-1702.05532</loc><lastmod>2020-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-prediction-errors-better-than-dft-accuracy-1702.05532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-prediction-errors-better-than-dft-accuracy-1702.05532"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-storage-and-compression-1702.06015</loc><lastmod>2017-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-storage-and-compression-1702.06015"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-storage-and-compression-1702.06015"/></url>
<url><loc>https://scifaro.com/en/abs/intermediate-state-dependence-of-the-photoelectron-circular-dichroism-of-fenchone-observed-via-femtosecond-resonance-enhanced-multi-photon-ionization-1702.06023</loc><lastmod>2017-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intermediate-state-dependence-of-the-photoelectron-circular-dichroism-of-fenchone-observed-via-femtosecond-resonance-enhanced-multi-photon-ionization-1702.06023"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intermediate-state-dependence-of-the-photoelectron-circular-dichroism-of-fenchone-observed-via-femtosecond-resonance-enhanced-multi-photon-ionization-1702.06023"/></url>
<url><loc>https://scifaro.com/en/abs/endor-study-of-nitrogen-hyperfine-and-quadrupole-tensors-in-vanadyl-porphyrins-of-heavy-crude-oil-1702.06066</loc><lastmod>2017-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/endor-study-of-nitrogen-hyperfine-and-quadrupole-tensors-in-vanadyl-porphyrins-of-heavy-crude-oil-1702.06066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/endor-study-of-nitrogen-hyperfine-and-quadrupole-tensors-in-vanadyl-porphyrins-of-heavy-crude-oil-1702.06066"/></url>
<url><loc>https://scifaro.com/en/abs/minimally-corrected-partial-atomic-charges-for-non-covalent-electrostatic-interactions-1702.06225</loc><lastmod>2017-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/minimally-corrected-partial-atomic-charges-for-non-covalent-electrostatic-interactions-1702.06225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/minimally-corrected-partial-atomic-charges-for-non-covalent-electrostatic-interactions-1702.06225"/></url>
<url><loc>https://scifaro.com/en/abs/a-comparison-between-quantum-chemistry-and-quantum-monte-carlo-techniques-for-the-adsorption-of-water-on-the-001-lih-surface-1702.06368</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comparison-between-quantum-chemistry-and-quantum-monte-carlo-techniques-for-the-adsorption-of-water-on-the-001-lih-surface-1702.06368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comparison-between-quantum-chemistry-and-quantum-monte-carlo-techniques-for-the-adsorption-of-water-on-the-001-lih-surface-1702.06368"/></url>
<url><loc>https://scifaro.com/en/abs/humidity-effect-on-diffusion-and-structure-of-a-moisture-swing-co2-sorbent-1702.06534</loc><lastmod>2017-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/humidity-effect-on-diffusion-and-structure-of-a-moisture-swing-co2-sorbent-1702.06534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/humidity-effect-on-diffusion-and-structure-of-a-moisture-swing-co2-sorbent-1702.06534"/></url>
<url><loc>https://scifaro.com/en/abs/full-wave-function-optimization-with-quantum-monte-carlo-and-its-effect-on-the-dissociation-energy-of-fes-1702.06535</loc><lastmod>2017-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-wave-function-optimization-with-quantum-monte-carlo-and-its-effect-on-the-dissociation-energy-of-fes-1702.06535"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-wave-function-optimization-with-quantum-monte-carlo-and-its-effect-on-the-dissociation-energy-of-fes-1702.06535"/></url>
<url><loc>https://scifaro.com/en/abs/rapid-and-precise-determination-of-zero-field-splittings-by-terahertz-time-domain-electron-paramagnetic-resonance-spectroscopy-1702.06613</loc><lastmod>2018-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rapid-and-precise-determination-of-zero-field-splittings-by-terahertz-time-domain-electron-paramagnetic-resonance-spectroscopy-1702.06613"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rapid-and-precise-determination-of-zero-field-splittings-by-terahertz-time-domain-electron-paramagnetic-resonance-spectroscopy-1702.06613"/></url>
<url><loc>https://scifaro.com/en/abs/transport-band-gap-opening-at-metal-organic-interfaces-1702.06615</loc><lastmod>2017-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transport-band-gap-opening-at-metal-organic-interfaces-1702.06615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transport-band-gap-opening-at-metal-organic-interfaces-1702.06615"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-many-electron-wavefunctions-using-atomic-potentials-1702.06852</loc><lastmod>2022-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-many-electron-wavefunctions-using-atomic-potentials-1702.06852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-many-electron-wavefunctions-using-atomic-potentials-1702.06852"/></url>
<url><loc>https://scifaro.com/en/abs/organic-nanodiamonds-1702.06854</loc><lastmod>2017-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/organic-nanodiamonds-1702.06854"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/organic-nanodiamonds-1702.06854"/></url>
<url><loc>https://scifaro.com/en/abs/fractional-differential-and-fractional-integral-modified-bloch-equations-for-pfg-anomalous-diffusion-and-their-general-solutions-1702.07116</loc><lastmod>2017-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fractional-differential-and-fractional-integral-modified-bloch-equations-for-pfg-anomalous-diffusion-and-their-general-solutions-1702.07116"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fractional-differential-and-fractional-integral-modified-bloch-equations-for-pfg-anomalous-diffusion-and-their-general-solutions-1702.07116"/></url>
<url><loc>https://scifaro.com/en/abs/modelling-the-adsorption-of-fluoride-onto-activated-alumina-in-the-presence-of-other-ions-1702.07667</loc><lastmod>2017-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modelling-the-adsorption-of-fluoride-onto-activated-alumina-in-the-presence-of-other-ions-1702.07667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modelling-the-adsorption-of-fluoride-onto-activated-alumina-in-the-presence-of-other-ions-1702.07667"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-mechanical-perspective-on-linear-response-theory-within-polarizable-embedding-1702.07792</loc><lastmod>2017-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-mechanical-perspective-on-linear-response-theory-within-polarizable-embedding-1702.07792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-mechanical-perspective-on-linear-response-theory-within-polarizable-embedding-1702.07792"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-ab-initio-liquid-water-the-interplay-of-nuclear-and-electronic-quantum-effects-1702.07797</loc><lastmod>2017-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-ab-initio-liquid-water-the-interplay-of-nuclear-and-electronic-quantum-effects-1702.07797"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-ab-initio-liquid-water-the-interplay-of-nuclear-and-electronic-quantum-effects-1702.07797"/></url>
<url><loc>https://scifaro.com/en/abs/proton-dynamics-in-protein-mass-spectrometry-1702.07929</loc><lastmod>2017-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proton-dynamics-in-protein-mass-spectrometry-1702.07929"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proton-dynamics-in-protein-mass-spectrometry-1702.07929"/></url>
<url><loc>https://scifaro.com/en/abs/separating-current-from-potential-sweep-method-of-electrochemical-kinetics-for-supercapacitors-1702.08116</loc><lastmod>2017-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/separating-current-from-potential-sweep-method-of-electrochemical-kinetics-for-supercapacitors-1702.08116"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/separating-current-from-potential-sweep-method-of-electrochemical-kinetics-for-supercapacitors-1702.08116"/></url>
<url><loc>https://scifaro.com/en/abs/intermetallic-nanocrystals-syntheses-and-catalytic-applications-1702.08137</loc><lastmod>2018-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intermetallic-nanocrystals-syntheses-and-catalytic-applications-1702.08137"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intermetallic-nanocrystals-syntheses-and-catalytic-applications-1702.08137"/></url>
<url><loc>https://scifaro.com/en/abs/multiphase-porous-electrode-theory-1702.08432</loc><lastmod>2017-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiphase-porous-electrode-theory-1702.08432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiphase-porous-electrode-theory-1702.08432"/></url>
<url><loc>https://scifaro.com/en/abs/in-situ-characterization-of-nanoparticles-using-rayleigh-scattering-1702.08544</loc><lastmod>2017-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-situ-characterization-of-nanoparticles-using-rayleigh-scattering-1702.08544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-situ-characterization-of-nanoparticles-using-rayleigh-scattering-1702.08544"/></url>
<url><loc>https://scifaro.com/en/abs/exactly-solvable-schr-odinger-equation-with-double-well-potential-for-hydrogen-bond-1703.00007</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exactly-solvable-schr-odinger-equation-with-double-well-potential-for-hydrogen-bond-1703.00007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exactly-solvable-schr-odinger-equation-with-double-well-potential-for-hydrogen-bond-1703.00007"/></url>
<url><loc>https://scifaro.com/en/abs/acceleration-of-diffusion-in-ethylammonium-nitrate-ionic-liquid-confined-between-parallel-glass-plates-1703.00233</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/acceleration-of-diffusion-in-ethylammonium-nitrate-ionic-liquid-confined-between-parallel-glass-plates-1703.00233"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/acceleration-of-diffusion-in-ethylammonium-nitrate-ionic-liquid-confined-between-parallel-glass-plates-1703.00233"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-absorption-of-tetrathiafulvalene-radical-cation-ttf-based-charge-transfer-ct-aggregates-in-pmma-1703.00388</loc><lastmod>2017-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-absorption-of-tetrathiafulvalene-radical-cation-ttf-based-charge-transfer-ct-aggregates-in-pmma-1703.00388"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-absorption-of-tetrathiafulvalene-radical-cation-ttf-based-charge-transfer-ct-aggregates-in-pmma-1703.00388"/></url>
<url><loc>https://scifaro.com/en/abs/proton-tunneling-in-hydrogen-bonds-and-its-implications-in-an-induced-fit-model-of-enzyme-catalysis-1703.00789</loc><lastmod>2018-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proton-tunneling-in-hydrogen-bonds-and-its-implications-in-an-induced-fit-model-of-enzyme-catalysis-1703.00789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proton-tunneling-in-hydrogen-bonds-and-its-implications-in-an-induced-fit-model-of-enzyme-catalysis-1703.00789"/></url>
<url><loc>https://scifaro.com/en/abs/recurrence-relations-for-four-electron-integrals-over-gaussian-basis-functions-1703.00846</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recurrence-relations-for-four-electron-integrals-over-gaussian-basis-functions-1703.00846"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recurrence-relations-for-four-electron-integrals-over-gaussian-basis-functions-1703.00846"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-steady-state-dissolution-flux-in-reactive-convective-dissolution-1703.01125</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-steady-state-dissolution-flux-in-reactive-convective-dissolution-1703.01125"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-steady-state-dissolution-flux-in-reactive-convective-dissolution-1703.01125"/></url>
<url><loc>https://scifaro.com/en/abs/interpolated-energy-densities-correlation-indicators-and-lower-bounds-from-approximations-to-the-strong-coupling-limit-of-dft-1703.01456</loc><lastmod>2017-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpolated-energy-densities-correlation-indicators-and-lower-bounds-from-approximations-to-the-strong-coupling-limit-of-dft-1703.01456"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpolated-energy-densities-correlation-indicators-and-lower-bounds-from-approximations-to-the-strong-coupling-limit-of-dft-1703.01456"/></url>
<url><loc>https://scifaro.com/en/abs/introducing-time-dependent-molecular-fields-derivation-of-the-wave-equations-1703.01462</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/introducing-time-dependent-molecular-fields-derivation-of-the-wave-equations-1703.01462"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/introducing-time-dependent-molecular-fields-derivation-of-the-wave-equations-1703.01462"/></url>
<url><loc>https://scifaro.com/en/abs/the-special-theory-of-relativity-as-applied-to-the-born-oppenheimer-huang-approach-1703.01464</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-special-theory-of-relativity-as-applied-to-the-born-oppenheimer-huang-approach-1703.01464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-special-theory-of-relativity-as-applied-to-the-born-oppenheimer-huang-approach-1703.01464"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-transformations-approaching-chemical-accuracy-via-correlated-sampling-in-auxiliary-field-quantum-monte-carlo-1703.01545</loc><lastmod>2017-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-transformations-approaching-chemical-accuracy-via-correlated-sampling-in-auxiliary-field-quantum-monte-carlo-1703.01545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-transformations-approaching-chemical-accuracy-via-correlated-sampling-in-auxiliary-field-quantum-monte-carlo-1703.01545"/></url>
<url><loc>https://scifaro.com/en/abs/reliable-estimation-of-prediction-uncertainty-for-physico-chemical-property-models-1703.01685</loc><lastmod>2017-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reliable-estimation-of-prediction-uncertainty-for-physico-chemical-property-models-1703.01685"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reliable-estimation-of-prediction-uncertainty-for-physico-chemical-property-models-1703.01685"/></url>
<url><loc>https://scifaro.com/en/abs/indirect-observation-of-molecular-disassociation-in-solid-benzene-at-low-temperatures-1703.01719</loc><lastmod>2017-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/indirect-observation-of-molecular-disassociation-in-solid-benzene-at-low-temperatures-1703.01719"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/indirect-observation-of-molecular-disassociation-in-solid-benzene-at-low-temperatures-1703.01719"/></url>
<url><loc>https://scifaro.com/en/abs/microscopic-dynamics-of-charge-separation-at-the-aqueous-electrochemical-interface-1703.02216</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microscopic-dynamics-of-charge-separation-at-the-aqueous-electrochemical-interface-1703.02216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microscopic-dynamics-of-charge-separation-at-the-aqueous-electrochemical-interface-1703.02216"/></url>
<url><loc>https://scifaro.com/en/abs/variational-principle-for-the-determination-of-unstable-periodic-orbits-and-instanton-trajectories-at-saddle-points-1703.02472</loc><lastmod>2017-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-principle-for-the-determination-of-unstable-periodic-orbits-and-instanton-trajectories-at-saddle-points-1703.02472"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-principle-for-the-determination-of-unstable-periodic-orbits-and-instanton-trajectories-at-saddle-points-1703.02472"/></url>
<url><loc>https://scifaro.com/en/abs/dealing-with-the-exponential-wall-in-electronic-structure-calculations-1703.02572</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dealing-with-the-exponential-wall-in-electronic-structure-calculations-1703.02572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dealing-with-the-exponential-wall-in-electronic-structure-calculations-1703.02572"/></url>
<url><loc>https://scifaro.com/en/abs/full-dimensional-theory-of-pair-correlated-hnco-photofragmentation-1703.02785</loc><lastmod>2017-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-dimensional-theory-of-pair-correlated-hnco-photofragmentation-1703.02785"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-dimensional-theory-of-pair-correlated-hnco-photofragmentation-1703.02785"/></url>
<url><loc>https://scifaro.com/en/abs/a-novel-thiophene-fused-ending-group-enabling-an-excellent-small-molecule-acceptor-for-high-performance-fullerene-free-polymer-solar-cells-with-11-8-efficiency-1703.02896</loc><lastmod>2017-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-novel-thiophene-fused-ending-group-enabling-an-excellent-small-molecule-acceptor-for-high-performance-fullerene-free-polymer-solar-cells-with-11-8-efficiency-1703.02896"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-novel-thiophene-fused-ending-group-enabling-an-excellent-small-molecule-acceptor-for-high-performance-fullerene-free-polymer-solar-cells-with-11-8-efficiency-1703.02896"/></url>
<url><loc>https://scifaro.com/en/abs/quasirelativistic-potential-energy-curves-of-narb-for-direct-spectra-interpretation-1703.03394</loc><lastmod>2017-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasirelativistic-potential-energy-curves-of-narb-for-direct-spectra-interpretation-1703.03394"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasirelativistic-potential-energy-curves-of-narb-for-direct-spectra-interpretation-1703.03394"/></url>
<url><loc>https://scifaro.com/en/abs/adverse-effects-of-polymer-coating-on-heat-transport-at-solid-liquid-interface-1703.03548</loc><lastmod>2017-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adverse-effects-of-polymer-coating-on-heat-transport-at-solid-liquid-interface-1703.03548"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adverse-effects-of-polymer-coating-on-heat-transport-at-solid-liquid-interface-1703.03548"/></url>
<url><loc>https://scifaro.com/en/abs/real-single-ion-solvation-free-energies-with-quantum-mechanical-simulation-1703.03865</loc><lastmod>2017-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-single-ion-solvation-free-energies-with-quantum-mechanical-simulation-1703.03865"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-single-ion-solvation-free-energies-with-quantum-mechanical-simulation-1703.03865"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-nonadiabatic-cloning-of-entangled-coherent-states-1703.04005</loc><lastmod>2017-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-nonadiabatic-cloning-of-entangled-coherent-states-1703.04005"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-nonadiabatic-cloning-of-entangled-coherent-states-1703.04005"/></url>
<url><loc>https://scifaro.com/en/abs/dftbaby-a-software-package-for-non-adiabatic-molecular-dynamics-simulations-based-on-long-range-corrected-tight-binding-td-dft-b-1703.04049</loc><lastmod>2017-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dftbaby-a-software-package-for-non-adiabatic-molecular-dynamics-simulations-based-on-long-range-corrected-tight-binding-td-dft-b-1703.04049"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dftbaby-a-software-package-for-non-adiabatic-molecular-dynamics-simulations-based-on-long-range-corrected-tight-binding-td-dft-b-1703.04049"/></url>
<url><loc>https://scifaro.com/en/abs/submolecular-resolution-non-invasive-imaging-of-interfacial-water-with-atomic-force-microscopy-1703.04400</loc><lastmod>2017-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/submolecular-resolution-non-invasive-imaging-of-interfacial-water-with-atomic-force-microscopy-1703.04400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/submolecular-resolution-non-invasive-imaging-of-interfacial-water-with-atomic-force-microscopy-1703.04400"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-methods-for-the-inverse-problem-of-density-functional-theory-1703.04553</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-methods-for-the-inverse-problem-of-density-functional-theory-1703.04553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-methods-for-the-inverse-problem-of-density-functional-theory-1703.04553"/></url>
<url><loc>https://scifaro.com/en/abs/spin-projected-matrix-product-states-sp-mps-a-versatile-tool-for-strongly-correlated-systems-1703.04789</loc><lastmod>2017-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-projected-matrix-product-states-sp-mps-a-versatile-tool-for-strongly-correlated-systems-1703.04789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-projected-matrix-product-states-sp-mps-a-versatile-tool-for-strongly-correlated-systems-1703.04789"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-stochastic-deterministic-calculation-of-the-second-order-perturbative-contribution-of-multireference-perturbation-theory-1703.05347</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-stochastic-deterministic-calculation-of-the-second-order-perturbative-contribution-of-multireference-perturbation-theory-1703.05347"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-stochastic-deterministic-calculation-of-the-second-order-perturbative-contribution-of-multireference-perturbation-theory-1703.05347"/></url>
<url><loc>https://scifaro.com/en/abs/unravelling-the-influence-of-quantum-proton-delocalization-on-electronic-charge-transfer-through-the-hydrogen-bond-1703.06243</loc><lastmod>2018-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unravelling-the-influence-of-quantum-proton-delocalization-on-electronic-charge-transfer-through-the-hydrogen-bond-1703.06243"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unravelling-the-influence-of-quantum-proton-delocalization-on-electronic-charge-transfer-through-the-hydrogen-bond-1703.06243"/></url>
<url><loc>https://scifaro.com/en/abs/localized-electron-wave-packet-description-of-chemical-bond-and-excitation-floating-and-breathing-gaussian-with-valence-bond-coupling-1703.06400</loc><lastmod>2018-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/localized-electron-wave-packet-description-of-chemical-bond-and-excitation-floating-and-breathing-gaussian-with-valence-bond-coupling-1703.06400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/localized-electron-wave-packet-description-of-chemical-bond-and-excitation-floating-and-breathing-gaussian-with-valence-bond-coupling-1703.06400"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-two-hybrid-van-der-waals-density-functionals-for-covalent-and-non-covalent-binding-of-molecules-1703.06517</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-two-hybrid-van-der-waals-density-functionals-for-covalent-and-non-covalent-binding-of-molecules-1703.06517"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-two-hybrid-van-der-waals-density-functionals-for-covalent-and-non-covalent-binding-of-molecules-1703.06517"/></url>
<url><loc>https://scifaro.com/en/abs/bonding-charge-distribution-analysis-of-molecule-by-computation-of-interatomic-charge-penetration-1703.06564</loc><lastmod>2017-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bonding-charge-distribution-analysis-of-molecule-by-computation-of-interatomic-charge-penetration-1703.06564"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bonding-charge-distribution-analysis-of-molecule-by-computation-of-interatomic-charge-penetration-1703.06564"/></url>
<url><loc>https://scifaro.com/en/abs/zeroth-order-regular-approximation-approach-to-electric-dipole-moment-interactions-of-the-electron-1703.06838</loc><lastmod>2023-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zeroth-order-regular-approximation-approach-to-electric-dipole-moment-interactions-of-the-electron-1703.06838"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zeroth-order-regular-approximation-approach-to-electric-dipole-moment-interactions-of-the-electron-1703.06838"/></url>
<url><loc>https://scifaro.com/en/abs/complexity-reduction-in-large-quantum-systems-reliable-electrostatic-embedding-for-multiscale-approaches-via-optimized-minimal-basis-functions-1703.06906</loc><lastmod>2017-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complexity-reduction-in-large-quantum-systems-reliable-electrostatic-embedding-for-multiscale-approaches-via-optimized-minimal-basis-functions-1703.06906"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complexity-reduction-in-large-quantum-systems-reliable-electrostatic-embedding-for-multiscale-approaches-via-optimized-minimal-basis-functions-1703.06906"/></url>
<url><loc>https://scifaro.com/en/abs/mass-density-fluctuations-in-quantum-and-classical-descriptions-of-liquid-water-1703.06940</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mass-density-fluctuations-in-quantum-and-classical-descriptions-of-liquid-water-1703.06940"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mass-density-fluctuations-in-quantum-and-classical-descriptions-of-liquid-water-1703.06940"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-self-energy-embedding-theory-1703.06981</loc><lastmod>2018-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-self-energy-embedding-theory-1703.06981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-self-energy-embedding-theory-1703.06981"/></url>
<url><loc>https://scifaro.com/en/abs/cold-ion-chemistry-1703.07133</loc><lastmod>2017-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-ion-chemistry-1703.07133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-ion-chemistry-1703.07133"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-study-of-chemical-reactions-of-cold-srf-and-caf-molecules-with-alkali-metal-and-alkaline-earth-metal-atoms-1703.07192</loc><lastmod>2017-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-study-of-chemical-reactions-of-cold-srf-and-caf-molecules-with-alkali-metal-and-alkaline-earth-metal-atoms-1703.07192"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-study-of-chemical-reactions-of-cold-srf-and-caf-molecules-with-alkali-metal-and-alkaline-earth-metal-atoms-1703.07192"/></url>
<url><loc>https://scifaro.com/en/abs/laplace-transformed-multi-reference-second-order-perturbation-theories-in-the-atomic-and-active-molecular-orbital-basis-1703.07204</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laplace-transformed-multi-reference-second-order-perturbation-theories-in-the-atomic-and-active-molecular-orbital-basis-1703.07204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laplace-transformed-multi-reference-second-order-perturbation-theories-in-the-atomic-and-active-molecular-orbital-basis-1703.07204"/></url>
<url><loc>https://scifaro.com/en/abs/generalization-of-the-concepts-of-seniority-number-and-ionicity-1703.07352</loc><lastmod>2017-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalization-of-the-concepts-of-seniority-number-and-ionicity-1703.07352"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalization-of-the-concepts-of-seniority-number-and-ionicity-1703.07352"/></url>
<url><loc>https://scifaro.com/en/abs/probing-laser-induced-microenvironment-changes-in-room-temperature-ionic-liquids-1703.07577</loc><lastmod>2017-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-laser-induced-microenvironment-changes-in-room-temperature-ionic-liquids-1703.07577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-laser-induced-microenvironment-changes-in-room-temperature-ionic-liquids-1703.07577"/></url>
<url><loc>https://scifaro.com/en/abs/magnetic-field-effects-on-dynamics-of-the-ethylammonium-nitrate-ionic-liquid-confined-between-polar-glass-plates-1703.07648</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetic-field-effects-on-dynamics-of-the-ethylammonium-nitrate-ionic-liquid-confined-between-polar-glass-plates-1703.07648"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetic-field-effects-on-dynamics-of-the-ethylammonium-nitrate-ionic-liquid-confined-between-polar-glass-plates-1703.07648"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-signatures-of-anisotropic-resonance-energy-transfer-in-dye-functionalized-nanoparticles-1703.07681</loc><lastmod>2017-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-signatures-of-anisotropic-resonance-energy-transfer-in-dye-functionalized-nanoparticles-1703.07681"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-signatures-of-anisotropic-resonance-energy-transfer-in-dye-functionalized-nanoparticles-1703.07681"/></url>
<url><loc>https://scifaro.com/en/abs/electro-oxidation-of-ni42-steel-a-highly-active-bifunctional-electrocatalyst-1703.07775</loc><lastmod>2017-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electro-oxidation-of-ni42-steel-a-highly-active-bifunctional-electrocatalyst-1703.07775"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electro-oxidation-of-ni42-steel-a-highly-active-bifunctional-electrocatalyst-1703.07775"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-of-molecules-confined-in-nanocages-a-deuteron-nmr-study-at-high-temperature-1703.07850</loc><lastmod>2017-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-of-molecules-confined-in-nanocages-a-deuteron-nmr-study-at-high-temperature-1703.07850"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-of-molecules-confined-in-nanocages-a-deuteron-nmr-study-at-high-temperature-1703.07850"/></url>
<url><loc>https://scifaro.com/en/abs/properties-of-hydrogen-bonds-in-the-protic-ionic-liquid-ethylammonium-nitrate-dft-versus-dftb-molecular-dynamics-1703.08130</loc><lastmod>2017-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/properties-of-hydrogen-bonds-in-the-protic-ionic-liquid-ethylammonium-nitrate-dft-versus-dftb-molecular-dynamics-1703.08130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/properties-of-hydrogen-bonds-in-the-protic-ionic-liquid-ethylammonium-nitrate-dft-versus-dftb-molecular-dynamics-1703.08130"/></url>
<url><loc>https://scifaro.com/en/abs/a-comparative-study-of-resists-and-lithographic-tools-using-the-lumped-parameter-model-1703.08229</loc><lastmod>2017-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comparative-study-of-resists-and-lithographic-tools-using-the-lumped-parameter-model-1703.08229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comparative-study-of-resists-and-lithographic-tools-using-the-lumped-parameter-model-1703.08229"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-bonding-characterization-in-water-and-small-molecules-1703.08542</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-bonding-characterization-in-water-and-small-molecules-1703.08542"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-bonding-characterization-in-water-and-small-molecules-1703.08542"/></url>
<url><loc>https://scifaro.com/en/abs/bond-energies-from-a-diatomics-in-molecules-neural-network-1703.08640</loc><lastmod>2017-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bond-energies-from-a-diatomics-in-molecules-neural-network-1703.08640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bond-energies-from-a-diatomics-in-molecules-neural-network-1703.08640"/></url>
<url><loc>https://scifaro.com/en/abs/a-fractionally-ionic-approach-to-polarizability-and-van-der-waals-many-body-dispersion-calculations-1703.08786</loc><lastmod>2017-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-fractionally-ionic-approach-to-polarizability-and-van-der-waals-many-body-dispersion-calculations-1703.08786"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-fractionally-ionic-approach-to-polarizability-and-van-der-waals-many-body-dispersion-calculations-1703.08786"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-density-matrix-renormalization-group-1703.09313</loc><lastmod>2017-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-density-matrix-renormalization-group-1703.09313"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-density-matrix-renormalization-group-1703.09313"/></url>
<url><loc>https://scifaro.com/en/abs/a-general-method-to-describe-intersystem-crossing-dynamics-in-trajectory-surface-hopping-1703.09456</loc><lastmod>2017-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-general-method-to-describe-intersystem-crossing-dynamics-in-trajectory-surface-hopping-1703.09456"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-general-method-to-describe-intersystem-crossing-dynamics-in-trajectory-surface-hopping-1703.09456"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-decoherence-following-photoionization-full-quantum-dynamical-treatment-of-the-influence-of-nuclear-motion-1703.09462</loc><lastmod>2017-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-decoherence-following-photoionization-full-quantum-dynamical-treatment-of-the-influence-of-nuclear-motion-1703.09462"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-decoherence-following-photoionization-full-quantum-dynamical-treatment-of-the-influence-of-nuclear-motion-1703.09462"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-of-nucleobases-from-a-computational-perspective-ii-dynamics-1703.09483</loc><lastmod>2017-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-of-nucleobases-from-a-computational-perspective-ii-dynamics-1703.09483"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-of-nucleobases-from-a-computational-perspective-ii-dynamics-1703.09483"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-intersystem-crossing-in-so-2-and-nucleobases-1703.09494</loc><lastmod>2021-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-intersystem-crossing-in-so-2-and-nucleobases-1703.09494"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-intersystem-crossing-in-so-2-and-nucleobases-1703.09494"/></url>
<url><loc>https://scifaro.com/en/abs/accessing-dark-states-optically-through-excitation-ferrying-states-1703.09614</loc><lastmod>2017-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accessing-dark-states-optically-through-excitation-ferrying-states-1703.09614"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accessing-dark-states-optically-through-excitation-ferrying-states-1703.09614"/></url>
<url><loc>https://scifaro.com/en/abs/on-surface-pseudo-high-dilution-synthesis-of-macrocycles-principle-and-mechanism-1703.10018</loc><lastmod>2017-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-surface-pseudo-high-dilution-synthesis-of-macrocycles-principle-and-mechanism-1703.10018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-surface-pseudo-high-dilution-synthesis-of-macrocycles-principle-and-mechanism-1703.10018"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-water-adsorption-on-isoelectronically-doped-graphene-using-alchemical-derivatives-1703.10083</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-water-adsorption-on-isoelectronically-doped-graphene-using-alchemical-derivatives-1703.10083"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-water-adsorption-on-isoelectronically-doped-graphene-using-alchemical-derivatives-1703.10083"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-self-referenced-coherent-diffraction-x-ray-movie-of-aa-ngstrom-and-femtosecond-scale-atomic-motion-1703.10113</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-self-referenced-coherent-diffraction-x-ray-movie-of-aa-ngstrom-and-femtosecond-scale-atomic-motion-1703.10113"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-self-referenced-coherent-diffraction-x-ray-movie-of-aa-ngstrom-and-femtosecond-scale-atomic-motion-1703.10113"/></url>
<url><loc>https://scifaro.com/en/abs/organic-inorganic-hybrid-ch3nh3pbi3-perovskite-solar-cell-nanoclusters-revealing-ultra-strong-hydrogen-bonding-and-mulliken-inner-complexes-and-their-implication-in-materials-design-1703.10286</loc><lastmod>2017-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/organic-inorganic-hybrid-ch3nh3pbi3-perovskite-solar-cell-nanoclusters-revealing-ultra-strong-hydrogen-bonding-and-mulliken-inner-complexes-and-their-implication-in-materials-design-1703.10286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/organic-inorganic-hybrid-ch3nh3pbi3-perovskite-solar-cell-nanoclusters-revealing-ultra-strong-hydrogen-bonding-and-mulliken-inner-complexes-and-their-implication-in-materials-design-1703.10286"/></url>
<url><loc>https://scifaro.com/en/abs/minimum-energy-path-calculations-with-gaussian-process-regression-1703.10423</loc><lastmod>2017-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/minimum-energy-path-calculations-with-gaussian-process-regression-1703.10423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/minimum-energy-path-calculations-with-gaussian-process-regression-1703.10423"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-structure-and-time-dependent-description-of-rotational-predissociation-of-lih-1703.10629</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-structure-and-time-dependent-description-of-rotational-predissociation-of-lih-1703.10629"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-structure-and-time-dependent-description-of-rotational-predissociation-of-lih-1703.10629"/></url>
<url><loc>https://scifaro.com/en/abs/direct-extraction-of-excitation-energies-from-ensemble-density-functional-theory-1703.10738</loc><lastmod>2017-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-extraction-of-excitation-energies-from-ensemble-density-functional-theory-1703.10738"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-extraction-of-excitation-energies-from-ensemble-density-functional-theory-1703.10738"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-n-electron-valence-perturbation-theory-with-matrix-product-state-reference-wavefunctions-for-large-active-spaces-and-basis-sets-applications-to-the-chromium-dimer-and-all-trans-polyenes-1703.10830</loc><lastmod>2018-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-n-electron-valence-perturbation-theory-with-matrix-product-state-reference-wavefunctions-for-large-active-spaces-and-basis-sets-applications-to-the-chromium-dimer-and-all-trans-polyenes-1703.10830"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-n-electron-valence-perturbation-theory-with-matrix-product-state-reference-wavefunctions-for-large-active-spaces-and-basis-sets-applications-to-the-chromium-dimer-and-all-trans-polyenes-1703.10830"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-charge-transfer-processes-accompanying-kll-auger-decay-in-aqueous-kcl-solution-1704.00065</loc><lastmod>2018-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-charge-transfer-processes-accompanying-kll-auger-decay-in-aqueous-kcl-solution-1704.00065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-charge-transfer-processes-accompanying-kll-auger-decay-in-aqueous-kcl-solution-1704.00065"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-propagation-hilbert-space-vs-wigner-representation-1704.00477</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-propagation-hilbert-space-vs-wigner-representation-1704.00477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-propagation-hilbert-space-vs-wigner-representation-1704.00477"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-computation-of-sparse-matrix-functions-for-large-scale-electronic-structure-calculations-the-chess-library-1704.00512</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-computation-of-sparse-matrix-functions-for-large-scale-electronic-structure-calculations-the-chess-library-1704.00512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-computation-of-sparse-matrix-functions-for-large-scale-electronic-structure-calculations-the-chess-library-1704.00512"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-stability-of-driven-open-systems-and-control-of-phase-separation-by-electro-autocatalysis-1704.00608</loc><lastmod>2017-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-stability-of-driven-open-systems-and-control-of-phase-separation-by-electro-autocatalysis-1704.00608"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-stability-of-driven-open-systems-and-control-of-phase-separation-by-electro-autocatalysis-1704.00608"/></url>
<url><loc>https://scifaro.com/en/abs/rechargeable-redox-flow-batteries-maximum-current-density-with-electrolyte-flow-reactant-penetration-in-a-serpentine-flow-structure-1704.00744</loc><lastmod>2017-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rechargeable-redox-flow-batteries-maximum-current-density-with-electrolyte-flow-reactant-penetration-in-a-serpentine-flow-structure-1704.00744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rechargeable-redox-flow-batteries-maximum-current-density-with-electrolyte-flow-reactant-penetration-in-a-serpentine-flow-structure-1704.00744"/></url>
<url><loc>https://scifaro.com/en/abs/photo-chemically-directed-self-assembly-of-carbon-nanotubes-on-surfaces-1704.01230</loc><lastmod>2017-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photo-chemically-directed-self-assembly-of-carbon-nanotubes-on-surfaces-1704.01230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photo-chemically-directed-self-assembly-of-carbon-nanotubes-on-surfaces-1704.01230"/></url>
<url><loc>https://scifaro.com/en/abs/capacitance-performance-of-sub-2-nm-graphene-nanochannels-in-aqueous-electrolyte-1704.01258</loc><lastmod>2017-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/capacitance-performance-of-sub-2-nm-graphene-nanochannels-in-aqueous-electrolyte-1704.01258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/capacitance-performance-of-sub-2-nm-graphene-nanochannels-in-aqueous-electrolyte-1704.01258"/></url>
<url><loc>https://scifaro.com/en/abs/ionic-behavior-in-highly-concentrated-aqueous-solutions-nanoconfined-between-discretely-charged-silicon-surfaces-1704.01259</loc><lastmod>2017-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionic-behavior-in-highly-concentrated-aqueous-solutions-nanoconfined-between-discretely-charged-silicon-surfaces-1704.01259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionic-behavior-in-highly-concentrated-aqueous-solutions-nanoconfined-between-discretely-charged-silicon-surfaces-1704.01259"/></url>
<url><loc>https://scifaro.com/en/abs/near-ir-photoluminescence-of-c60-and-implications-for-astronomy-1704.01516</loc><lastmod>2017-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-ir-photoluminescence-of-c60-and-implications-for-astronomy-1704.01516"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-ir-photoluminescence-of-c60-and-implications-for-astronomy-1704.01516"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-triplet-pair-formation-and-subsequent-thermally-activated-dissociation-control-efficient-endothermic-singlet-exciton-fission-1704.01695</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-triplet-pair-formation-and-subsequent-thermally-activated-dissociation-control-efficient-endothermic-singlet-exciton-fission-1704.01695"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-triplet-pair-formation-and-subsequent-thermally-activated-dissociation-control-efficient-endothermic-singlet-exciton-fission-1704.01695"/></url>
<url><loc>https://scifaro.com/en/abs/structure-dynamics-relation-in-physically-plausible-multi-chromophore-systems-1704.01795</loc><lastmod>2017-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-dynamics-relation-in-physically-plausible-multi-chromophore-systems-1704.01795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-dynamics-relation-in-physically-plausible-multi-chromophore-systems-1704.01795"/></url>
<url><loc>https://scifaro.com/en/abs/a-stochastic-formulation-of-the-resolution-of-identity-application-to-second-order-m-o-ller-plesset-perturbation-theory-1704.02044</loc><lastmod>2017-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-stochastic-formulation-of-the-resolution-of-identity-application-to-second-order-m-o-ller-plesset-perturbation-theory-1704.02044"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-stochastic-formulation-of-the-resolution-of-identity-application-to-second-order-m-o-ller-plesset-perturbation-theory-1704.02044"/></url>
<url><loc>https://scifaro.com/en/abs/igvpt2-an-interface-to-computational-chemistry-packages-for-anharmonic-corrections-to-vibrational-frequencies-1704.02144</loc><lastmod>2017-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/igvpt2-an-interface-to-computational-chemistry-packages-for-anharmonic-corrections-to-vibrational-frequencies-1704.02144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/igvpt2-an-interface-to-computational-chemistry-packages-for-anharmonic-corrections-to-vibrational-frequencies-1704.02144"/></url>
<url><loc>https://scifaro.com/en/abs/emitter-site-selective-photoelectron-circular-dichroism-of-trifluoromethyloxirane-1704.02265</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/emitter-site-selective-photoelectron-circular-dichroism-of-trifluoromethyloxirane-1704.02265"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/emitter-site-selective-photoelectron-circular-dichroism-of-trifluoromethyloxirane-1704.02265"/></url>
<url><loc>https://scifaro.com/en/abs/derivation-of-time-dependent-transition-probability-for-2-mathrm-e-2-mathrm-h-generation-from-1-mathrm-e-1-mathrm-h-state-in-the-presence-of-external-electromagnetic-field-1704.02428</loc><lastmod>2017-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/derivation-of-time-dependent-transition-probability-for-2-mathrm-e-2-mathrm-h-generation-from-1-mathrm-e-1-mathrm-h-state-in-the-presence-of-external-electromagnetic-field-1704.02428"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/derivation-of-time-dependent-transition-probability-for-2-mathrm-e-2-mathrm-h-generation-from-1-mathrm-e-1-mathrm-h-state-in-the-presence-of-external-electromagnetic-field-1704.02428"/></url>
<url><loc>https://scifaro.com/en/abs/andersen-weeks-chandler-perturbation-theory-and-one-component-sticky-hard-spheres-1704.03131</loc><lastmod>2017-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/andersen-weeks-chandler-perturbation-theory-and-one-component-sticky-hard-spheres-1704.03131"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/andersen-weeks-chandler-perturbation-theory-and-one-component-sticky-hard-spheres-1704.03131"/></url>
<url><loc>https://scifaro.com/en/abs/radiative-and-collisional-processes-in-translationally-cold-samples-of-hydrogen-rydberg-atoms-studied-in-an-electrostatic-trap-1704.03278</loc><lastmod>2017-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/radiative-and-collisional-processes-in-translationally-cold-samples-of-hydrogen-rydberg-atoms-studied-in-an-electrostatic-trap-1704.03278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/radiative-and-collisional-processes-in-translationally-cold-samples-of-hydrogen-rydberg-atoms-studied-in-an-electrostatic-trap-1704.03278"/></url>
<url><loc>https://scifaro.com/en/abs/spin-orbit-coupling-and-rovibrational-structure-in-the-iododiacetylene-radical-cation-by-pfi-zeke-photoelectron-spectroscopy-1704.03280</loc><lastmod>2017-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-orbit-coupling-and-rovibrational-structure-in-the-iododiacetylene-radical-cation-by-pfi-zeke-photoelectron-spectroscopy-1704.03280"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-orbit-coupling-and-rovibrational-structure-in-the-iododiacetylene-radical-cation-by-pfi-zeke-photoelectron-spectroscopy-1704.03280"/></url>
<url><loc>https://scifaro.com/en/abs/conformational-entropy-as-collective-variable-for-proteins-1704.03344</loc><lastmod>2017-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformational-entropy-as-collective-variable-for-proteins-1704.03344"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformational-entropy-as-collective-variable-for-proteins-1704.03344"/></url>
<url><loc>https://scifaro.com/en/abs/strongly-aligned-molecules-inside-helium-droplets-in-the-near-adiabatic-regime-1704.03684</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strongly-aligned-molecules-inside-helium-droplets-in-the-near-adiabatic-regime-1704.03684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strongly-aligned-molecules-inside-helium-droplets-in-the-near-adiabatic-regime-1704.03684"/></url>
<url><loc>https://scifaro.com/en/abs/overcoming-the-limitations-of-the-martini-force-field-in-molecular-dynamics-simulations-of-polysaccharides-1704.03773</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/overcoming-the-limitations-of-the-martini-force-field-in-molecular-dynamics-simulations-of-polysaccharides-1704.03773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/overcoming-the-limitations-of-the-martini-force-field-in-molecular-dynamics-simulations-of-polysaccharides-1704.03773"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-reaction-coordinates-in-energy-landscapes-with-diffusion-anisotropy-1704.03912</loc><lastmod>2017-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-reaction-coordinates-in-energy-landscapes-with-diffusion-anisotropy-1704.03912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-reaction-coordinates-in-energy-landscapes-with-diffusion-anisotropy-1704.03912"/></url>
<url><loc>https://scifaro.com/en/abs/infrared-spectra-of-neutral-bent-carbon-dioxide-1704.03996</loc><lastmod>2017-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infrared-spectra-of-neutral-bent-carbon-dioxide-1704.03996"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infrared-spectra-of-neutral-bent-carbon-dioxide-1704.03996"/></url>
<url><loc>https://scifaro.com/en/abs/size-based-ion-selectivity-of-micropore-electric-double-layers-in-capacitive-deionization-electrodes-1704.04156</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-based-ion-selectivity-of-micropore-electric-double-layers-in-capacitive-deionization-electrodes-1704.04156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-based-ion-selectivity-of-micropore-electric-double-layers-in-capacitive-deionization-electrodes-1704.04156"/></url>
<url><loc>https://scifaro.com/en/abs/combining-slater-type-orbitals-and-effective-core-potentials-1704.04431</loc><lastmod>2017-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-slater-type-orbitals-and-effective-core-potentials-1704.04431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-slater-type-orbitals-and-effective-core-potentials-1704.04431"/></url>
<url><loc>https://scifaro.com/en/abs/fine-tuning-classical-and-quantum-molecular-dynamics-using-a-generalized-langevin-equation-1704.05099</loc><lastmod>2017-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fine-tuning-classical-and-quantum-molecular-dynamics-using-a-generalized-langevin-equation-1704.05099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fine-tuning-classical-and-quantum-molecular-dynamics-using-a-generalized-langevin-equation-1704.05099"/></url>
<url><loc>https://scifaro.com/en/abs/can-approximate-integral-equation-theories-accurately-predict-solvation-thermodynamics-1704.05246</loc><lastmod>2017-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-approximate-integral-equation-theories-accurately-predict-solvation-thermodynamics-1704.05246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-approximate-integral-equation-theories-accurately-predict-solvation-thermodynamics-1704.05246"/></url>
<url><loc>https://scifaro.com/en/abs/local-protein-solvation-drives-direct-down-conversion-in-phycobiliprotein-pc645-via-incoherent-vibronic-transport-1704.05449</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-protein-solvation-drives-direct-down-conversion-in-phycobiliprotein-pc645-via-incoherent-vibronic-transport-1704.05449"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-protein-solvation-drives-direct-down-conversion-in-phycobiliprotein-pc645-via-incoherent-vibronic-transport-1704.05449"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-evaluation-of-intermolecular-and-intramolecular-isotope-fractionations-in-fragmentation-1704.05607</loc><lastmod>2017-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-evaluation-of-intermolecular-and-intramolecular-isotope-fractionations-in-fragmentation-1704.05607"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-evaluation-of-intermolecular-and-intramolecular-isotope-fractionations-in-fragmentation-1704.05607"/></url>
<url><loc>https://scifaro.com/en/abs/multimodel-approach-to-the-optical-properties-of-molecular-dyes-in-solution-1704.05662</loc><lastmod>2017-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multimodel-approach-to-the-optical-properties-of-molecular-dyes-in-solution-1704.05662"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multimodel-approach-to-the-optical-properties-of-molecular-dyes-in-solution-1704.05662"/></url>
<url><loc>https://scifaro.com/en/abs/size-effect-in-the-ionization-energy-of-pah-clusters-1704.05683</loc><lastmod>2021-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-effect-in-the-ionization-energy-of-pah-clusters-1704.05683"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-effect-in-the-ionization-energy-of-pah-clusters-1704.05683"/></url>
<url><loc>https://scifaro.com/en/abs/how-good-is-the-generalized-langevin-equation-to-describe-the-dynamics-of-photo-induced-electron-transfer-in-fluid-solution-1704.06066</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-good-is-the-generalized-langevin-equation-to-describe-the-dynamics-of-photo-induced-electron-transfer-in-fluid-solution-1704.06066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-good-is-the-generalized-langevin-equation-to-describe-the-dynamics-of-photo-induced-electron-transfer-in-fluid-solution-1704.06066"/></url>
<url><loc>https://scifaro.com/en/abs/isomer-dependent-fragmentation-dynamics-of-inner-shell-photoionized-difluoroiodobenzene-1704.06296</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isomer-dependent-fragmentation-dynamics-of-inner-shell-photoionized-difluoroiodobenzene-1704.06296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isomer-dependent-fragmentation-dynamics-of-inner-shell-photoionized-difluoroiodobenzene-1704.06296"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-and-the-geometric-phase-in-ultracold-hydrogen-exchange-reactions-1704.06355</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-and-the-geometric-phase-in-ultracold-hydrogen-exchange-reactions-1704.06355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-and-the-geometric-phase-in-ultracold-hydrogen-exchange-reactions-1704.06355"/></url>
<url><loc>https://scifaro.com/en/abs/unified-representation-of-molecules-and-crystals-for-machine-learning-1704.06439</loc><lastmod>2022-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unified-representation-of-molecules-and-crystals-for-machine-learning-1704.06439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unified-representation-of-molecules-and-crystals-for-machine-learning-1704.06439"/></url>
<url><loc>https://scifaro.com/en/abs/polaron-dynamics-with-off-diagonal-coupling-beyond-the-ehrenfest-approximation-1704.06771</loc><lastmod>2017-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polaron-dynamics-with-off-diagonal-coupling-beyond-the-ehrenfest-approximation-1704.06771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polaron-dynamics-with-off-diagonal-coupling-beyond-the-ehrenfest-approximation-1704.06771"/></url>
<url><loc>https://scifaro.com/en/abs/transformation-of-a-metal-organic-framework-for-tuned-catalytic-activity-1704.06863</loc><lastmod>2017-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transformation-of-a-metal-organic-framework-for-tuned-catalytic-activity-1704.06863"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transformation-of-a-metal-organic-framework-for-tuned-catalytic-activity-1704.06863"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-corrections-for-the-ground-electronic-state-of-molecular-hydrogen-1704.07153</loc><lastmod>2017-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-corrections-for-the-ground-electronic-state-of-molecular-hydrogen-1704.07153"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-corrections-for-the-ground-electronic-state-of-molecular-hydrogen-1704.07153"/></url>
<url><loc>https://scifaro.com/en/abs/many-molecule-reaction-triggered-by-a-single-photon-in-polaritonic-chemistry-1704.07261</loc><lastmod>2017-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-molecule-reaction-triggered-by-a-single-photon-in-polaritonic-chemistry-1704.07261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-molecule-reaction-triggered-by-a-single-photon-in-polaritonic-chemistry-1704.07261"/></url>
<url><loc>https://scifaro.com/en/abs/interplay-of-fluorescence-and-phosphorescence-in-organic-biluminescent-emitters-1704.07294</loc><lastmod>2019-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interplay-of-fluorescence-and-phosphorescence-in-organic-biluminescent-emitters-1704.07294"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interplay-of-fluorescence-and-phosphorescence-in-organic-biluminescent-emitters-1704.07294"/></url>
<url><loc>https://scifaro.com/en/abs/a-hybrid-memory-kernel-approach-for-condensed-phase-non-adiabatic-dynamics-1704.07477</loc><lastmod>2017-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-hybrid-memory-kernel-approach-for-condensed-phase-non-adiabatic-dynamics-1704.07477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-hybrid-memory-kernel-approach-for-condensed-phase-non-adiabatic-dynamics-1704.07477"/></url>
<url><loc>https://scifaro.com/en/abs/probing-molecular-potentials-with-an-optical-centrifuge-1704.07504</loc><lastmod>2017-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-molecular-potentials-with-an-optical-centrifuge-1704.07504"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-molecular-potentials-with-an-optical-centrifuge-1704.07504"/></url>
<url><loc>https://scifaro.com/en/abs/toward-reliable-modeling-of-s-nitrosothiol-chemistry-structure-and-properties-of-methyl-thionitrite-ch-3-sno-an-s-nitrosocysteine-model-1704.08005</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-reliable-modeling-of-s-nitrosothiol-chemistry-structure-and-properties-of-methyl-thionitrite-ch-3-sno-an-s-nitrosocysteine-model-1704.08005"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-reliable-modeling-of-s-nitrosothiol-chemistry-structure-and-properties-of-methyl-thionitrite-ch-3-sno-an-s-nitrosocysteine-model-1704.08005"/></url>
<url><loc>https://scifaro.com/en/abs/three-and-four-electron-integrals-involving-gaussian-geminals-fundamental-integrals-upper-bounds-and-recurrence-relations-1704.08051</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/three-and-four-electron-integrals-involving-gaussian-geminals-fundamental-integrals-upper-bounds-and-recurrence-relations-1704.08051"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/three-and-four-electron-integrals-involving-gaussian-geminals-fundamental-integrals-upper-bounds-and-recurrence-relations-1704.08051"/></url>
<url><loc>https://scifaro.com/en/abs/dissipative-vibrational-model-for-chiral-recognition-in-olfaction-1704.08129</loc><lastmod>2017-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissipative-vibrational-model-for-chiral-recognition-in-olfaction-1704.08129"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissipative-vibrational-model-for-chiral-recognition-in-olfaction-1704.08129"/></url>
<url><loc>https://scifaro.com/en/abs/an-open-source-framework-for-n-electron-dynamics-ii-hybrid-density-functional-theory-configuration-interaction-methodology-1704.08137</loc><lastmod>2017-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-open-source-framework-for-n-electron-dynamics-ii-hybrid-density-functional-theory-configuration-interaction-methodology-1704.08137"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-open-source-framework-for-n-electron-dynamics-ii-hybrid-density-functional-theory-configuration-interaction-methodology-1704.08137"/></url>
<url><loc>https://scifaro.com/en/abs/capacitive-mechanism-of-oxygen-functional-groups-on-carbon-surface-in-supercapacitors-1704.08405</loc><lastmod>2018-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/capacitive-mechanism-of-oxygen-functional-groups-on-carbon-surface-in-supercapacitors-1704.08405"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/capacitive-mechanism-of-oxygen-functional-groups-on-carbon-surface-in-supercapacitors-1704.08405"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-simulation-of-caloric-properties-of-fluids-modelled-by-force-fields-with-intramolecular-contributions-application-to-heat-capacities-1704.08575</loc><lastmod>2019-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-simulation-of-caloric-properties-of-fluids-modelled-by-force-fields-with-intramolecular-contributions-application-to-heat-capacities-1704.08575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-simulation-of-caloric-properties-of-fluids-modelled-by-force-fields-with-intramolecular-contributions-application-to-heat-capacities-1704.08575"/></url>
<url><loc>https://scifaro.com/en/abs/improved-spatial-separation-of-neutral-molecules-1704.08912</loc><lastmod>2017-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-spatial-separation-of-neutral-molecules-1704.08912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-spatial-separation-of-neutral-molecules-1704.08912"/></url>
<url><loc>https://scifaro.com/en/abs/towards-a-formal-definition-of-static-and-dynamic-electronic-correlations-1705.00238</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-a-formal-definition-of-static-and-dynamic-electronic-correlations-1705.00238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-a-formal-definition-of-static-and-dynamic-electronic-correlations-1705.00238"/></url>
<url><loc>https://scifaro.com/en/abs/obtaining-time-dependent-multi-dimensional-dividing-surfaces-using-lagrangian-descriptors-1705.00248</loc><lastmod>2017-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/obtaining-time-dependent-multi-dimensional-dividing-surfaces-using-lagrangian-descriptors-1705.00248"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/obtaining-time-dependent-multi-dimensional-dividing-surfaces-using-lagrangian-descriptors-1705.00248"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-dynamics-between-wells-across-a-time-dependent-barrier-self-similarity-in-the-lagrangian-descriptor-and-reactive-basins-1705.00250</loc><lastmod>2017-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-dynamics-between-wells-across-a-time-dependent-barrier-self-similarity-in-the-lagrangian-descriptor-and-reactive-basins-1705.00250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-dynamics-between-wells-across-a-time-dependent-barrier-self-similarity-in-the-lagrangian-descriptor-and-reactive-basins-1705.00250"/></url>
<url><loc>https://scifaro.com/en/abs/efficiently-sampling-conformations-and-pathways-using-the-concurrent-adaptive-sampling-cas-algorithm-1705.00413</loc><lastmod>2017-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficiently-sampling-conformations-and-pathways-using-the-concurrent-adaptive-sampling-cas-algorithm-1705.00413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficiently-sampling-conformations-and-pathways-using-the-concurrent-adaptive-sampling-cas-algorithm-1705.00413"/></url>
<url><loc>https://scifaro.com/en/abs/geometrical-optimization-approach-to-isomerization-models-and-limitations-1705.00658</loc><lastmod>2018-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometrical-optimization-approach-to-isomerization-models-and-limitations-1705.00658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometrical-optimization-approach-to-isomerization-models-and-limitations-1705.00658"/></url>
<url><loc>https://scifaro.com/en/abs/infrared-spectroscopy-of-molecular-ions-in-selected-rotational-and-spin-orbit-states-1705.00832</loc><lastmod>2017-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infrared-spectroscopy-of-molecular-ions-in-selected-rotational-and-spin-orbit-states-1705.00832"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infrared-spectroscopy-of-molecular-ions-in-selected-rotational-and-spin-orbit-states-1705.00832"/></url>
<url><loc>https://scifaro.com/en/abs/precision-measurement-of-the-rotational-energy-level-structure-of-the-three-electron-molecule-he-2-1705.00869</loc><lastmod>2017-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/precision-measurement-of-the-rotational-energy-level-structure-of-the-three-electron-molecule-he-2-1705.00869"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/precision-measurement-of-the-rotational-energy-level-structure-of-the-three-electron-molecule-he-2-1705.00869"/></url>
<url><loc>https://scifaro.com/en/abs/new-method-to-study-ion-molecule-reactions-at-low-temperatures-and-application-to-the-h-2-h-2-rightarrow-h-3-h-reaction-1705.00871</loc><lastmod>2017-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-method-to-study-ion-molecule-reactions-at-low-temperatures-and-application-to-the-h-2-h-2-rightarrow-h-3-h-reaction-1705.00871"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-method-to-study-ion-molecule-reactions-at-low-temperatures-and-application-to-the-h-2-h-2-rightarrow-h-3-h-reaction-1705.00871"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-photoelectron-spectroscopic-investigation-of-the-h-2-o-cation-in-its-mathrm-tilde-a-electronic-state-1705.00974</loc><lastmod>2017-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-photoelectron-spectroscopic-investigation-of-the-h-2-o-cation-in-its-mathrm-tilde-a-electronic-state-1705.00974"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-photoelectron-spectroscopic-investigation-of-the-h-2-o-cation-in-its-mathrm-tilde-a-electronic-state-1705.00974"/></url>
<url><loc>https://scifaro.com/en/abs/can-entropy-be-defined-for-and-the-second-law-applied-to-the-entire-universe-1705.01100</loc><lastmod>2017-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-entropy-be-defined-for-and-the-second-law-applied-to-the-entire-universe-1705.01100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-entropy-be-defined-for-and-the-second-law-applied-to-the-entire-universe-1705.01100"/></url>
<url><loc>https://scifaro.com/en/abs/a-surface-hopping-method-for-semiclassical-calculations-of-cross-sections-for-radiative-association-with-electronic-transitions-1705.01173</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-surface-hopping-method-for-semiclassical-calculations-of-cross-sections-for-radiative-association-with-electronic-transitions-1705.01173"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-surface-hopping-method-for-semiclassical-calculations-of-cross-sections-for-radiative-association-with-electronic-transitions-1705.01173"/></url>
<url><loc>https://scifaro.com/en/abs/solvent-fluctuations-and-nuclear-quantum-effects-modulate-the-molecular-hyperpolarizability-of-water-1705.01649</loc><lastmod>2017-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvent-fluctuations-and-nuclear-quantum-effects-modulate-the-molecular-hyperpolarizability-of-water-1705.01649"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvent-fluctuations-and-nuclear-quantum-effects-modulate-the-molecular-hyperpolarizability-of-water-1705.01649"/></url>
<url><loc>https://scifaro.com/en/abs/intrinsic-charge-transport-in-stanene-roles-of-bucklings-and-electron-phonon-couplings-1705.01816</loc><lastmod>2018-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrinsic-charge-transport-in-stanene-roles-of-bucklings-and-electron-phonon-couplings-1705.01816"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrinsic-charge-transport-in-stanene-roles-of-bucklings-and-electron-phonon-couplings-1705.01816"/></url>
<url><loc>https://scifaro.com/en/abs/surprising-performance-for-vibrational-frequencies-of-the-distinguishable-clusters-with-singles-and-doubles-dcsd-and-mp2-5-approximations-1705.01889</loc><lastmod>2017-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surprising-performance-for-vibrational-frequencies-of-the-distinguishable-clusters-with-singles-and-doubles-dcsd-and-mp2-5-approximations-1705.01889"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surprising-performance-for-vibrational-frequencies-of-the-distinguishable-clusters-with-singles-and-doubles-dcsd-and-mp2-5-approximations-1705.01889"/></url>
<url><loc>https://scifaro.com/en/abs/mp2-f12-basis-set-convergence-for-the-s66-noncovalent-interactions-benchmark-transferability-of-the-complementary-auxiliary-basis-set-cabs-1705.01891</loc><lastmod>2017-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mp2-f12-basis-set-convergence-for-the-s66-noncovalent-interactions-benchmark-transferability-of-the-complementary-auxiliary-basis-set-cabs-1705.01891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mp2-f12-basis-set-convergence-for-the-s66-noncovalent-interactions-benchmark-transferability-of-the-complementary-auxiliary-basis-set-cabs-1705.01891"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-characterization-of-carbonyl-containing-carotenoids-a-comparison-between-single-and-multireference-descriptions-1705.01939</loc><lastmod>2017-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-characterization-of-carbonyl-containing-carotenoids-a-comparison-between-single-and-multireference-descriptions-1705.01939"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-characterization-of-carbonyl-containing-carotenoids-a-comparison-between-single-and-multireference-descriptions-1705.01939"/></url>
<url><loc>https://scifaro.com/en/abs/carbon-nanotubes-heavy-metal-detection-with-stripping-voltammetry-a-review-paper-1705.01940</loc><lastmod>2017-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/carbon-nanotubes-heavy-metal-detection-with-stripping-voltammetry-a-review-paper-1705.01940"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/carbon-nanotubes-heavy-metal-detection-with-stripping-voltammetry-a-review-paper-1705.01940"/></url>
<url><loc>https://scifaro.com/en/abs/exact-solution-of-long-range-electron-transfer-through-conjugated-molecular-bridge-1705.02222</loc><lastmod>2017-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-solution-of-long-range-electron-transfer-through-conjugated-molecular-bridge-1705.02222"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-solution-of-long-range-electron-transfer-through-conjugated-molecular-bridge-1705.02222"/></url>
<url><loc>https://scifaro.com/en/abs/a-unified-thermostat-scheme-for-efficient-configurational-sampling-for-classical-quantum-canonical-ensembles-via-molecular-dynamics-1705.02236</loc><lastmod>2017-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-unified-thermostat-scheme-for-efficient-configurational-sampling-for-classical-quantum-canonical-ensembles-via-molecular-dynamics-1705.02236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-unified-thermostat-scheme-for-efficient-configurational-sampling-for-classical-quantum-canonical-ensembles-via-molecular-dynamics-1705.02236"/></url>
<url><loc>https://scifaro.com/en/abs/remarkably-strong-chemisorption-of-nitric-oxide-on-insulating-oxide-films-promoted-by-hybrid-structure-1705.02590</loc><lastmod>2017-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/remarkably-strong-chemisorption-of-nitric-oxide-on-insulating-oxide-films-promoted-by-hybrid-structure-1705.02590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/remarkably-strong-chemisorption-of-nitric-oxide-on-insulating-oxide-films-promoted-by-hybrid-structure-1705.02590"/></url>
<url><loc>https://scifaro.com/en/abs/interactions-of-hydrogen-molecules-with-halogen-containing-diatomics-from-ab-initio-calculations-spherical-harmonics-representation-and-characterization-of-the-intermolecular-potentials-1705.02661</loc><lastmod>2017-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interactions-of-hydrogen-molecules-with-halogen-containing-diatomics-from-ab-initio-calculations-spherical-harmonics-representation-and-characterization-of-the-intermolecular-potentials-1705.02661"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interactions-of-hydrogen-molecules-with-halogen-containing-diatomics-from-ab-initio-calculations-spherical-harmonics-representation-and-characterization-of-the-intermolecular-potentials-1705.02661"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-pruning-of-the-multiconfiguration-time-dependent-hartree-method-dp-mctdh-an-efficient-approach-for-multidimensional-quantum-dynamics-1705.02769</loc><lastmod>2017-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-pruning-of-the-multiconfiguration-time-dependent-hartree-method-dp-mctdh-an-efficient-approach-for-multidimensional-quantum-dynamics-1705.02769"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-pruning-of-the-multiconfiguration-time-dependent-hartree-method-dp-mctdh-an-efficient-approach-for-multidimensional-quantum-dynamics-1705.02769"/></url>
<url><loc>https://scifaro.com/en/abs/simple-fully-non-local-density-functionals-for-the-electronic-repulsion-energy-1705.02793</loc><lastmod>2017-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-fully-non-local-density-functionals-for-the-electronic-repulsion-energy-1705.02793"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-fully-non-local-density-functionals-for-the-electronic-repulsion-energy-1705.02793"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-insights-into-the-decomposition-of-1-2-dioxetane-1705.02852</loc><lastmod>2017-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-insights-into-the-decomposition-of-1-2-dioxetane-1705.02852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-insights-into-the-decomposition-of-1-2-dioxetane-1705.02852"/></url>
<url><loc>https://scifaro.com/en/abs/empirical-model-of-the-gibbs-free-energy-for-saline-solutions-of-arbitrary-concentration-application-for-h2o-nacl-solutions-at-423-15k-573-15k-and-pressures-from-saturation-up-to-5kbar-1705.02901</loc><lastmod>2017-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/empirical-model-of-the-gibbs-free-energy-for-saline-solutions-of-arbitrary-concentration-application-for-h2o-nacl-solutions-at-423-15k-573-15k-and-pressures-from-saturation-up-to-5kbar-1705.02901"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/empirical-model-of-the-gibbs-free-energy-for-saline-solutions-of-arbitrary-concentration-application-for-h2o-nacl-solutions-at-423-15k-573-15k-and-pressures-from-saturation-up-to-5kbar-1705.02901"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-analysis-of-the-mixed-field-orientation-of-molecules-without-rotational-symmetry-1705.03225</loc><lastmod>2017-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-analysis-of-the-mixed-field-orientation-of-molecules-without-rotational-symmetry-1705.03225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-analysis-of-the-mixed-field-orientation-of-molecules-without-rotational-symmetry-1705.03225"/></url>
<url><loc>https://scifaro.com/en/abs/reply-to-comment-on-generalization-of-the-kohn-sham-system-that-can-represent-arbitrary-one-electron-density-matrices-1705.03348</loc><lastmod>2017-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reply-to-comment-on-generalization-of-the-kohn-sham-system-that-can-represent-arbitrary-one-electron-density-matrices-1705.03348"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reply-to-comment-on-generalization-of-the-kohn-sham-system-that-can-represent-arbitrary-one-electron-density-matrices-1705.03348"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-quantum-instanton-calculations-of-the-kinetic-isotope-effects-1705.03410</loc><lastmod>2017-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-quantum-instanton-calculations-of-the-kinetic-isotope-effects-1705.03410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-quantum-instanton-calculations-of-the-kinetic-isotope-effects-1705.03410"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-equilibrium-isotope-effect-calculations-i-stochastic-thermodynamic-integration-with-respect-to-mass-1705.03411</loc><lastmod>2017-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-equilibrium-isotope-effect-calculations-i-stochastic-thermodynamic-integration-with-respect-to-mass-1705.03411"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-equilibrium-isotope-effect-calculations-i-stochastic-thermodynamic-integration-with-respect-to-mass-1705.03411"/></url>
<url><loc>https://scifaro.com/en/abs/explicitly-correlated-helium-wave-function-and-hyperspherical-coordinates-1705.03417</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explicitly-correlated-helium-wave-function-and-hyperspherical-coordinates-1705.03417"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explicitly-correlated-helium-wave-function-and-hyperspherical-coordinates-1705.03417"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-radiative-decay-of-molecular-rotations-a-comparative-study-of-terahertz-oriented-versus-optically-aligned-molecular-ensembles-1705.03552</loc><lastmod>2017-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-radiative-decay-of-molecular-rotations-a-comparative-study-of-terahertz-oriented-versus-optically-aligned-molecular-ensembles-1705.03552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-radiative-decay-of-molecular-rotations-a-comparative-study-of-terahertz-oriented-versus-optically-aligned-molecular-ensembles-1705.03552"/></url>
<url><loc>https://scifaro.com/en/abs/nitrogen-doped-nanoporous-carbon-membranes-functionalized-with-co-cop-janus-type-nanocrystals-as-hydrogen-evolution-electrode-in-both-acid-and-alkaline-environment-1705.03756</loc><lastmod>2017-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nitrogen-doped-nanoporous-carbon-membranes-functionalized-with-co-cop-janus-type-nanocrystals-as-hydrogen-evolution-electrode-in-both-acid-and-alkaline-environment-1705.03756"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nitrogen-doped-nanoporous-carbon-membranes-functionalized-with-co-cop-janus-type-nanocrystals-as-hydrogen-evolution-electrode-in-both-acid-and-alkaline-environment-1705.03756"/></url>
<url><loc>https://scifaro.com/en/abs/adiponitrile-litfsi-solution-as-alkylcarbonate-free-electrolyte-for-lto-nmc-li-ion-batteries-1705.03845</loc><lastmod>2017-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adiponitrile-litfsi-solution-as-alkylcarbonate-free-electrolyte-for-lto-nmc-li-ion-batteries-1705.03845"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adiponitrile-litfsi-solution-as-alkylcarbonate-free-electrolyte-for-lto-nmc-li-ion-batteries-1705.03845"/></url>
<url><loc>https://scifaro.com/en/abs/erratum-to-the-article-charge-transfer-to-solvent-identified-using-dark-channel-fluorescence-yield-l-edge-spectroscopy-nature-chemistry-2-2010-853-1705.03941</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/erratum-to-the-article-charge-transfer-to-solvent-identified-using-dark-channel-fluorescence-yield-l-edge-spectroscopy-nature-chemistry-2-2010-853-1705.03941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/erratum-to-the-article-charge-transfer-to-solvent-identified-using-dark-channel-fluorescence-yield-l-edge-spectroscopy-nature-chemistry-2-2010-853-1705.03941"/></url>
<url><loc>https://scifaro.com/en/abs/monitoring-nonadiabatic-avoided-crossing-dynamics-in-molecules-by-ultrafast-x-ray-diffraction-1705.03978</loc><lastmod>2017-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monitoring-nonadiabatic-avoided-crossing-dynamics-in-molecules-by-ultrafast-x-ray-diffraction-1705.03978"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monitoring-nonadiabatic-avoided-crossing-dynamics-in-molecules-by-ultrafast-x-ray-diffraction-1705.03978"/></url>
<url><loc>https://scifaro.com/en/abs/predicted-novel-insulating-electride-compound-between-alkali-metals-lithium-and-sodium-under-high-pressure-1705.04213</loc><lastmod>2017-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicted-novel-insulating-electride-compound-between-alkali-metals-lithium-and-sodium-under-high-pressure-1705.04213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicted-novel-insulating-electride-compound-between-alkali-metals-lithium-and-sodium-under-high-pressure-1705.04213"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-expressions-for-hyper-rayleigh-scattering-from-isotropic-liquids-1705.04231</loc><lastmod>2017-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-expressions-for-hyper-rayleigh-scattering-from-isotropic-liquids-1705.04231"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-expressions-for-hyper-rayleigh-scattering-from-isotropic-liquids-1705.04231"/></url>
<url><loc>https://scifaro.com/en/abs/a-sobering-assessment-of-small-molecule-force-field-methods-for-low-energy-conformer-predictions-1705.04308</loc><lastmod>2017-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-sobering-assessment-of-small-molecule-force-field-methods-for-low-energy-conformer-predictions-1705.04308"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-sobering-assessment-of-small-molecule-force-field-methods-for-low-energy-conformer-predictions-1705.04308"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-variance-matching-with-limited-configuration-interaction-expansions-in-variational-monte-carlo-1705.04856</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-variance-matching-with-limited-configuration-interaction-expansions-in-variational-monte-carlo-1705.04856"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-variance-matching-with-limited-configuration-interaction-expansions-in-variational-monte-carlo-1705.04856"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-and-induction-effects-in-the-solubility-of-water-in-alkanes-1705.05352</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-and-induction-effects-in-the-solubility-of-water-in-alkanes-1705.05352"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-and-induction-effects-in-the-solubility-of-water-in-alkanes-1705.05352"/></url>
<url><loc>https://scifaro.com/en/abs/simulation-of-electrochemical-processes-during-oxygen-evolution-on-mathrm-pb-mno-2-composite-electrodes-1705.05411</loc><lastmod>2017-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulation-of-electrochemical-processes-during-oxygen-evolution-on-mathrm-pb-mno-2-composite-electrodes-1705.05411"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulation-of-electrochemical-processes-during-oxygen-evolution-on-mathrm-pb-mno-2-composite-electrodes-1705.05411"/></url>
<url><loc>https://scifaro.com/en/abs/environmental-high-resolution-electron-microscopy-and-applications-to-chemical-science-1705.05751</loc><lastmod>2017-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/environmental-high-resolution-electron-microscopy-and-applications-to-chemical-science-1705.05751"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/environmental-high-resolution-electron-microscopy-and-applications-to-chemical-science-1705.05751"/></url>
<url><loc>https://scifaro.com/en/abs/advances-in-atomic-resolution-in-situ-environmental-transmission-electron-microscopy-and-1-angstrom-aberration-corrected-in-situ-electron-microscopy-1705.05754</loc><lastmod>2017-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/advances-in-atomic-resolution-in-situ-environmental-transmission-electron-microscopy-and-1-angstrom-aberration-corrected-in-situ-electron-microscopy-1705.05754"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/advances-in-atomic-resolution-in-situ-environmental-transmission-electron-microscopy-and-1-angstrom-aberration-corrected-in-situ-electron-microscopy-1705.05754"/></url>
<url><loc>https://scifaro.com/en/abs/the-structural-fate-of-individual-multicomponent-metal-oxide-nanoparticles-in-polymer-nanoreactors-1705.05760</loc><lastmod>2017-06-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-structural-fate-of-individual-multicomponent-metal-oxide-nanoparticles-in-polymer-nanoreactors-1705.05760"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-structural-fate-of-individual-multicomponent-metal-oxide-nanoparticles-in-polymer-nanoreactors-1705.05760"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-structural-origin-of-the-catalytic-properties-of-inherently-strained-ultrasmall-decahedral-gold-nanoparticles-1705.05763</loc><lastmod>2017-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-structural-origin-of-the-catalytic-properties-of-inherently-strained-ultrasmall-decahedral-gold-nanoparticles-1705.05763"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-structural-origin-of-the-catalytic-properties-of-inherently-strained-ultrasmall-decahedral-gold-nanoparticles-1705.05763"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-the-non-markovianity-for-electron-transfer-reactions-in-an-oligothiophene-fullerene-heterojunction-1705.05898</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-the-non-markovianity-for-electron-transfer-reactions-in-an-oligothiophene-fullerene-heterojunction-1705.05898"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-the-non-markovianity-for-electron-transfer-reactions-in-an-oligothiophene-fullerene-heterojunction-1705.05898"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-molecular-dynamics-for-the-simulation-of-infrared-spectra-1705.05907</loc><lastmod>2021-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-molecular-dynamics-for-the-simulation-of-infrared-spectra-1705.05907"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-molecular-dynamics-for-the-simulation-of-infrared-spectra-1705.05907"/></url>
<url><loc>https://scifaro.com/en/abs/visualizing-the-cu-and-cu2o-interface-transition-in-nanoparticles-with-environmental-scanning-transmission-electron-microscopy-1705.06065</loc><lastmod>2017-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visualizing-the-cu-and-cu2o-interface-transition-in-nanoparticles-with-environmental-scanning-transmission-electron-microscopy-1705.06065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visualizing-the-cu-and-cu2o-interface-transition-in-nanoparticles-with-environmental-scanning-transmission-electron-microscopy-1705.06065"/></url>
<url><loc>https://scifaro.com/en/abs/visualizing-reacting-single-atoms-in-chemical-reactions-advancing-the-frontiers-of-materials-research-1705.06220</loc><lastmod>2017-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visualizing-reacting-single-atoms-in-chemical-reactions-advancing-the-frontiers-of-materials-research-1705.06220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visualizing-reacting-single-atoms-in-chemical-reactions-advancing-the-frontiers-of-materials-research-1705.06220"/></url>
<url><loc>https://scifaro.com/en/abs/measurements-of-trap-dynamics-of-cold-oh-molecules-using-resonance-enhanced-multiphoton-ionization-1705.06263</loc><lastmod>2017-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurements-of-trap-dynamics-of-cold-oh-molecules-using-resonance-enhanced-multiphoton-ionization-1705.06263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurements-of-trap-dynamics-of-cold-oh-molecules-using-resonance-enhanced-multiphoton-ionization-1705.06263"/></url>
<url><loc>https://scifaro.com/en/abs/coherence-in-molecular-photoionization-1705.06276</loc><lastmod>2017-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherence-in-molecular-photoionization-1705.06276"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherence-in-molecular-photoionization-1705.06276"/></url>
<url><loc>https://scifaro.com/en/abs/validating-and-implementing-modified-filinov-phase-filtration-in-semiclassical-dynamics-1705.06617</loc><lastmod>2017-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/validating-and-implementing-modified-filinov-phase-filtration-in-semiclassical-dynamics-1705.06617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/validating-and-implementing-modified-filinov-phase-filtration-in-semiclassical-dynamics-1705.06617"/></url>
<url><loc>https://scifaro.com/en/abs/visualisation-of-single-atom-dynamics-and-their-role-in-nanocatalysts-under-controlled-reaction-environments-1705.06737</loc><lastmod>2017-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visualisation-of-single-atom-dynamics-and-their-role-in-nanocatalysts-under-controlled-reaction-environments-1705.06737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visualisation-of-single-atom-dynamics-and-their-role-in-nanocatalysts-under-controlled-reaction-environments-1705.06737"/></url>
<url><loc>https://scifaro.com/en/abs/unfolding-hidden-barriers-by-active-enhanced-sampling-1705.07414</loc><lastmod>2018-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unfolding-hidden-barriers-by-active-enhanced-sampling-1705.07414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unfolding-hidden-barriers-by-active-enhanced-sampling-1705.07414"/></url>
<url><loc>https://scifaro.com/en/abs/including-surface-ligand-effects-in-continuum-elastic-models-of-nanocrystal-vibrations-1705.07468</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/including-surface-ligand-effects-in-continuum-elastic-models-of-nanocrystal-vibrations-1705.07468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/including-surface-ligand-effects-in-continuum-elastic-models-of-nanocrystal-vibrations-1705.07468"/></url>
<url><loc>https://scifaro.com/en/abs/continuous-vibronic-symmetries-in-jahn-teller-models-1705.08104</loc><lastmod>2018-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuous-vibronic-symmetries-in-jahn-teller-models-1705.08104"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuous-vibronic-symmetries-in-jahn-teller-models-1705.08104"/></url>
<url><loc>https://scifaro.com/en/abs/wavefunctions-for-large-electronic-systems-1705.08144</loc><lastmod>2017-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wavefunctions-for-large-electronic-systems-1705.08144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wavefunctions-for-large-electronic-systems-1705.08144"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-data-over-quantum-mechanics-simulations-for-inferring-the-repulsive-exponent-of-the-lennard-jones-potential-in-molecular-dynamics-1705.08533</loc><lastmod>2017-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-data-over-quantum-mechanics-simulations-for-inferring-the-repulsive-exponent-of-the-lennard-jones-potential-in-molecular-dynamics-1705.08533"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-data-over-quantum-mechanics-simulations-for-inferring-the-repulsive-exponent-of-the-lennard-jones-potential-in-molecular-dynamics-1705.08533"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-electric-field-interactions-with-polar-molecules-using-spectroscopic-databases-1705.08535</loc><lastmod>2017-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-electric-field-interactions-with-polar-molecules-using-spectroscopic-databases-1705.08535"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-electric-field-interactions-with-polar-molecules-using-spectroscopic-databases-1705.08535"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-coil-k-space-interpolation-enhances-resolution-in-single-shot-spatiotemporal-mri-1705.09148</loc><lastmod>2017-05-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-coil-k-space-interpolation-enhances-resolution-in-single-shot-spatiotemporal-mri-1705.09148"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-coil-k-space-interpolation-enhances-resolution-in-single-shot-spatiotemporal-mri-1705.09148"/></url>
<url><loc>https://scifaro.com/en/abs/fingerprints-of-angulon-instabilities-in-the-spectra-of-matrix-isolated-molecules-1705.09220</loc><lastmod>2017-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fingerprints-of-angulon-instabilities-in-the-spectra-of-matrix-isolated-molecules-1705.09220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fingerprints-of-angulon-instabilities-in-the-spectra-of-matrix-isolated-molecules-1705.09220"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-linear-response-variational-monte-carlo-1705.09813</loc><lastmod>2018-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-linear-response-variational-monte-carlo-1705.09813"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-linear-response-variational-monte-carlo-1705.09813"/></url>
<url><loc>https://scifaro.com/en/abs/direct-mapping-hidden-excited-state-interaction-patterns-from-ab-initio-dynamics-and-its-implications-on-force-field-development-1705.09919</loc><lastmod>2017-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-mapping-hidden-excited-state-interaction-patterns-from-ab-initio-dynamics-and-its-implications-on-force-field-development-1705.09919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-mapping-hidden-excited-state-interaction-patterns-from-ab-initio-dynamics-and-its-implications-on-force-field-development-1705.09919"/></url>
<url><loc>https://scifaro.com/en/abs/mechanisms-of-localization-in-isotope-substituted-dynamical-jahn-teller-systems-1705.09959</loc><lastmod>2017-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanisms-of-localization-in-isotope-substituted-dynamical-jahn-teller-systems-1705.09959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanisms-of-localization-in-isotope-substituted-dynamical-jahn-teller-systems-1705.09959"/></url>
<url><loc>https://scifaro.com/en/abs/multiscale-simulation-on-shearing-transitions-of-thin-film-lubrication-with-multi-layer-molecules-1705.10008</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-simulation-on-shearing-transitions-of-thin-film-lubrication-with-multi-layer-molecules-1705.10008"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-simulation-on-shearing-transitions-of-thin-film-lubrication-with-multi-layer-molecules-1705.10008"/></url>
<url><loc>https://scifaro.com/en/abs/peculiarities-of-the-sers-spectra-of-4-4-bipyridine-molecule-in-a-single-molecule-detection-regime-1705.10096</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/peculiarities-of-the-sers-spectra-of-4-4-bipyridine-molecule-in-a-single-molecule-detection-regime-1705.10096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/peculiarities-of-the-sers-spectra-of-4-4-bipyridine-molecule-in-a-single-molecule-detection-regime-1705.10096"/></url>
<url><loc>https://scifaro.com/en/abs/insight-into-co2-dissociation-in-plasmas-from-numerical-solution-of-a-vibrational-diffusion-equation-1705.10144</loc><lastmod>2017-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/insight-into-co2-dissociation-in-plasmas-from-numerical-solution-of-a-vibrational-diffusion-equation-1705.10144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/insight-into-co2-dissociation-in-plasmas-from-numerical-solution-of-a-vibrational-diffusion-equation-1705.10144"/></url>
<url><loc>https://scifaro.com/en/abs/inelastic-low-energy-collisions-of-electrons-with-heh-rovibrational-excitation-and-dissociative-recombination-1705.10153</loc><lastmod>2017-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inelastic-low-energy-collisions-of-electrons-with-heh-rovibrational-excitation-and-dissociative-recombination-1705.10153"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inelastic-low-energy-collisions-of-electrons-with-heh-rovibrational-excitation-and-dissociative-recombination-1705.10153"/></url>
<url><loc>https://scifaro.com/en/abs/can-ultrastrong-coupling-change-ground-state-chemical-reactions-1705.10655</loc><lastmod>2018-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-ultrastrong-coupling-change-ground-state-chemical-reactions-1705.10655"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-ultrastrong-coupling-change-ground-state-chemical-reactions-1705.10655"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-fly-caspt2-surface-hopping-dynamics-1706.00156</loc><lastmod>2017-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-fly-caspt2-surface-hopping-dynamics-1706.00156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-fly-caspt2-surface-hopping-dynamics-1706.00156"/></url>
<url><loc>https://scifaro.com/en/abs/peculiarities-of-the-sers-spectra-of-the-hydroquinone-molecule-adsorbed-on-titanium-dioxid-1706.00171</loc><lastmod>2017-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/peculiarities-of-the-sers-spectra-of-the-hydroquinone-molecule-adsorbed-on-titanium-dioxid-1706.00171"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/peculiarities-of-the-sers-spectra-of-the-hydroquinone-molecule-adsorbed-on-titanium-dioxid-1706.00171"/></url>
<url><loc>https://scifaro.com/en/abs/hydrophobic-ice-confined-between-graphene-and-mos2-1706.00675</loc><lastmod>2017-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrophobic-ice-confined-between-graphene-and-mos2-1706.00675"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrophobic-ice-confined-between-graphene-and-mos2-1706.00675"/></url>
<url><loc>https://scifaro.com/en/abs/collisional-excitation-of-nh3-by-atomic-and-molecular-hydrogen-1706.00732</loc><lastmod>2018-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collisional-excitation-of-nh3-by-atomic-and-molecular-hydrogen-1706.00732"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collisional-excitation-of-nh3-by-atomic-and-molecular-hydrogen-1706.00732"/></url>
<url><loc>https://scifaro.com/en/abs/morphology-of-passivating-organic-ligands-around-a-nanocrystal-1706.00844</loc><lastmod>2017-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/morphology-of-passivating-organic-ligands-around-a-nanocrystal-1706.00844"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/morphology-of-passivating-organic-ligands-around-a-nanocrystal-1706.00844"/></url>
<url><loc>https://scifaro.com/en/abs/autoignition-of-n-butanol-at-elevated-pressure-and-low-to-intermediate-temperature-1706.00867</loc><lastmod>2017-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autoignition-of-n-butanol-at-elevated-pressure-and-low-to-intermediate-temperature-1706.00867"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autoignition-of-n-butanol-at-elevated-pressure-and-low-to-intermediate-temperature-1706.00867"/></url>
<url><loc>https://scifaro.com/en/abs/the-spherical-harmonics-representation-for-the-interaction-between-diatomic-molecules-the-general-case-and-applications-to-co-co-and-co-hf-1706.01049</loc><lastmod>2017-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-spherical-harmonics-representation-for-the-interaction-between-diatomic-molecules-the-general-case-and-applications-to-co-co-and-co-hf-1706.01049"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-spherical-harmonics-representation-for-the-interaction-between-diatomic-molecules-the-general-case-and-applications-to-co-co-and-co-hf-1706.01049"/></url>
<url><loc>https://scifaro.com/en/abs/autoignition-of-methyl-valerate-at-low-to-intermediate-temperatures-and-elevated-pressures-in-a-rapid-compression-machine-1706.01483</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autoignition-of-methyl-valerate-at-low-to-intermediate-temperatures-and-elevated-pressures-in-a-rapid-compression-machine-1706.01483"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autoignition-of-methyl-valerate-at-low-to-intermediate-temperatures-and-elevated-pressures-in-a-rapid-compression-machine-1706.01483"/></url>
<url><loc>https://scifaro.com/en/abs/high-pressure-autoignition-of-binary-blends-of-methanol-and-dimethyl-ether-1706.01485</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-pressure-autoignition-of-binary-blends-of-methanol-and-dimethyl-ether-1706.01485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-pressure-autoignition-of-binary-blends-of-methanol-and-dimethyl-ether-1706.01485"/></url>
<url><loc>https://scifaro.com/en/abs/spin-projected-generalized-hartree-fock-as-a-polynomial-of-particle-hole-excitations-1706.01548</loc><lastmod>2017-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-projected-generalized-hartree-fock-as-a-polynomial-of-particle-hole-excitations-1706.01548"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-projected-generalized-hartree-fock-as-a-polynomial-of-particle-hole-excitations-1706.01548"/></url>
<url><loc>https://scifaro.com/en/abs/an-autoignition-study-of-iso-butanol-experiments-and-modeling-1706.01827</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-autoignition-study-of-iso-butanol-experiments-and-modeling-1706.01827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-autoignition-study-of-iso-butanol-experiments-and-modeling-1706.01827"/></url>
<url><loc>https://scifaro.com/en/abs/experiments-and-modeling-of-the-autoignition-of-methyl-cyclohexane-at-high-pressure-1706.01828</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experiments-and-modeling-of-the-autoignition-of-methyl-cyclohexane-at-high-pressure-1706.01828"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experiments-and-modeling-of-the-autoignition-of-methyl-cyclohexane-at-high-pressure-1706.01828"/></url>
<url><loc>https://scifaro.com/en/abs/a-rapid-compression-study-of-the-butanol-isomers-at-elevated-pressure-1706.01832</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-rapid-compression-study-of-the-butanol-isomers-at-elevated-pressure-1706.01832"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-rapid-compression-study-of-the-butanol-isomers-at-elevated-pressure-1706.01832"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-a-practical-multicomponent-density-functional-for-electron-proton-correlation-to-produce-accurate-proton-densities-1706.01836</loc><lastmod>2017-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-a-practical-multicomponent-density-functional-for-electron-proton-correlation-to-produce-accurate-proton-densities-1706.01836"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-a-practical-multicomponent-density-functional-for-electron-proton-correlation-to-produce-accurate-proton-densities-1706.01836"/></url>
<url><loc>https://scifaro.com/en/abs/autoignition-of-butanol-isomers-at-low-to-intermediate-temperature-and-elevated-pressure-1706.01837</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autoignition-of-butanol-isomers-at-low-to-intermediate-temperature-and-elevated-pressure-1706.01837"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autoignition-of-butanol-isomers-at-low-to-intermediate-temperature-and-elevated-pressure-1706.01837"/></url>
<url><loc>https://scifaro.com/en/abs/comparative-investigation-of-the-high-pressure-autoignition-of-the-butanol-isomers-1706.01842</loc><lastmod>2017-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparative-investigation-of-the-high-pressure-autoignition-of-the-butanol-isomers-1706.01842"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparative-investigation-of-the-high-pressure-autoignition-of-the-butanol-isomers-1706.01842"/></url>
<url><loc>https://scifaro.com/en/abs/charge-compensation-at-the-interface-between-the-polar-nacl-111-surface-and-a-nacl-aqueous-solution-1706.01947</loc><lastmod>2024-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-compensation-at-the-interface-between-the-polar-nacl-111-surface-and-a-nacl-aqueous-solution-1706.01947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-compensation-at-the-interface-between-the-polar-nacl-111-surface-and-a-nacl-aqueous-solution-1706.01947"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-energy-density-functionals-by-axiomatic-approach-1706.01957</loc><lastmod>2017-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-energy-density-functionals-by-axiomatic-approach-1706.01957"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-energy-density-functionals-by-axiomatic-approach-1706.01957"/></url>
<url><loc>https://scifaro.com/en/abs/multiscale-multiexciton-cyclic-dynamics-in-light-harvesting-complex-1706.01958</loc><lastmod>2017-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-multiexciton-cyclic-dynamics-in-light-harvesting-complex-1706.01958"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-multiexciton-cyclic-dynamics-in-light-harvesting-complex-1706.01958"/></url>
<url><loc>https://scifaro.com/en/abs/uconnrcmpy-python-based-data-analysis-for-rapid-compression-machines-1706.01984</loc><lastmod>2017-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uconnrcmpy-python-based-data-analysis-for-rapid-compression-machines-1706.01984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uconnrcmpy-python-based-data-analysis-for-rapid-compression-machines-1706.01984"/></url>
<url><loc>https://scifaro.com/en/abs/chemked-a-human-and-machine-readable-data-standard-for-chemical-kinetics-experiments-1706.01987</loc><lastmod>2018-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemked-a-human-and-machine-readable-data-standard-for-chemical-kinetics-experiments-1706.01987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemked-a-human-and-machine-readable-data-standard-for-chemical-kinetics-experiments-1706.01987"/></url>
<url><loc>https://scifaro.com/en/abs/general-pulsed-field-gradient-signal-attenuation-expression-based-on-a-fractional-integral-modified-bloch-equation-1706.02026</loc><lastmod>2018-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-pulsed-field-gradient-signal-attenuation-expression-based-on-a-fractional-integral-modified-bloch-equation-1706.02026"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-pulsed-field-gradient-signal-attenuation-expression-based-on-a-fractional-integral-modified-bloch-equation-1706.02026"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-chemistry-for-butanol-isomers-at-engine-relevant-conditions-1706.02043</loc><lastmod>2017-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-chemistry-for-butanol-isomers-at-engine-relevant-conditions-1706.02043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-chemistry-for-butanol-isomers-at-engine-relevant-conditions-1706.02043"/></url>
<url><loc>https://scifaro.com/en/abs/block-copolymer-derived-multifunctional-gyroidal-monoliths-for-3-d-electrical-energy-storage-applications-1706.02134</loc><lastmod>2017-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/block-copolymer-derived-multifunctional-gyroidal-monoliths-for-3-d-electrical-energy-storage-applications-1706.02134"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/block-copolymer-derived-multifunctional-gyroidal-monoliths-for-3-d-electrical-energy-storage-applications-1706.02134"/></url>
<url><loc>https://scifaro.com/en/abs/revisiting-the-foundations-of-the-quantum-theory-of-atoms-in-molecules-some-open-problems-1706.02288</loc><lastmod>2018-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revisiting-the-foundations-of-the-quantum-theory-of-atoms-in-molecules-some-open-problems-1706.02288"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revisiting-the-foundations-of-the-quantum-theory-of-atoms-in-molecules-some-open-problems-1706.02288"/></url>
<url><loc>https://scifaro.com/en/abs/current-voltage-characteristics-of-borophene-and-borophane-sheets-1706.02511</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/current-voltage-characteristics-of-borophene-and-borophane-sheets-1706.02511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/current-voltage-characteristics-of-borophene-and-borophane-sheets-1706.02511"/></url>
<url><loc>https://scifaro.com/en/abs/dy-3-doped-yttrium-complex-molecular-crystals-for-two-color-thermometry-in-heterogeneous-materials-1706.02658</loc><lastmod>2017-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dy-3-doped-yttrium-complex-molecular-crystals-for-two-color-thermometry-in-heterogeneous-materials-1706.02658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dy-3-doped-yttrium-complex-molecular-crystals-for-two-color-thermometry-in-heterogeneous-materials-1706.02658"/></url>
<url><loc>https://scifaro.com/en/abs/two-color-thermosensors-based-on-y-1-x-dy-x-acetylacetonate-3-1-10-phenanthroline-molecular-crystals-1706.02659</loc><lastmod>2017-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-color-thermosensors-based-on-y-1-x-dy-x-acetylacetonate-3-1-10-phenanthroline-molecular-crystals-1706.02659"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-color-thermosensors-based-on-y-1-x-dy-x-acetylacetonate-3-1-10-phenanthroline-molecular-crystals-1706.02659"/></url>
<url><loc>https://scifaro.com/en/abs/extending-the-topological-analysis-and-seeking-the-real-space-subsystems-in-non-coulombic-systems-with-homogeneous-potential-energy-functions-1706.02767</loc><lastmod>2018-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extending-the-topological-analysis-and-seeking-the-real-space-subsystems-in-non-coulombic-systems-with-homogeneous-potential-energy-functions-1706.02767"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extending-the-topological-analysis-and-seeking-the-real-space-subsystems-in-non-coulombic-systems-with-homogeneous-potential-energy-functions-1706.02767"/></url>
<url><loc>https://scifaro.com/en/abs/comparative-autoignition-trends-in-the-butanol-isomers-at-elevated-pressure-1706.02965</loc><lastmod>2017-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparative-autoignition-trends-in-the-butanol-isomers-at-elevated-pressure-1706.02965"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparative-autoignition-trends-in-the-butanol-isomers-at-elevated-pressure-1706.02965"/></url>
<url><loc>https://scifaro.com/en/abs/experiments-and-modeling-of-the-autoignition-of-methylcyclohexane-at-high-pressure-1706.02996</loc><lastmod>2017-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experiments-and-modeling-of-the-autoignition-of-methylcyclohexane-at-high-pressure-1706.02996"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experiments-and-modeling-of-the-autoignition-of-methylcyclohexane-at-high-pressure-1706.02996"/></url>
<url><loc>https://scifaro.com/en/abs/autoigniton-of-n-butanol-at-low-to-intermediate-temperature-and-elevated-pressure-1706.03009</loc><lastmod>2017-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autoigniton-of-n-butanol-at-low-to-intermediate-temperature-and-elevated-pressure-1706.03009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autoigniton-of-n-butanol-at-low-to-intermediate-temperature-and-elevated-pressure-1706.03009"/></url>
<url><loc>https://scifaro.com/en/abs/thiol-ene-photo-click-collagen-peg-hydrogels-impact-of-water-soluble-photoinitiators-on-cell-viability-gelation-kinetics-and-rheological-properties-1706.03043</loc><lastmod>2017-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thiol-ene-photo-click-collagen-peg-hydrogels-impact-of-water-soluble-photoinitiators-on-cell-viability-gelation-kinetics-and-rheological-properties-1706.03043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thiol-ene-photo-click-collagen-peg-hydrogels-impact-of-water-soluble-photoinitiators-on-cell-viability-gelation-kinetics-and-rheological-properties-1706.03043"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-telopeptides-on-the-structural-and-physical-properties-of-polymeric-and-monomeric-acid-soluble-type-i-collagen-1706.03080</loc><lastmod>2017-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-telopeptides-on-the-structural-and-physical-properties-of-polymeric-and-monomeric-acid-soluble-type-i-collagen-1706.03080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-telopeptides-on-the-structural-and-physical-properties-of-polymeric-and-monomeric-acid-soluble-type-i-collagen-1706.03080"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-quantum-cascade-laser-spectroscopy-of-the-simplest-criegee-intermediate-ch-2-oo-between-1273-cm-1-and-1290-cm-1-1706.03488</loc><lastmod>2017-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-quantum-cascade-laser-spectroscopy-of-the-simplest-criegee-intermediate-ch-2-oo-between-1273-cm-1-and-1290-cm-1-1706.03488"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-quantum-cascade-laser-spectroscopy-of-the-simplest-criegee-intermediate-ch-2-oo-between-1273-cm-1-and-1290-cm-1-1706.03488"/></url>
<url><loc>https://scifaro.com/en/abs/prevalent-intrinsic-emission-from-nonaromatic-amino-acids-and-poly-amino-acids-1706.03565</loc><lastmod>2017-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prevalent-intrinsic-emission-from-nonaromatic-amino-acids-and-poly-amino-acids-1706.03565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prevalent-intrinsic-emission-from-nonaromatic-amino-acids-and-poly-amino-acids-1706.03565"/></url>
<url><loc>https://scifaro.com/en/abs/uncovering-the-role-of-flow-rate-in-redox-active-polymer-flow-batteries-simulation-of-reaction-distributions-with-simultaneous-mixing-in-tanks-1706.03800</loc><lastmod>2017-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncovering-the-role-of-flow-rate-in-redox-active-polymer-flow-batteries-simulation-of-reaction-distributions-with-simultaneous-mixing-in-tanks-1706.03800"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncovering-the-role-of-flow-rate-in-redox-active-polymer-flow-batteries-simulation-of-reaction-distributions-with-simultaneous-mixing-in-tanks-1706.03800"/></url>
<url><loc>https://scifaro.com/en/abs/characterizing-and-optimizing-a-laser-desorption-molecular-beam-source-1706.04083</loc><lastmod>2017-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterizing-and-optimizing-a-laser-desorption-molecular-beam-source-1706.04083"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterizing-and-optimizing-a-laser-desorption-molecular-beam-source-1706.04083"/></url>
<url><loc>https://scifaro.com/en/abs/diffuse-interstellar-bands-a-comprehensive-laboratory-study-1706.04273</loc><lastmod>2017-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffuse-interstellar-bands-a-comprehensive-laboratory-study-1706.04273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffuse-interstellar-bands-a-comprehensive-laboratory-study-1706.04273"/></url>
<url><loc>https://scifaro.com/en/abs/are-chlorine-isotopologues-of-polychlorinated-organic-compounds-exactly-binomially-distributed-a-theoretical-study-and-implications-to-experiments-1706.04480</loc><lastmod>2017-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/are-chlorine-isotopologues-of-polychlorinated-organic-compounds-exactly-binomially-distributed-a-theoretical-study-and-implications-to-experiments-1706.04480"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/are-chlorine-isotopologues-of-polychlorinated-organic-compounds-exactly-binomially-distributed-a-theoretical-study-and-implications-to-experiments-1706.04480"/></url>
<url><loc>https://scifaro.com/en/abs/smeared-coulomb-potential-orbitals-for-the-electron-nucleus-mean-field-configuration-interaction-method-1706.04481</loc><lastmod>2018-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/smeared-coulomb-potential-orbitals-for-the-electron-nucleus-mean-field-configuration-interaction-method-1706.04481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/smeared-coulomb-potential-orbitals-for-the-electron-nucleus-mean-field-configuration-interaction-method-1706.04481"/></url>
<url><loc>https://scifaro.com/en/abs/nudged-elastic-band-calculations-accelerated-with-gaussian-process-regression-1706.04606</loc><lastmod>2017-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nudged-elastic-band-calculations-accelerated-with-gaussian-process-regression-1706.04606"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nudged-elastic-band-calculations-accelerated-with-gaussian-process-regression-1706.04606"/></url>
<url><loc>https://scifaro.com/en/abs/direct-measurements-of-doco-isomers-in-the-kinetics-of-od-co-1706.04689</loc><lastmod>2018-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-measurements-of-doco-isomers-in-the-kinetics-of-od-co-1706.04689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-measurements-of-doco-isomers-in-the-kinetics-of-od-co-1706.04689"/></url>
<url><loc>https://scifaro.com/en/abs/interpretation-of-x-ray-absorption-spectroscopy-in-the-presence-of-surface-hybridization-1706.05240</loc><lastmod>2017-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpretation-of-x-ray-absorption-spectroscopy-in-the-presence-of-surface-hybridization-1706.05240"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpretation-of-x-ray-absorption-spectroscopy-in-the-presence-of-surface-hybridization-1706.05240"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-screening-of-a-sulfur-desorbed-mos-2-photocatalyst-for-nitrogen-fixation-1706.05270</loc><lastmod>2017-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-screening-of-a-sulfur-desorbed-mos-2-photocatalyst-for-nitrogen-fixation-1706.05270"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-screening-of-a-sulfur-desorbed-mos-2-photocatalyst-for-nitrogen-fixation-1706.05270"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-electronic-structure-theory-via-hierarchical-scale-adaptive-coupled-cluster-formalism-i-theory-and-computational-complexity-analysis-1706.05396</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-electronic-structure-theory-via-hierarchical-scale-adaptive-coupled-cluster-formalism-i-theory-and-computational-complexity-analysis-1706.05396"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-electronic-structure-theory-via-hierarchical-scale-adaptive-coupled-cluster-formalism-i-theory-and-computational-complexity-analysis-1706.05396"/></url>
<url><loc>https://scifaro.com/en/abs/recent-advances-in-accelerated-discovery-through-machine-learning-and-statistical-inference-1706.05405</loc><lastmod>2017-06-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recent-advances-in-accelerated-discovery-through-machine-learning-and-statistical-inference-1706.05405"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recent-advances-in-accelerated-discovery-through-machine-learning-and-statistical-inference-1706.05405"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-model-of-the-chemistry-of-ionizing-radiation-in-solids-ciris-1706.05430</loc><lastmod>2017-06-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-model-of-the-chemistry-of-ionizing-radiation-in-solids-ciris-1706.05430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-model-of-the-chemistry-of-ionizing-radiation-in-solids-ciris-1706.05430"/></url>
<url><loc>https://scifaro.com/en/abs/nitrate-removal-from-water-using-electrostatic-regeneration-of-functionalized-adsorbent-1706.05482</loc><lastmod>2017-06-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nitrate-removal-from-water-using-electrostatic-regeneration-of-functionalized-adsorbent-1706.05482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nitrate-removal-from-water-using-electrostatic-regeneration-of-functionalized-adsorbent-1706.05482"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-weak-interactions-in-characterizing-peptide-folding-preferences-using-a-qtaim-interpretation-of-the-ramachandran-plot-phi-psi-1706.05658</loc><lastmod>2018-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-weak-interactions-in-characterizing-peptide-folding-preferences-using-a-qtaim-interpretation-of-the-ramachandran-plot-phi-psi-1706.05658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-weak-interactions-in-characterizing-peptide-folding-preferences-using-a-qtaim-interpretation-of-the-ramachandran-plot-phi-psi-1706.05658"/></url>
<url><loc>https://scifaro.com/en/abs/pair-potential-with-submillikelvin-uncertainties-and-nonadiabatic-treatment-of-the-halo-state-of-helium-dimer-1706.05687</loc><lastmod>2017-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pair-potential-with-submillikelvin-uncertainties-and-nonadiabatic-treatment-of-the-halo-state-of-helium-dimer-1706.05687"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pair-potential-with-submillikelvin-uncertainties-and-nonadiabatic-treatment-of-the-halo-state-of-helium-dimer-1706.05687"/></url>
<url><loc>https://scifaro.com/en/abs/general-pfg-signal-attenuation-expressions-for-anisotropic-anomalous-diffusion-by-modified-bloch-equations-1706.06552</loc><lastmod>2018-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-pfg-signal-attenuation-expressions-for-anisotropic-anomalous-diffusion-by-modified-bloch-equations-1706.06552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-pfg-signal-attenuation-expressions-for-anisotropic-anomalous-diffusion-by-modified-bloch-equations-1706.06552"/></url>
<url><loc>https://scifaro.com/en/abs/projected-coupled-cluster-theory-1706.06650</loc><lastmod>2020-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/projected-coupled-cluster-theory-1706.06650"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/projected-coupled-cluster-theory-1706.06650"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-dynamics-of-photoinduced-charge-separation-1706.06656</loc><lastmod>2017-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-dynamics-of-photoinduced-charge-separation-1706.06656"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-dynamics-of-photoinduced-charge-separation-1706.06656"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-ion-and-water-transport-in-reverse-osmosis-membranes-1706.06835</loc><lastmod>2018-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-ion-and-water-transport-in-reverse-osmosis-membranes-1706.06835"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-ion-and-water-transport-in-reverse-osmosis-membranes-1706.06835"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-coupled-cluster-theory-efficient-sampling-of-the-coupled-cluster-expansion-1706.07017</loc><lastmod>2018-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-coupled-cluster-theory-efficient-sampling-of-the-coupled-cluster-expansion-1706.07017"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-coupled-cluster-theory-efficient-sampling-of-the-coupled-cluster-expansion-1706.07017"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-the-energy-with-quantum-monte-carlo-a-lower-numerical-scaling-for-jastrow-slater-expansions-1706.07588</loc><lastmod>2017-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-the-energy-with-quantum-monte-carlo-a-lower-numerical-scaling-for-jastrow-slater-expansions-1706.07588"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-the-energy-with-quantum-monte-carlo-a-lower-numerical-scaling-for-jastrow-slater-expansions-1706.07588"/></url>
<url><loc>https://scifaro.com/en/abs/stark-resonance-parameters-for-the-3a-1-orbital-of-the-water-molecule-1706.07771</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stark-resonance-parameters-for-the-3a-1-orbital-of-the-water-molecule-1706.07771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stark-resonance-parameters-for-the-3a-1-orbital-of-the-water-molecule-1706.07771"/></url>
<url><loc>https://scifaro.com/en/abs/the-nature-of-three-body-interactions-in-dft-exchange-and-polarization-effects-1706.07982</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-nature-of-three-body-interactions-in-dft-exchange-and-polarization-effects-1706.07982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-nature-of-three-body-interactions-in-dft-exchange-and-polarization-effects-1706.07982"/></url>
<url><loc>https://scifaro.com/en/abs/alignment-orientation-and-coulomb-explosion-of-difluoroiodobenzene-studied-with-the-pixel-imaging-mass-spectrometry-pimms-camera-1706.08376</loc><lastmod>2017-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alignment-orientation-and-coulomb-explosion-of-difluoroiodobenzene-studied-with-the-pixel-imaging-mass-spectrometry-pimms-camera-1706.08376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alignment-orientation-and-coulomb-explosion-of-difluoroiodobenzene-studied-with-the-pixel-imaging-mass-spectrometry-pimms-camera-1706.08376"/></url>
<url><loc>https://scifaro.com/en/abs/flows-scaling-and-the-control-of-moment-hierarchies-for-stochastic-chemical-reaction-networks-1706.08386</loc><lastmod>2017-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/flows-scaling-and-the-control-of-moment-hierarchies-for-stochastic-chemical-reaction-networks-1706.08386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/flows-scaling-and-the-control-of-moment-hierarchies-for-stochastic-chemical-reaction-networks-1706.08386"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-many-body-based-screening-optimization-and-mixing-ansatz-for-improvement-of-gw-bse-excitation-energies-of-molecular-systems-1706.08402</loc><lastmod>2017-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-many-body-based-screening-optimization-and-mixing-ansatz-for-improvement-of-gw-bse-excitation-energies-of-molecular-systems-1706.08402"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-many-body-based-screening-optimization-and-mixing-ansatz-for-improvement-of-gw-bse-excitation-energies-of-molecular-systems-1706.08402"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-state-mapping-ring-polymer-molecular-dynamics-for-non-adiabatic-quantum-propagations-1706.08403</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-state-mapping-ring-polymer-molecular-dynamics-for-non-adiabatic-quantum-propagations-1706.08403"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-state-mapping-ring-polymer-molecular-dynamics-for-non-adiabatic-quantum-propagations-1706.08403"/></url>
<url><loc>https://scifaro.com/en/abs/room-temperature-ionic-liquids-meet-bio-membranes-the-state-of-the-art-1706.08509</loc><lastmod>2019-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/room-temperature-ionic-liquids-meet-bio-membranes-the-state-of-the-art-1706.08509"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/room-temperature-ionic-liquids-meet-bio-membranes-the-state-of-the-art-1706.08509"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-surface-charging-on-catalytic-processes-1706.08714</loc><lastmod>2021-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-surface-charging-on-catalytic-processes-1706.08714"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-surface-charging-on-catalytic-processes-1706.08714"/></url>
<url><loc>https://scifaro.com/en/abs/the-optimal-particle-mesh-interpolation-basis-1706.08741</loc><lastmod>2017-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-optimal-particle-mesh-interpolation-basis-1706.08741"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-optimal-particle-mesh-interpolation-basis-1706.08741"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-hyperfine-structure-constants-of-small-molecules-using-z-vector-method-in-the-relativistic-coupled-cluster-framework-1706.09205</loc><lastmod>2017-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-hyperfine-structure-constants-of-small-molecules-using-z-vector-method-in-the-relativistic-coupled-cluster-framework-1706.09205"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-hyperfine-structure-constants-of-small-molecules-using-z-vector-method-in-the-relativistic-coupled-cluster-framework-1706.09205"/></url>
<url><loc>https://scifaro.com/en/abs/size-dependent-electronic-properties-of-silicon-quantum-dots-an-analysis-with-hybrid-screened-hybrid-and-local-density-functional-theory-1706.09324</loc><lastmod>2018-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-dependent-electronic-properties-of-silicon-quantum-dots-an-analysis-with-hybrid-screened-hybrid-and-local-density-functional-theory-1706.09324"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-dependent-electronic-properties-of-silicon-quantum-dots-an-analysis-with-hybrid-screened-hybrid-and-local-density-functional-theory-1706.09324"/></url>
<url><loc>https://scifaro.com/en/abs/self-assembled-monolayer-molecule-dynamics-are-perturbed-by-surface-and-surrounding-monolayer-derived-geometrical-confinement-1706.09325</loc><lastmod>2017-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-assembled-monolayer-molecule-dynamics-are-perturbed-by-surface-and-surrounding-monolayer-derived-geometrical-confinement-1706.09325"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-assembled-monolayer-molecule-dynamics-are-perturbed-by-surface-and-surrounding-monolayer-derived-geometrical-confinement-1706.09325"/></url>
<url><loc>https://scifaro.com/en/abs/time-step-targeting-time-dependent-and-dynamical-density-matrix-renormalization-group-algorithms-with-ab-initio-hamiltonians-1706.09537</loc><lastmod>2017-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-step-targeting-time-dependent-and-dynamical-density-matrix-renormalization-group-algorithms-with-ab-initio-hamiltonians-1706.09537"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-step-targeting-time-dependent-and-dynamical-density-matrix-renormalization-group-algorithms-with-ab-initio-hamiltonians-1706.09537"/></url>
<url><loc>https://scifaro.com/en/abs/probing-photoisomerization-processes-by-means-of-multi-dimensional-electronic-spectroscopy-the-multi-state-quantum-hierarchical-fokker-planck-equation-approach-1706.09590</loc><lastmod>2019-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-photoisomerization-processes-by-means-of-multi-dimensional-electronic-spectroscopy-the-multi-state-quantum-hierarchical-fokker-planck-equation-approach-1706.09590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-photoisomerization-processes-by-means-of-multi-dimensional-electronic-spectroscopy-the-multi-state-quantum-hierarchical-fokker-planck-equation-approach-1706.09590"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-the-dense-uniform-electron-gas-with-high-orders-of-coupled-cluster-1706.09923</loc><lastmod>2018-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-the-dense-uniform-electron-gas-with-high-orders-of-coupled-cluster-1706.09923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-the-dense-uniform-electron-gas-with-high-orders-of-coupled-cluster-1706.09923"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-investigation-of-in-situ-k-restore-processes-for-damaged-ultra-low-k-dielectrics-1706.10064</loc><lastmod>2017-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-investigation-of-in-situ-k-restore-processes-for-damaged-ultra-low-k-dielectrics-1706.10064"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-investigation-of-in-situ-k-restore-processes-for-damaged-ultra-low-k-dielectrics-1706.10064"/></url>
<url><loc>https://scifaro.com/en/abs/near-infrared-emitting-single-squaraine-dye-aggregate-with-large-stokes-shift-1706.10161</loc><lastmod>2021-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-infrared-emitting-single-squaraine-dye-aggregate-with-large-stokes-shift-1706.10161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-infrared-emitting-single-squaraine-dye-aggregate-with-large-stokes-shift-1706.10161"/></url>
<url><loc>https://scifaro.com/en/abs/cold-collisions-in-a-molecular-synchrotron-1706.10236</loc><lastmod>2018-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-collisions-in-a-molecular-synchrotron-1706.10236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-collisions-in-a-molecular-synchrotron-1706.10236"/></url>
<url><loc>https://scifaro.com/en/abs/a-systematic-four-dimensional-approach-to-strong-field-control-of-molecular-torsions-1707.00022</loc><lastmod>2017-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-systematic-four-dimensional-approach-to-strong-field-control-of-molecular-torsions-1707.00022"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-systematic-four-dimensional-approach-to-strong-field-control-of-molecular-torsions-1707.00022"/></url>
<url><loc>https://scifaro.com/en/abs/coulometry-and-calorimetry-of-electric-double-layer-formation-in-porous-electrodes-1707.00120</loc><lastmod>2017-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coulometry-and-calorimetry-of-electric-double-layer-formation-in-porous-electrodes-1707.00120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coulometry-and-calorimetry-of-electric-double-layer-formation-in-porous-electrodes-1707.00120"/></url>
<url><loc>https://scifaro.com/en/abs/addition-and-removal-energies-of-circular-quantum-dots-1707.00229</loc><lastmod>2017-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/addition-and-removal-energies-of-circular-quantum-dots-1707.00229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/addition-and-removal-energies-of-circular-quantum-dots-1707.00229"/></url>
<url><loc>https://scifaro.com/en/abs/optical-imaging-of-surface-chemistry-and-dynamics-in-confinement-1707.00590</loc><lastmod>2017-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-imaging-of-surface-chemistry-and-dynamics-in-confinement-1707.00590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-imaging-of-surface-chemistry-and-dynamics-in-confinement-1707.00590"/></url>
<url><loc>https://scifaro.com/en/abs/combining-density-functional-theory-and-green-s-function-theory-range-separated-non-local-dynamic-and-orbital-dependent-hybrid-functional-1707.00595</loc><lastmod>2018-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-density-functional-theory-and-green-s-function-theory-range-separated-non-local-dynamic-and-orbital-dependent-hybrid-functional-1707.00595"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-density-functional-theory-and-green-s-function-theory-range-separated-non-local-dynamic-and-orbital-dependent-hybrid-functional-1707.00595"/></url>
<url><loc>https://scifaro.com/en/abs/localized-orbital-scaling-correction-for-systematic-elimination-of-delocalization-error-in-density-functional-approximations-1707.00856</loc><lastmod>2017-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/localized-orbital-scaling-correction-for-systematic-elimination-of-delocalization-error-in-density-functional-approximations-1707.00856"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/localized-orbital-scaling-correction-for-systematic-elimination-of-delocalization-error-in-density-functional-approximations-1707.00856"/></url>
<url><loc>https://scifaro.com/en/abs/aging-feynman-kac-equation-1707.00915</loc><lastmod>2017-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/aging-feynman-kac-equation-1707.00915"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/aging-feynman-kac-equation-1707.00915"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-the-adaptive-multilevel-splitting-method-on-the-isomerization-of-alanine-dipeptide-1707.00950</loc><lastmod>2018-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-the-adaptive-multilevel-splitting-method-on-the-isomerization-of-alanine-dipeptide-1707.00950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-the-adaptive-multilevel-splitting-method-on-the-isomerization-of-alanine-dipeptide-1707.00950"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-molecular-density-functional-theory-using-generalized-spherical-harmonics-expansions-1707.01385</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-molecular-density-functional-theory-using-generalized-spherical-harmonics-expansions-1707.01385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-molecular-density-functional-theory-using-generalized-spherical-harmonics-expansions-1707.01385"/></url>
<url><loc>https://scifaro.com/en/abs/comparison-of-donor-acceptor-pi-conjugated-dyes-in-model-solar-cells-a-study-of-interfacial-ultrafast-electron-migration-1707.01419</loc><lastmod>2017-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparison-of-donor-acceptor-pi-conjugated-dyes-in-model-solar-cells-a-study-of-interfacial-ultrafast-electron-migration-1707.01419"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparison-of-donor-acceptor-pi-conjugated-dyes-in-model-solar-cells-a-study-of-interfacial-ultrafast-electron-migration-1707.01419"/></url>
<url><loc>https://scifaro.com/en/abs/measuring-molecular-parity-nonconservation-using-nuclear-magnetic-resonance-spectroscopy-1707.01759</loc><lastmod>2017-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-molecular-parity-nonconservation-using-nuclear-magnetic-resonance-spectroscopy-1707.01759"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-molecular-parity-nonconservation-using-nuclear-magnetic-resonance-spectroscopy-1707.01759"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-dynamics-method-for-excited-electrons-in-molecular-aggregate-system-using-a-group-diabatic-fock-matrix-1707.02139</loc><lastmod>2017-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-dynamics-method-for-excited-electrons-in-molecular-aggregate-system-using-a-group-diabatic-fock-matrix-1707.02139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-dynamics-method-for-excited-electrons-in-molecular-aggregate-system-using-a-group-diabatic-fock-matrix-1707.02139"/></url>
<url><loc>https://scifaro.com/en/abs/stable-products-of-laser-induced-breakdown-of-aqueous-colloidal-solutions-of-nanoparticles-1707.02357</loc><lastmod>2017-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stable-products-of-laser-induced-breakdown-of-aqueous-colloidal-solutions-of-nanoparticles-1707.02357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stable-products-of-laser-induced-breakdown-of-aqueous-colloidal-solutions-of-nanoparticles-1707.02357"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-divide-and-conquer-method-for-spectroscopic-calculations-of-high-dimensional-molecular-systems-1707.02724</loc><lastmod>2017-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-divide-and-conquer-method-for-spectroscopic-calculations-of-high-dimensional-molecular-systems-1707.02724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-divide-and-conquer-method-for-spectroscopic-calculations-of-high-dimensional-molecular-systems-1707.02724"/></url>
<url><loc>https://scifaro.com/en/abs/static-field-gradient-polarizabilities-of-small-atoms-and-molecules-in-finite-temperature-1707.02829</loc><lastmod>2017-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/static-field-gradient-polarizabilities-of-small-atoms-and-molecules-in-finite-temperature-1707.02829"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/static-field-gradient-polarizabilities-of-small-atoms-and-molecules-in-finite-temperature-1707.02829"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-photocatalytic-nitrogen-fixation-on-rutile-tio-2-110-1707.03031</loc><lastmod>2018-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-photocatalytic-nitrogen-fixation-on-rutile-tio-2-110-1707.03031"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-photocatalytic-nitrogen-fixation-on-rutile-tio-2-110-1707.03031"/></url>
<url><loc>https://scifaro.com/en/abs/production-of-carbon-clusters-text-c-3-to-text-c-12-with-a-cryogenic-buffer-gas-beam-source-1707.03312</loc><lastmod>2017-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/production-of-carbon-clusters-text-c-3-to-text-c-12-with-a-cryogenic-buffer-gas-beam-source-1707.03312"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/production-of-carbon-clusters-text-c-3-to-text-c-12-with-a-cryogenic-buffer-gas-beam-source-1707.03312"/></url>
<url><loc>https://scifaro.com/en/abs/vibrationally-resolved-electronic-spectra-including-vibrational-pre-excitation-theory-and-application-to-viper-spectroscopy-1707.03476</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrationally-resolved-electronic-spectra-including-vibrational-pre-excitation-theory-and-application-to-viper-spectroscopy-1707.03476"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrationally-resolved-electronic-spectra-including-vibrational-pre-excitation-theory-and-application-to-viper-spectroscopy-1707.03476"/></url>
<url><loc>https://scifaro.com/en/abs/partial-density-of-states-ligand-field-theory-pdos-lft-recovering-a-lft-like-picture-and-application-to-photoproperties-of-ruthenium-ii-polypyridine-complexes-1707.03665</loc><lastmod>2023-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/partial-density-of-states-ligand-field-theory-pdos-lft-recovering-a-lft-like-picture-and-application-to-photoproperties-of-ruthenium-ii-polypyridine-complexes-1707.03665"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/partial-density-of-states-ligand-field-theory-pdos-lft-recovering-a-lft-like-picture-and-application-to-photoproperties-of-ruthenium-ii-polypyridine-complexes-1707.03665"/></url>
<url><loc>https://scifaro.com/en/abs/bagel-brilliantly-advanced-general-electronic-structure-library-1707.03771</loc><lastmod>2018-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bagel-brilliantly-advanced-general-electronic-structure-library-1707.03771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bagel-brilliantly-advanced-general-electronic-structure-library-1707.03771"/></url>
<url><loc>https://scifaro.com/en/abs/solubility-limit-of-methyl-red-and-methylene-blue-in-microemulsions-and-liquid-crystals-of-water-sds-and-pentanol-systems-1707.03806</loc><lastmod>2017-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solubility-limit-of-methyl-red-and-methylene-blue-in-microemulsions-and-liquid-crystals-of-water-sds-and-pentanol-systems-1707.03806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solubility-limit-of-methyl-red-and-methylene-blue-in-microemulsions-and-liquid-crystals-of-water-sds-and-pentanol-systems-1707.03806"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-generation-of-effective-core-potentials-for-correlated-calculations-1707.03939</loc><lastmod>2017-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-generation-of-effective-core-potentials-for-correlated-calculations-1707.03939"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-generation-of-effective-core-potentials-for-correlated-calculations-1707.03939"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-machine-learning-using-atom-in-molecule-based-fragments-selected-on-the-fly-1707.04146</loc><lastmod>2020-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-machine-learning-using-atom-in-molecule-based-fragments-selected-on-the-fly-1707.04146"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-machine-learning-using-atom-in-molecule-based-fragments-selected-on-the-fly-1707.04146"/></url>
<url><loc>https://scifaro.com/en/abs/pushing-configuration-interaction-to-the-limit-towards-massively-parallel-mcscf-calculations-1707.04346</loc><lastmod>2026-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pushing-configuration-interaction-to-the-limit-towards-massively-parallel-mcscf-calculations-1707.04346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pushing-configuration-interaction-to-the-limit-towards-massively-parallel-mcscf-calculations-1707.04346"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-functional-pseudopotentials-1707.04501</loc><lastmod>2018-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-functional-pseudopotentials-1707.04501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-functional-pseudopotentials-1707.04501"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-design-of-solid-electrolytes-with-superb-ionic-conductivity-alloying-effect-on-li-transportation-in-cubic-li6pa5x-chalcogenides-1707.04541</loc><lastmod>2017-07-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-design-of-solid-electrolytes-with-superb-ionic-conductivity-alloying-effect-on-li-transportation-in-cubic-li6pa5x-chalcogenides-1707.04541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-design-of-solid-electrolytes-with-superb-ionic-conductivity-alloying-effect-on-li-transportation-in-cubic-li6pa5x-chalcogenides-1707.04541"/></url>
<url><loc>https://scifaro.com/en/abs/stationary-state-distribution-and-efficiency-analysis-of-the-langevin-equation-via-real-or-virtual-dynamics-1707.04685</loc><lastmod>2017-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stationary-state-distribution-and-efficiency-analysis-of-the-langevin-equation-via-real-or-virtual-dynamics-1707.04685"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stationary-state-distribution-and-efficiency-analysis-of-the-langevin-equation-via-real-or-virtual-dynamics-1707.04685"/></url>
<url><loc>https://scifaro.com/en/abs/feedback-control-optimisation-of-esr-experiments-1707.05184</loc><lastmod>2018-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/feedback-control-optimisation-of-esr-experiments-1707.05184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/feedback-control-optimisation-of-esr-experiments-1707.05184"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-indistinguishability-in-chemical-reactions-1707.05320</loc><lastmod>2018-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-indistinguishability-in-chemical-reactions-1707.05320"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-indistinguishability-in-chemical-reactions-1707.05320"/></url>
<url><loc>https://scifaro.com/en/abs/energy-dependent-stereodynamics-of-the-ne-3-p-2-ar-reaction-1707.05492</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-dependent-stereodynamics-of-the-ne-3-p-2-ar-reaction-1707.05492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-dependent-stereodynamics-of-the-ne-3-p-2-ar-reaction-1707.05492"/></url>
<url><loc>https://scifaro.com/en/abs/from-anti-perovskite-to-double-anti-perovskite-lattice-chemistry-basis-for-super-fast-transportation-of-li-ions-in-cubic-solid-lithium-halogen-chalcogenides-1707.05868</loc><lastmod>2017-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-anti-perovskite-to-double-anti-perovskite-lattice-chemistry-basis-for-super-fast-transportation-of-li-ions-in-cubic-solid-lithium-halogen-chalcogenides-1707.05868"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-anti-perovskite-to-double-anti-perovskite-lattice-chemistry-basis-for-super-fast-transportation-of-li-ions-in-cubic-solid-lithium-halogen-chalcogenides-1707.05868"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-energy-ordering-of-gas-phase-glycine-and-the-dipole-moment-via-plane-wave-density-functional-theory-calculations-1707.06148</loc><lastmod>2017-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-energy-ordering-of-gas-phase-glycine-and-the-dipole-moment-via-plane-wave-density-functional-theory-calculations-1707.06148"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-energy-ordering-of-gas-phase-glycine-and-the-dipole-moment-via-plane-wave-density-functional-theory-calculations-1707.06148"/></url>
<url><loc>https://scifaro.com/en/abs/catalyzed-bimolecular-reactions-in-responsive-nanoreactors-1707.06174</loc><lastmod>2018-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catalyzed-bimolecular-reactions-in-responsive-nanoreactors-1707.06174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catalyzed-bimolecular-reactions-in-responsive-nanoreactors-1707.06174"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-six-imidazolium-based-ionic-liquids-as-thermo-kinetic-inhibitors-for-methane-hydrate-by-molecular-dynamics-simulation-1707.06229</loc><lastmod>2017-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-six-imidazolium-based-ionic-liquids-as-thermo-kinetic-inhibitors-for-methane-hydrate-by-molecular-dynamics-simulation-1707.06229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-six-imidazolium-based-ionic-liquids-as-thermo-kinetic-inhibitors-for-methane-hydrate-by-molecular-dynamics-simulation-1707.06229"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-tachysterol-in-vitamin-d-photosynthesis-a-non-adiabatic-molecular-dynamics-study-1707.06305</loc><lastmod>2017-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-tachysterol-in-vitamin-d-photosynthesis-a-non-adiabatic-molecular-dynamics-study-1707.06305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-tachysterol-in-vitamin-d-photosynthesis-a-non-adiabatic-molecular-dynamics-study-1707.06305"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-for-quantum-dynamics-deep-learning-of-excitation-energy-transfer-properties-1707.06338</loc><lastmod>2017-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-for-quantum-dynamics-deep-learning-of-excitation-energy-transfer-properties-1707.06338"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-for-quantum-dynamics-deep-learning-of-excitation-energy-transfer-properties-1707.06338"/></url>
<url><loc>https://scifaro.com/en/abs/from-solvent-free-to-dilute-electrolytes-essential-components-for-a-continuum-theory-1707.06940</loc><lastmod>2018-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-solvent-free-to-dilute-electrolytes-essential-components-for-a-continuum-theory-1707.06940"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-solvent-free-to-dilute-electrolytes-essential-components-for-a-continuum-theory-1707.06940"/></url>
<url><loc>https://scifaro.com/en/abs/gaussian-and-plane-wave-mixed-density-fitting-for-periodic-systems-1707.07114</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-and-plane-wave-mixed-density-fitting-for-periodic-systems-1707.07114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-and-plane-wave-mixed-density-fitting-for-periodic-systems-1707.07114"/></url>
<url><loc>https://scifaro.com/en/abs/developing-a-molecular-theory-of-electromechanical-responses-1707.07464</loc><lastmod>2017-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/developing-a-molecular-theory-of-electromechanical-responses-1707.07464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/developing-a-molecular-theory-of-electromechanical-responses-1707.07464"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-of-xenon-and-iron-nickel-intermetallic-compounds-at-earth-s-core-thermodynamic-conditions-1707.07541</loc><lastmod>2018-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-of-xenon-and-iron-nickel-intermetallic-compounds-at-earth-s-core-thermodynamic-conditions-1707.07541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-of-xenon-and-iron-nickel-intermetallic-compounds-at-earth-s-core-thermodynamic-conditions-1707.07541"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-flux-density-maps-reveal-unique-current-patterns-in-a-single-molecule-graphene-nanoribbon-junction-1707.07635</loc><lastmod>2020-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-flux-density-maps-reveal-unique-current-patterns-in-a-single-molecule-graphene-nanoribbon-junction-1707.07635"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-flux-density-maps-reveal-unique-current-patterns-in-a-single-molecule-graphene-nanoribbon-junction-1707.07635"/></url>
<url><loc>https://scifaro.com/en/abs/co2-ch4-conversion-and-syngas-formation-at-atmospheric-pressure-using-a-multi-electrode-dielectric-barrier-discharge-1707.07709</loc><lastmod>2017-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/co2-ch4-conversion-and-syngas-formation-at-atmospheric-pressure-using-a-multi-electrode-dielectric-barrier-discharge-1707.07709"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/co2-ch4-conversion-and-syngas-formation-at-atmospheric-pressure-using-a-multi-electrode-dielectric-barrier-discharge-1707.07709"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-elastic-models-in-supercooled-water-a-molecular-dynamics-study-with-the-tip4p-2005f-force-field-1707.07883</loc><lastmod>2017-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-elastic-models-in-supercooled-water-a-molecular-dynamics-study-with-the-tip4p-2005f-force-field-1707.07883"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-elastic-models-in-supercooled-water-a-molecular-dynamics-study-with-the-tip4p-2005f-force-field-1707.07883"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-in-time-dependent-density-functional-theory-1707.08054</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-in-time-dependent-density-functional-theory-1707.08054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-in-time-dependent-density-functional-theory-1707.08054"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-phase-effects-in-excited-state-dynamics-through-a-conical-intersection-in-large-molecules-n-dimensional-linear-vibronic-coupling-model-study-1707.08266</loc><lastmod>2017-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-phase-effects-in-excited-state-dynamics-through-a-conical-intersection-in-large-molecules-n-dimensional-linear-vibronic-coupling-model-study-1707.08266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-phase-effects-in-excited-state-dynamics-through-a-conical-intersection-in-large-molecules-n-dimensional-linear-vibronic-coupling-model-study-1707.08266"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-self-consistent-second-order-green-s-function-method-for-correlation-energies-of-large-electronic-systems-1707.08296</loc><lastmod>2017-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-self-consistent-second-order-green-s-function-method-for-correlation-energies-of-large-electronic-systems-1707.08296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-self-consistent-second-order-green-s-function-method-for-correlation-energies-of-large-electronic-systems-1707.08296"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-description-of-inversion-vibrational-mode-for-ammonia-molecule-1707.08432</loc><lastmod>2017-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-description-of-inversion-vibrational-mode-for-ammonia-molecule-1707.08432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-description-of-inversion-vibrational-mode-for-ammonia-molecule-1707.08432"/></url>
<url><loc>https://scifaro.com/en/abs/atomistic-mechanisms-for-the-nucleation-of-aluminium-oxide-nanoparticles-1707.08434</loc><lastmod>2017-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomistic-mechanisms-for-the-nucleation-of-aluminium-oxide-nanoparticles-1707.08434"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomistic-mechanisms-for-the-nucleation-of-aluminium-oxide-nanoparticles-1707.08434"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-bonding-in-protic-ionic-liquids-structural-correlations-vibrational-spectroscopy-and-rotational-dynamics-of-liquid-ethylammonium-nitrate-1707.08436</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-bonding-in-protic-ionic-liquids-structural-correlations-vibrational-spectroscopy-and-rotational-dynamics-of-liquid-ethylammonium-nitrate-1707.08436"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-bonding-in-protic-ionic-liquids-structural-correlations-vibrational-spectroscopy-and-rotational-dynamics-of-liquid-ethylammonium-nitrate-1707.08436"/></url>
<url><loc>https://scifaro.com/en/abs/nominal-vs-actual-supersaturation-of-solutions-1707.08777</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nominal-vs-actual-supersaturation-of-solutions-1707.08777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nominal-vs-actual-supersaturation-of-solutions-1707.08777"/></url>
<url><loc>https://scifaro.com/en/abs/automatic-differential-analysis-of-nmr-experiments-in-complex-samples-1707.08805</loc><lastmod>2017-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automatic-differential-analysis-of-nmr-experiments-in-complex-samples-1707.08805"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automatic-differential-analysis-of-nmr-experiments-in-complex-samples-1707.08805"/></url>
<url><loc>https://scifaro.com/en/abs/a-calculation-of-the-deuterium-hugoniot-using-the-classical-map-hypernetted-chain-chnc-approach-1707.08880</loc><lastmod>2017-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-calculation-of-the-deuterium-hugoniot-using-the-classical-map-hypernetted-chain-chnc-approach-1707.08880"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-calculation-of-the-deuterium-hugoniot-using-the-classical-map-hypernetted-chain-chnc-approach-1707.08880"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-excited-states-seeking-a-balanced-and-efficient-wave-function-ansatz-in-variational-monte-carlo-1707.09439</loc><lastmod>2017-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-excited-states-seeking-a-balanced-and-efficient-wave-function-ansatz-in-variational-monte-carlo-1707.09439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-excited-states-seeking-a-balanced-and-efficient-wave-function-ansatz-in-variational-monte-carlo-1707.09439"/></url>
<url><loc>https://scifaro.com/en/abs/automated-transition-state-theory-calculations-for-high-throughput-kinetics-1707.09572</loc><lastmod>2017-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-transition-state-theory-calculations-for-high-throughput-kinetics-1707.09572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-transition-state-theory-calculations-for-high-throughput-kinetics-1707.09572"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-superhalogens-in-the-design-of-organic-superconductors-1707.09606</loc><lastmod>2018-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-superhalogens-in-the-design-of-organic-superconductors-1707.09606"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-superhalogens-in-the-design-of-organic-superconductors-1707.09606"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-off-diagonal-exciton-phonon-coupling-on-intramolecular-singlet-fission-1707.09619</loc><lastmod>2018-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-off-diagonal-exciton-phonon-coupling-on-intramolecular-singlet-fission-1707.09619"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-off-diagonal-exciton-phonon-coupling-on-intramolecular-singlet-fission-1707.09619"/></url>
<url><loc>https://scifaro.com/en/abs/mathematical-model-for-acid-water-neutralization-with-anomalous-and-fast-diffusion-1707.09962</loc><lastmod>2017-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathematical-model-for-acid-water-neutralization-with-anomalous-and-fast-diffusion-1707.09962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathematical-model-for-acid-water-neutralization-with-anomalous-and-fast-diffusion-1707.09962"/></url>
<url><loc>https://scifaro.com/en/abs/compressibility-anomalies-in-stretched-water-and-their-interplay-with-density-anomalies-1708.00063</loc><lastmod>2017-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compressibility-anomalies-in-stretched-water-and-their-interplay-with-density-anomalies-1708.00063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compressibility-anomalies-in-stretched-water-and-their-interplay-with-density-anomalies-1708.00063"/></url>
<url><loc>https://scifaro.com/en/abs/augmented-potential-energy-densities-and-virial-relations-in-the-weak-and-strong-interaction-limits-of-dft-1708.00414</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/augmented-potential-energy-densities-and-virial-relations-in-the-weak-and-strong-interaction-limits-of-dft-1708.00414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/augmented-potential-energy-densities-and-virial-relations-in-the-weak-and-strong-interaction-limits-of-dft-1708.00414"/></url>
<url><loc>https://scifaro.com/en/abs/non-dimensional-analysis-of-electrochemical-governing-equations-of-lead-acid-batteries-1708.00470</loc><lastmod>2019-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-dimensional-analysis-of-electrochemical-governing-equations-of-lead-acid-batteries-1708.00470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-dimensional-analysis-of-electrochemical-governing-equations-of-lead-acid-batteries-1708.00470"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-properties-of-diatomic-molecules-systems-under-anharmonic-eckart-potential-1708.00926</loc><lastmod>2019-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-properties-of-diatomic-molecules-systems-under-anharmonic-eckart-potential-1708.00926"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-properties-of-diatomic-molecules-systems-under-anharmonic-eckart-potential-1708.00926"/></url>
<url><loc>https://scifaro.com/en/abs/coherence-and-its-role-in-excitation-energy-transfer-in-fenna-mathews-olson-complex-1708.00933</loc><lastmod>2017-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherence-and-its-role-in-excitation-energy-transfer-in-fenna-mathews-olson-complex-1708.00933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherence-and-its-role-in-excitation-energy-transfer-in-fenna-mathews-olson-complex-1708.00933"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-the-morphology-dynamics-and-folding-pathways-of-ring-polymers-with-supramolecular-topological-constraints-using-molecular-simulation-and-nonlinear-manifold-learning-1708.00988</loc><lastmod>2018-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-the-morphology-dynamics-and-folding-pathways-of-ring-polymers-with-supramolecular-topological-constraints-using-molecular-simulation-and-nonlinear-manifold-learning-1708.00988"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-the-morphology-dynamics-and-folding-pathways-of-ring-polymers-with-supramolecular-topological-constraints-using-molecular-simulation-and-nonlinear-manifold-learning-1708.00988"/></url>
<url><loc>https://scifaro.com/en/abs/the-impact-of-roaming-radicals-on-the-combustion-properties-of-transportation-fuels-1708.01004</loc><lastmod>2018-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-impact-of-roaming-radicals-on-the-combustion-properties-of-transportation-fuels-1708.01004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-impact-of-roaming-radicals-on-the-combustion-properties-of-transportation-fuels-1708.01004"/></url>
<url><loc>https://scifaro.com/en/abs/extracting-spectroscopic-molecular-parameters-from-short-pulse-photo-electron-angular-distributions-1708.01120</loc><lastmod>2019-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extracting-spectroscopic-molecular-parameters-from-short-pulse-photo-electron-angular-distributions-1708.01120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extracting-spectroscopic-molecular-parameters-from-short-pulse-photo-electron-angular-distributions-1708.01120"/></url>
<url><loc>https://scifaro.com/en/abs/crossing-conditions-in-coupled-cluster-theory-1708.01252</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crossing-conditions-in-coupled-cluster-theory-1708.01252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crossing-conditions-in-coupled-cluster-theory-1708.01252"/></url>
<url><loc>https://scifaro.com/en/abs/resolving-the-notorious-case-of-conical-intersections-for-coupled-cluster-dynamics-1708.01269</loc><lastmod>2017-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resolving-the-notorious-case-of-conical-intersections-for-coupled-cluster-dynamics-1708.01269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resolving-the-notorious-case-of-conical-intersections-for-coupled-cluster-dynamics-1708.01269"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-low-scaling-approximations-to-eom-ccsd-method-for-ionization-potential-1708.01293</loc><lastmod>2017-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-low-scaling-approximations-to-eom-ccsd-method-for-ionization-potential-1708.01293"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-low-scaling-approximations-to-eom-ccsd-method-for-ionization-potential-1708.01293"/></url>
<url><loc>https://scifaro.com/en/abs/solvation-in-atomic-liquids-connection-between-gaussian-field-theory-and-density-functional-theory-1708.01299</loc><lastmod>2017-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvation-in-atomic-liquids-connection-between-gaussian-field-theory-and-density-functional-theory-1708.01299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvation-in-atomic-liquids-connection-between-gaussian-field-theory-and-density-functional-theory-1708.01299"/></url>
<url><loc>https://scifaro.com/en/abs/rovibrational-quantum-dynamical-computations-for-deuterated-isotopologues-of-the-methane-water-dimer-1708.01319</loc><lastmod>2017-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rovibrational-quantum-dynamical-computations-for-deuterated-isotopologues-of-the-methane-water-dimer-1708.01319"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rovibrational-quantum-dynamical-computations-for-deuterated-isotopologues-of-the-methane-water-dimer-1708.01319"/></url>
<url><loc>https://scifaro.com/en/abs/the-effects-of-halogen-elements-on-the-opening-of-an-icosahedral-b12-framework-1708.01424</loc><lastmod>2017-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effects-of-halogen-elements-on-the-opening-of-an-icosahedral-b12-framework-1708.01424"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effects-of-halogen-elements-on-the-opening-of-an-icosahedral-b12-framework-1708.01424"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-the-free-energy-of-lithium-solvation-in-the-protic-ionic-liquid-ethylammonuim-nitrate-a-metadynamics-study-1708.01501</loc><lastmod>2017-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-the-free-energy-of-lithium-solvation-in-the-protic-ionic-liquid-ethylammonuim-nitrate-a-metadynamics-study-1708.01501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-the-free-energy-of-lithium-solvation-in-the-protic-ionic-liquid-ethylammonuim-nitrate-a-metadynamics-study-1708.01501"/></url>
<url><loc>https://scifaro.com/en/abs/the-truncated-conjugate-gradient-tcg-a-non-iterative-fixed-cost-strategy-for-computing-polarization-in-molecular-dynamics-fast-evaluation-of-analytical-forces-1708.01539</loc><lastmod>2017-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-truncated-conjugate-gradient-tcg-a-non-iterative-fixed-cost-strategy-for-computing-polarization-in-molecular-dynamics-fast-evaluation-of-analytical-forces-1708.01539"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-truncated-conjugate-gradient-tcg-a-non-iterative-fixed-cost-strategy-for-computing-polarization-in-molecular-dynamics-fast-evaluation-of-analytical-forces-1708.01539"/></url>
<url><loc>https://scifaro.com/en/abs/virtual-orbital-many-body-expansions-a-possible-route-towards-the-full-configuration-interaction-limit-1708.02103</loc><lastmod>2017-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/virtual-orbital-many-body-expansions-a-possible-route-towards-the-full-configuration-interaction-limit-1708.02103"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/virtual-orbital-many-body-expansions-a-possible-route-towards-the-full-configuration-interaction-limit-1708.02103"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-impacts-of-discrepancies-in-model-parameters-on-autoignition-model-performance-a-case-study-using-butanol-1708.02232</loc><lastmod>2017-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-impacts-of-discrepancies-in-model-parameters-on-autoignition-model-performance-a-case-study-using-butanol-1708.02232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-impacts-of-discrepancies-in-model-parameters-on-autoignition-model-performance-a-case-study-using-butanol-1708.02232"/></url>
<url><loc>https://scifaro.com/en/abs/projector-quantum-monte-carlo-with-averaged-vs-explicit-spin-orbit-effects-applications-to-tungsten-molecular-systems-1708.02571</loc><lastmod>2017-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/projector-quantum-monte-carlo-with-averaged-vs-explicit-spin-orbit-effects-applications-to-tungsten-molecular-systems-1708.02571"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/projector-quantum-monte-carlo-with-averaged-vs-explicit-spin-orbit-effects-applications-to-tungsten-molecular-systems-1708.02571"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-of-doped-superfluid-liquid-helium-and-nanodroplets-1708.02652</loc><lastmod>2017-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-of-doped-superfluid-liquid-helium-and-nanodroplets-1708.02652"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-of-doped-superfluid-liquid-helium-and-nanodroplets-1708.02652"/></url>
<url><loc>https://scifaro.com/en/abs/tensor-structured-coupled-cluster-theory-1708.02674</loc><lastmod>2020-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tensor-structured-coupled-cluster-theory-1708.02674"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tensor-structured-coupled-cluster-theory-1708.02674"/></url>
<url><loc>https://scifaro.com/en/abs/interfacial-tension-of-reactive-liquid-interfaces-and-its-consequences-1708.02804</loc><lastmod>2017-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interfacial-tension-of-reactive-liquid-interfaces-and-its-consequences-1708.02804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interfacial-tension-of-reactive-liquid-interfaces-and-its-consequences-1708.02804"/></url>
<url><loc>https://scifaro.com/en/abs/nacl-crystal-from-salt-solution-with-far-below-saturated-concentration-under-ambient-condition-1708.02994</loc><lastmod>2017-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nacl-crystal-from-salt-solution-with-far-below-saturated-concentration-under-ambient-condition-1708.02994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nacl-crystal-from-salt-solution-with-far-below-saturated-concentration-under-ambient-condition-1708.02994"/></url>
<url><loc>https://scifaro.com/en/abs/computing-solvated-excited-states-using-fragment-effective-field-coupled-cluster-perturbation-theory-with-application-to-the-electronic-spectra-of-nucleobases-in-water-1708.03377</loc><lastmod>2017-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computing-solvated-excited-states-using-fragment-effective-field-coupled-cluster-perturbation-theory-with-application-to-the-electronic-spectra-of-nucleobases-in-water-1708.03377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computing-solvated-excited-states-using-fragment-effective-field-coupled-cluster-perturbation-theory-with-application-to-the-electronic-spectra-of-nucleobases-in-water-1708.03377"/></url>
<url><loc>https://scifaro.com/en/abs/combining-extrapolation-with-ghost-interaction-correction-in-range-separated-ensemble-density-functional-theory-for-excited-states-1708.03478</loc><lastmod>2017-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-extrapolation-with-ghost-interaction-correction-in-range-separated-ensemble-density-functional-theory-for-excited-states-1708.03478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-extrapolation-with-ghost-interaction-correction-in-range-separated-ensemble-density-functional-theory-for-excited-states-1708.03478"/></url>
<url><loc>https://scifaro.com/en/abs/variational-treatment-of-electron-polyatomic-molecule-scattering-calculations-using-adaptive-overset-grids-1708.03679</loc><lastmod>2017-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-treatment-of-electron-polyatomic-molecule-scattering-calculations-using-adaptive-overset-grids-1708.03679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-treatment-of-electron-polyatomic-molecule-scattering-calculations-using-adaptive-overset-grids-1708.03679"/></url>
<url><loc>https://scifaro.com/en/abs/global-method-for-electron-correlation-1708.03719</loc><lastmod>2017-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/global-method-for-electron-correlation-1708.03719"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/global-method-for-electron-correlation-1708.03719"/></url>
<url><loc>https://scifaro.com/en/abs/determination-of-the-electric-dipole-moment-of-a-molecule-from-density-functional-theory-calculations-1708.03834</loc><lastmod>2019-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determination-of-the-electric-dipole-moment-of-a-molecule-from-density-functional-theory-calculations-1708.03834"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determination-of-the-electric-dipole-moment-of-a-molecule-from-density-functional-theory-calculations-1708.03834"/></url>
<url><loc>https://scifaro.com/en/abs/filming-non-radiative-population-transfer-time-resolved-x-ray-scattering-near-an-avoided-crossing-1708.03847</loc><lastmod>2017-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/filming-non-radiative-population-transfer-time-resolved-x-ray-scattering-near-an-avoided-crossing-1708.03847"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/filming-non-radiative-population-transfer-time-resolved-x-ray-scattering-near-an-avoided-crossing-1708.03847"/></url>
<url><loc>https://scifaro.com/en/abs/hartree-exchange-in-ensemble-density-functional-theory-avoiding-the-non-uniqueness-disaster-1708.03966</loc><lastmod>2017-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hartree-exchange-in-ensemble-density-functional-theory-avoiding-the-non-uniqueness-disaster-1708.03966"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hartree-exchange-in-ensemble-density-functional-theory-avoiding-the-non-uniqueness-disaster-1708.03966"/></url>
<url><loc>https://scifaro.com/en/abs/orienting-asymmetric-molecules-by-laser-fields-with-skewed-polarization-1708.04010</loc><lastmod>2018-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orienting-asymmetric-molecules-by-laser-fields-with-skewed-polarization-1708.04010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orienting-asymmetric-molecules-by-laser-fields-with-skewed-polarization-1708.04010"/></url>
<url><loc>https://scifaro.com/en/abs/communication-two-structure-thermodynamics-unifying-all-scenarios-for-water-anomalies-1708.04054</loc><lastmod>2021-09-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/communication-two-structure-thermodynamics-unifying-all-scenarios-for-water-anomalies-1708.04054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/communication-two-structure-thermodynamics-unifying-all-scenarios-for-water-anomalies-1708.04054"/></url>
<url><loc>https://scifaro.com/en/abs/the-h-2-he-proton-transfer-reaction-quantum-reactive-differential-cross-sections-linked-with-velocity-mappings-1708.04076</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-h-2-he-proton-transfer-reaction-quantum-reactive-differential-cross-sections-linked-with-velocity-mappings-1708.04076"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-h-2-he-proton-transfer-reaction-quantum-reactive-differential-cross-sections-linked-with-velocity-mappings-1708.04076"/></url>
<url><loc>https://scifaro.com/en/abs/how-do-methyl-groups-enhance-the-triplet-chemiexcitation-yield-of-dioxetane-1708.04114</loc><lastmod>2017-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-do-methyl-groups-enhance-the-triplet-chemiexcitation-yield-of-dioxetane-1708.04114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-do-methyl-groups-enhance-the-triplet-chemiexcitation-yield-of-dioxetane-1708.04114"/></url>
<url><loc>https://scifaro.com/en/abs/ani-1-a-data-set-of-20m-off-equilibrium-dft-calculations-for-organic-molecules-1708.04987</loc><lastmod>2018-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ani-1-a-data-set-of-20m-off-equilibrium-dft-calculations-for-organic-molecules-1708.04987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ani-1-a-data-set-of-20m-off-equilibrium-dft-calculations-for-organic-molecules-1708.04987"/></url>
<url><loc>https://scifaro.com/en/abs/optical-absorption-preceding-resonant-double-photoionization-of-aromatic-hydrocarbons-hydrocarbons-1708.05049</loc><lastmod>2018-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-absorption-preceding-resonant-double-photoionization-of-aromatic-hydrocarbons-hydrocarbons-1708.05049"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-absorption-preceding-resonant-double-photoionization-of-aromatic-hydrocarbons-hydrocarbons-1708.05049"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-study-of-the-optoelectronic-properties-of-pi-conjugated-copolymers-for-organic-light-emitting-diodes-1708.05247</loc><lastmod>2017-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-study-of-the-optoelectronic-properties-of-pi-conjugated-copolymers-for-organic-light-emitting-diodes-1708.05247"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-study-of-the-optoelectronic-properties-of-pi-conjugated-copolymers-for-organic-light-emitting-diodes-1708.05247"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-strength-of-gravitational-field-on-the-rate-of-chemical-reactions-1708.05285</loc><lastmod>2024-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-strength-of-gravitational-field-on-the-rate-of-chemical-reactions-1708.05285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-strength-of-gravitational-field-on-the-rate-of-chemical-reactions-1708.05285"/></url>
<url><loc>https://scifaro.com/en/abs/polarization-effects-on-intermolecular-vibrational-energy-transfer-analyzed-by-2dir-spectroscopy-1708.05297</loc><lastmod>2017-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polarization-effects-on-intermolecular-vibrational-energy-transfer-analyzed-by-2dir-spectroscopy-1708.05297"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polarization-effects-on-intermolecular-vibrational-energy-transfer-analyzed-by-2dir-spectroscopy-1708.05297"/></url>
<url><loc>https://scifaro.com/en/abs/occupied-orbital-fast-multipole-method-for-efficient-exact-exchange-evaluation-1708.05353</loc><lastmod>2018-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/occupied-orbital-fast-multipole-method-for-efficient-exact-exchange-evaluation-1708.05353"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/occupied-orbital-fast-multipole-method-for-efficient-exact-exchange-evaluation-1708.05353"/></url>
<url><loc>https://scifaro.com/en/abs/a-mode-coupling-theory-analysis-of-the-rotation-driven-translational-motion-of-aqueous-polyatomic-ions-1708.05430</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mode-coupling-theory-analysis-of-the-rotation-driven-translational-motion-of-aqueous-polyatomic-ions-1708.05430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mode-coupling-theory-analysis-of-the-rotation-driven-translational-motion-of-aqueous-polyatomic-ions-1708.05430"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-broken-pair-excitations-on-the-exact-pair-wavefunction-1708.05696</loc><lastmod>2020-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-broken-pair-excitations-on-the-exact-pair-wavefunction-1708.05696"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-broken-pair-excitations-on-the-exact-pair-wavefunction-1708.05696"/></url>
<url><loc>https://scifaro.com/en/abs/dipolar-filtered-magic-sandwich-echoes-as-a-tool-for-probing-molecular-motions-using-time-domain-nmr-1708.05736</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dipolar-filtered-magic-sandwich-echoes-as-a-tool-for-probing-molecular-motions-using-time-domain-nmr-1708.05736"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dipolar-filtered-magic-sandwich-echoes-as-a-tool-for-probing-molecular-motions-using-time-domain-nmr-1708.05736"/></url>
<url><loc>https://scifaro.com/en/abs/structuring-of-fluid-adlayers-upon-ongoing-unimolecular-adsorption-1708.05843</loc><lastmod>2018-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structuring-of-fluid-adlayers-upon-ongoing-unimolecular-adsorption-1708.05843"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structuring-of-fluid-adlayers-upon-ongoing-unimolecular-adsorption-1708.05843"/></url>
<url><loc>https://scifaro.com/en/abs/microfluidic-control-of-nucleation-and-growth-of-calcite-1708.06299</loc><lastmod>2018-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microfluidic-control-of-nucleation-and-growth-of-calcite-1708.06299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microfluidic-control-of-nucleation-and-growth-of-calcite-1708.06299"/></url>
<url><loc>https://scifaro.com/en/abs/explicitly-correlated-formalism-for-second-order-single-particle-green-s-function-1708.06474</loc><lastmod>2017-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explicitly-correlated-formalism-for-second-order-single-particle-green-s-function-1708.06474"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explicitly-correlated-formalism-for-second-order-single-particle-green-s-function-1708.06474"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-tunnelling-and-asymmetry-for-system-bath-models-of-electron-transfer-1708.06702</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-tunnelling-and-asymmetry-for-system-bath-models-of-electron-transfer-1708.06702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-tunnelling-and-asymmetry-for-system-bath-models-of-electron-transfer-1708.06702"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-interpretation-of-warburg-s-impedance-in-electrolytic-cells-1708.07158</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-interpretation-of-warburg-s-impedance-in-electrolytic-cells-1708.07158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-interpretation-of-warburg-s-impedance-in-electrolytic-cells-1708.07158"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-dependence-of-strong-field-enhanced-ionization-in-d-2-o-1708.07214</loc><lastmod>2017-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-dependence-of-strong-field-enhanced-ionization-in-d-2-o-1708.07214"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-dependence-of-strong-field-enhanced-ionization-in-d-2-o-1708.07214"/></url>
<url><loc>https://scifaro.com/en/abs/oxidation-of-clofibric-acid-in-aqueous-solution-using-a-non-thermal-plasma-discharge-or-gamma-radiation-1708.07483</loc><lastmod>2017-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oxidation-of-clofibric-acid-in-aqueous-solution-using-a-non-thermal-plasma-discharge-or-gamma-radiation-1708.07483"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oxidation-of-clofibric-acid-in-aqueous-solution-using-a-non-thermal-plasma-discharge-or-gamma-radiation-1708.07483"/></url>
<url><loc>https://scifaro.com/en/abs/cheap-and-near-exact-casscf-with-large-active-spaces-1708.07544</loc><lastmod>2018-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cheap-and-near-exact-casscf-with-large-active-spaces-1708.07544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cheap-and-near-exact-casscf-with-large-active-spaces-1708.07544"/></url>
<url><loc>https://scifaro.com/en/abs/benchmarks-and-reliable-dft-results-for-spin-crossover-complexes-1708.08425</loc><lastmod>2017-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarks-and-reliable-dft-results-for-spin-crossover-complexes-1708.08425"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarks-and-reliable-dft-results-for-spin-crossover-complexes-1708.08425"/></url>
<url><loc>https://scifaro.com/en/abs/exact-time-dependent-exchange-correlation-potential-in-electron-scattering-processes-1708.08651</loc><lastmod>2018-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-time-dependent-exchange-correlation-potential-in-electron-scattering-processes-1708.08651"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-time-dependent-exchange-correlation-potential-in-electron-scattering-processes-1708.08651"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-relaxation-at-a-metal-surface-electronic-friction-versus-classical-master-equations-1708.08859</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-relaxation-at-a-metal-surface-electronic-friction-versus-classical-master-equations-1708.08859"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-relaxation-at-a-metal-surface-electronic-friction-versus-classical-master-equations-1708.08859"/></url>
<url><loc>https://scifaro.com/en/abs/how-can-we-distinguish-positive-cooperativity-from-auto-catalysis-in-enzyme-kinetics-1708.09209</loc><lastmod>2019-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-can-we-distinguish-positive-cooperativity-from-auto-catalysis-in-enzyme-kinetics-1708.09209"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-can-we-distinguish-positive-cooperativity-from-auto-catalysis-in-enzyme-kinetics-1708.09209"/></url>
<url><loc>https://scifaro.com/en/abs/adsorption-energies-of-benzene-on-close-packed-transition-metal-surfaces-using-the-random-phase-approximation-1708.09225</loc><lastmod>2017-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adsorption-energies-of-benzene-on-close-packed-transition-metal-surfaces-using-the-random-phase-approximation-1708.09225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adsorption-energies-of-benzene-on-close-packed-transition-metal-surfaces-using-the-random-phase-approximation-1708.09225"/></url>
<url><loc>https://scifaro.com/en/abs/computer-modeling-of-halogen-bonds-and-other-sigma-hole-interactions-1708.09244</loc><lastmod>2017-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computer-modeling-of-halogen-bonds-and-other-sigma-hole-interactions-1708.09244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computer-modeling-of-halogen-bonds-and-other-sigma-hole-interactions-1708.09244"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-path-averaging-characterizing-the-structural-response-of-the-dna-double-helix-to-electron-transfer-1708.09336</loc><lastmod>2017-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-path-averaging-characterizing-the-structural-response-of-the-dna-double-helix-to-electron-transfer-1708.09336"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-path-averaging-characterizing-the-structural-response-of-the-dna-double-helix-to-electron-transfer-1708.09336"/></url>
<url><loc>https://scifaro.com/en/abs/multi-state-effective-hamiltonian-and-size-consistency-corrections-in-stochastic-configuration-interactions-1708.09498</loc><lastmod>2017-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-state-effective-hamiltonian-and-size-consistency-corrections-in-stochastic-configuration-interactions-1708.09498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-state-effective-hamiltonian-and-size-consistency-corrections-in-stochastic-configuration-interactions-1708.09498"/></url>
<url><loc>https://scifaro.com/en/abs/crystallization-in-melts-and-poor-solvent-solutions-of-semiflexible-polymers-extensive-dpd-study-1708.09499</loc><lastmod>2020-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crystallization-in-melts-and-poor-solvent-solutions-of-semiflexible-polymers-extensive-dpd-study-1708.09499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crystallization-in-melts-and-poor-solvent-solutions-of-semiflexible-polymers-extensive-dpd-study-1708.09499"/></url>
<url><loc>https://scifaro.com/en/abs/electrode-reactions-in-slowly-relaxing-media-1708.09566</loc><lastmod>2017-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrode-reactions-in-slowly-relaxing-media-1708.09566"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrode-reactions-in-slowly-relaxing-media-1708.09566"/></url>
<url><loc>https://scifaro.com/en/abs/the-effect-of-site-specific-spectral-densities-on-the-high-dimensional-exciton-vibrational-dynamics-in-the-fmo-complex-1708.09602</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effect-of-site-specific-spectral-densities-on-the-high-dimensional-exciton-vibrational-dynamics-in-the-fmo-complex-1708.09602"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effect-of-site-specific-spectral-densities-on-the-high-dimensional-exciton-vibrational-dynamics-in-the-fmo-complex-1708.09602"/></url>
<url><loc>https://scifaro.com/en/abs/dissociating-diatomic-molecules-in-ultrafast-and-intense-light-1708.09615</loc><lastmod>2018-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociating-diatomic-molecules-in-ultrafast-and-intense-light-1708.09615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociating-diatomic-molecules-in-ultrafast-and-intense-light-1708.09615"/></url>
<url><loc>https://scifaro.com/en/abs/light-adaptation-in-phycobilisome-antennas-influence-on-the-rod-length-and-structural-arrangement-1708.09788</loc><lastmod>2022-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/light-adaptation-in-phycobilisome-antennas-influence-on-the-rod-length-and-structural-arrangement-1708.09788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/light-adaptation-in-phycobilisome-antennas-influence-on-the-rod-length-and-structural-arrangement-1708.09788"/></url>
<url><loc>https://scifaro.com/en/abs/size-consistent-excited-states-via-algorithmic-transformations-between-variational-principles-1708.09805</loc><lastmod>2017-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-consistent-excited-states-via-algorithmic-transformations-between-variational-principles-1708.09805"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-consistent-excited-states-via-algorithmic-transformations-between-variational-principles-1708.09805"/></url>
<url><loc>https://scifaro.com/en/abs/unravelling-coherences-in-the-fmo-complex-1709.00318</loc><lastmod>2017-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unravelling-coherences-in-the-fmo-complex-1709.00318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unravelling-coherences-in-the-fmo-complex-1709.00318"/></url>
<url><loc>https://scifaro.com/en/abs/rapid-green-biosynthesis-of-silvermontmorillonite-nanocomposite-using-water-extract-of-satureja-hortensis-l-and-evaluation-of-the-antibacterial-properties-1709.00754</loc><lastmod>2017-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rapid-green-biosynthesis-of-silvermontmorillonite-nanocomposite-using-water-extract-of-satureja-hortensis-l-and-evaluation-of-the-antibacterial-properties-1709.00754"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rapid-green-biosynthesis-of-silvermontmorillonite-nanocomposite-using-water-extract-of-satureja-hortensis-l-and-evaluation-of-the-antibacterial-properties-1709.00754"/></url>
<url><loc>https://scifaro.com/en/abs/generalization-of-brillouin-theorem-for-the-non-relativistic-electronic-schr-odinger-equation-in-relation-to-coupling-strength-parameter-and-its-consequences-in-single-determinant-basis-sets-for-configuration-interactions-1709.01137</loc><lastmod>2017-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalization-of-brillouin-theorem-for-the-non-relativistic-electronic-schr-odinger-equation-in-relation-to-coupling-strength-parameter-and-its-consequences-in-single-determinant-basis-sets-for-configuration-interactions-1709.01137"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalization-of-brillouin-theorem-for-the-non-relativistic-electronic-schr-odinger-equation-in-relation-to-coupling-strength-parameter-and-its-consequences-in-single-determinant-basis-sets-for-configuration-interactions-1709.01137"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-development-on-the-isosteric-heat-of-adsorption-and-experimental-confirmation-1709.01723</loc><lastmod>2017-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-development-on-the-isosteric-heat-of-adsorption-and-experimental-confirmation-1709.01723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-development-on-the-isosteric-heat-of-adsorption-and-experimental-confirmation-1709.01723"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-concerted-and-stepwise-multiple-dechlorination-reactions-of-perchlorethylene-in-electron-ionization-mass-spectrometry-according-to-measured-chlorine-isotope-effects-1709.01739</loc><lastmod>2017-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-concerted-and-stepwise-multiple-dechlorination-reactions-of-perchlorethylene-in-electron-ionization-mass-spectrometry-according-to-measured-chlorine-isotope-effects-1709.01739"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-concerted-and-stepwise-multiple-dechlorination-reactions-of-perchlorethylene-in-electron-ionization-mass-spectrometry-according-to-measured-chlorine-isotope-effects-1709.01739"/></url>
<url><loc>https://scifaro.com/en/abs/tetrathiafulvalene-radical-cation-ttf-charge-transfer-aggregates-included-in-pmma-matrix-a-resonance-raman-study-1709.01823</loc><lastmod>2017-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tetrathiafulvalene-radical-cation-ttf-charge-transfer-aggregates-included-in-pmma-matrix-a-resonance-raman-study-1709.01823"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tetrathiafulvalene-radical-cation-ttf-charge-transfer-aggregates-included-in-pmma-matrix-a-resonance-raman-study-1709.01823"/></url>
<url><loc>https://scifaro.com/en/abs/excitonic-coupled-cluster-theory-1709.01966</loc><lastmod>2019-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitonic-coupled-cluster-theory-1709.01966"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitonic-coupled-cluster-theory-1709.01966"/></url>
<url><loc>https://scifaro.com/en/abs/systematically-improvable-excitonic-hamiltonians-for-electronic-structure-theory-1709.01969</loc><lastmod>2019-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematically-improvable-excitonic-hamiltonians-for-electronic-structure-theory-1709.01969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematically-improvable-excitonic-hamiltonians-for-electronic-structure-theory-1709.01969"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-of-the-simplest-criegee-intermediate-reaction-with-ozone-studied-by-mid-infrared-quantum-cascade-laser-spectrometer-1709.02042</loc><lastmod>2020-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-of-the-simplest-criegee-intermediate-reaction-with-ozone-studied-by-mid-infrared-quantum-cascade-laser-spectrometer-1709.02042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-of-the-simplest-criegee-intermediate-reaction-with-ozone-studied-by-mid-infrared-quantum-cascade-laser-spectrometer-1709.02042"/></url>
<url><loc>https://scifaro.com/en/abs/halogen-bonding-in-nucleic-acid-complexes-1709.02231</loc><lastmod>2017-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/halogen-bonding-in-nucleic-acid-complexes-1709.02231"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/halogen-bonding-in-nucleic-acid-complexes-1709.02231"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-and-characterization-of-ni0-nps-immobilized-on-acid-activated-montmorillonite-ni-deg-mont-as-an-efficient-and-reusable-heterogeneous-catalyst-for-one-pot-synthesis-of-biscoumarins-under-microwave-irradiation-1709.02248</loc><lastmod>2017-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-and-characterization-of-ni0-nps-immobilized-on-acid-activated-montmorillonite-ni-deg-mont-as-an-efficient-and-reusable-heterogeneous-catalyst-for-one-pot-synthesis-of-biscoumarins-under-microwave-irradiation-1709.02248"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-and-characterization-of-ni0-nps-immobilized-on-acid-activated-montmorillonite-ni-deg-mont-as-an-efficient-and-reusable-heterogeneous-catalyst-for-one-pot-synthesis-of-biscoumarins-under-microwave-irradiation-1709.02248"/></url>
<url><loc>https://scifaro.com/en/abs/context-driven-exploration-of-complex-chemical-reaction-networks-1709.02479</loc><lastmod>2017-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/context-driven-exploration-of-complex-chemical-reaction-networks-1709.02479"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/context-driven-exploration-of-complex-chemical-reaction-networks-1709.02479"/></url>
<url><loc>https://scifaro.com/en/abs/simultaneous-deep-tunneling-and-classical-hopping-for-hydrogen-diffusion-on-metals-1709.02752</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simultaneous-deep-tunneling-and-classical-hopping-for-hydrogen-diffusion-on-metals-1709.02752"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simultaneous-deep-tunneling-and-classical-hopping-for-hydrogen-diffusion-on-metals-1709.02752"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-quantification-of-the-dissolved-hydroxyl-radicals-in-the-plasma-liquid-system-using-the-molecular-probe-method-1709.02801</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-quantification-of-the-dissolved-hydroxyl-radicals-in-the-plasma-liquid-system-using-the-molecular-probe-method-1709.02801"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-quantification-of-the-dissolved-hydroxyl-radicals-in-the-plasma-liquid-system-using-the-molecular-probe-method-1709.02801"/></url>
<url><loc>https://scifaro.com/en/abs/three-dimensional-solid-state-lithium-ion-batteries-fabricated-via-conformal-vapor-phase-chemistry-1709.02918</loc><lastmod>2017-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/three-dimensional-solid-state-lithium-ion-batteries-fabricated-via-conformal-vapor-phase-chemistry-1709.02918"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/three-dimensional-solid-state-lithium-ion-batteries-fabricated-via-conformal-vapor-phase-chemistry-1709.02918"/></url>
<url><loc>https://scifaro.com/en/abs/fundamentals-of-ion-mobility-spectrometry-1709.02953</loc><lastmod>2018-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fundamentals-of-ion-mobility-spectrometry-1709.02953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fundamentals-of-ion-mobility-spectrometry-1709.02953"/></url>
<url><loc>https://scifaro.com/en/abs/simple-theory-of-ionic-activity-in-concentrated-electrolytes-1709.03106</loc><lastmod>2017-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-theory-of-ionic-activity-in-concentrated-electrolytes-1709.03106"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-theory-of-ionic-activity-in-concentrated-electrolytes-1709.03106"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-evaluation-of-coulomb-integrals-for-one-two-and-three-electron-distance-operators-r-c1-n-r-d1-m-r-c1-n-r-12-m-and-r-12-n-r-13-m-with-n-m-0-1-2-1709.03378</loc><lastmod>2017-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-evaluation-of-coulomb-integrals-for-one-two-and-three-electron-distance-operators-r-c1-n-r-d1-m-r-c1-n-r-12-m-and-r-12-n-r-13-m-with-n-m-0-1-2-1709.03378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-evaluation-of-coulomb-integrals-for-one-two-and-three-electron-distance-operators-r-c1-n-r-d1-m-r-c1-n-r-12-m-and-r-12-n-r-13-m-with-n-m-0-1-2-1709.03378"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-carbon-monoxide-photolysis-and-heme-spin-crossover-in-myoglobin-via-nonadiabatic-quantum-dynamics-1709.03402</loc><lastmod>2018-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-carbon-monoxide-photolysis-and-heme-spin-crossover-in-myoglobin-via-nonadiabatic-quantum-dynamics-1709.03402"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-carbon-monoxide-photolysis-and-heme-spin-crossover-in-myoglobin-via-nonadiabatic-quantum-dynamics-1709.03402"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-accuracy-from-small-system-adapted-basis-functions-1709.03460</loc><lastmod>2018-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-accuracy-from-small-system-adapted-basis-functions-1709.03460"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-accuracy-from-small-system-adapted-basis-functions-1709.03460"/></url>
<url><loc>https://scifaro.com/en/abs/a-2d-ir-study-of-isotope-edited-variants-of-the-elastin-like-gvgvpgvg-peptide-and-the-size-dependent-behavior-of-vpgvg-n-1709.03564</loc><lastmod>2017-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-2d-ir-study-of-isotope-edited-variants-of-the-elastin-like-gvgvpgvg-peptide-and-the-size-dependent-behavior-of-vpgvg-n-1709.03564"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-2d-ir-study-of-isotope-edited-variants-of-the-elastin-like-gvgvpgvg-peptide-and-the-size-dependent-behavior-of-vpgvg-n-1709.03564"/></url>
<url><loc>https://scifaro.com/en/abs/the-aug-cc-pvnz-f12-basis-set-family-correlation-consistent-basis-sets-for-explicitly-correlated-benchmark-calculations-on-anions-and-noncovalent-complexes-1709.03774</loc><lastmod>2017-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-aug-cc-pvnz-f12-basis-set-family-correlation-consistent-basis-sets-for-explicitly-correlated-benchmark-calculations-on-anions-and-noncovalent-complexes-1709.03774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-aug-cc-pvnz-f12-basis-set-family-correlation-consistent-basis-sets-for-explicitly-correlated-benchmark-calculations-on-anions-and-noncovalent-complexes-1709.03774"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-acoustic-relaxation-absorption-in-gas-mixtures-for-extraction-of-composition-relaxation-contributions-1709.03795</loc><lastmod>2017-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-acoustic-relaxation-absorption-in-gas-mixtures-for-extraction-of-composition-relaxation-contributions-1709.03795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-acoustic-relaxation-absorption-in-gas-mixtures-for-extraction-of-composition-relaxation-contributions-1709.03795"/></url>
<url><loc>https://scifaro.com/en/abs/what-makes-a-good-descriptor-for-heterogeneous-ice-nucleation-on-oh-patterned-surfaces-1709.03852</loc><lastmod>2017-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/what-makes-a-good-descriptor-for-heterogeneous-ice-nucleation-on-oh-patterned-surfaces-1709.03852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/what-makes-a-good-descriptor-for-heterogeneous-ice-nucleation-on-oh-patterned-surfaces-1709.03852"/></url>
<url><loc>https://scifaro.com/en/abs/full-dimensional-treatment-of-short-time-vibronic-dynamics-in-molecular-high-harmonics-generation-process-in-methane-1709.03958</loc><lastmod>2017-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-dimensional-treatment-of-short-time-vibronic-dynamics-in-molecular-high-harmonics-generation-process-in-methane-1709.03958"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-dimensional-treatment-of-short-time-vibronic-dynamics-in-molecular-high-harmonics-generation-process-in-methane-1709.03958"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-impedance-imaging-via-the-distribution-of-diffusion-times-1709.04147</loc><lastmod>2018-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-impedance-imaging-via-the-distribution-of-diffusion-times-1709.04147"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-impedance-imaging-via-the-distribution-of-diffusion-times-1709.04147"/></url>
<url><loc>https://scifaro.com/en/abs/self-adaptive-tensor-network-states-with-multi-site-correlators-1709.04565</loc><lastmod>2017-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-adaptive-tensor-network-states-with-multi-site-correlators-1709.04565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-adaptive-tensor-network-states-with-multi-site-correlators-1709.04565"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-design-of-drug-carriers-for-zoledronate-guest-molecule-using-phosphonated-and-sulfonated-calix-4-arene-and-calix-4-resorcinarene-host-molecules-1709.04782</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-design-of-drug-carriers-for-zoledronate-guest-molecule-using-phosphonated-and-sulfonated-calix-4-arene-and-calix-4-resorcinarene-host-molecules-1709.04782"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-design-of-drug-carriers-for-zoledronate-guest-molecule-using-phosphonated-and-sulfonated-calix-4-arene-and-calix-4-resorcinarene-host-molecules-1709.04782"/></url>
<url><loc>https://scifaro.com/en/abs/water-nanoelectrolysis-a-simple-model-1709.04827</loc><lastmod>2019-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-nanoelectrolysis-a-simple-model-1709.04827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-nanoelectrolysis-a-simple-model-1709.04827"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-gradients-for-complete-active-space-pair-density-functional-theory-1709.04985</loc><lastmod>2017-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-gradients-for-complete-active-space-pair-density-functional-theory-1709.04985"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-gradients-for-complete-active-space-pair-density-functional-theory-1709.04985"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-voltammetry-in-charged-porous-media-1709.05073</loc><lastmod>2018-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-voltammetry-in-charged-porous-media-1709.05073"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-voltammetry-in-charged-porous-media-1709.05073"/></url>
<url><loc>https://scifaro.com/en/abs/how-accurate-is-density-functional-theory-at-predicting-dipole-moments-an-assessment-using-a-new-database-of-200-benchmark-values-1709.05075</loc><lastmod>2018-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-accurate-is-density-functional-theory-at-predicting-dipole-moments-an-assessment-using-a-new-database-of-200-benchmark-values-1709.05075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-accurate-is-density-functional-theory-at-predicting-dipole-moments-an-assessment-using-a-new-database-of-200-benchmark-values-1709.05075"/></url>
<url><loc>https://scifaro.com/en/abs/identification-of-ultrafast-photophysical-pathways-in-photoexcited-organic-heterojunctions-1709.05084</loc><lastmod>2017-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-of-ultrafast-photophysical-pathways-in-photoexcited-organic-heterojunctions-1709.05084"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-of-ultrafast-photophysical-pathways-in-photoexcited-organic-heterojunctions-1709.05084"/></url>
<url><loc>https://scifaro.com/en/abs/final-state-resolved-quantum-predissociation-dynamics-of-so2-c1b2-and-its-isotopomers-via-a-crossing-with-a-singlet-repulsive-state-1709.05452</loc><lastmod>2017-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/final-state-resolved-quantum-predissociation-dynamics-of-so2-c1b2-and-its-isotopomers-via-a-crossing-with-a-singlet-repulsive-state-1709.05452"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/final-state-resolved-quantum-predissociation-dynamics-of-so2-c1b2-and-its-isotopomers-via-a-crossing-with-a-singlet-repulsive-state-1709.05452"/></url>
<url><loc>https://scifaro.com/en/abs/modified-bloch-equation-based-on-fractal-derivative-for-analyzing-pfg-anomalous-diffusion-1709.05578</loc><lastmod>2017-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modified-bloch-equation-based-on-fractal-derivative-for-analyzing-pfg-anomalous-diffusion-1709.05578"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modified-bloch-equation-based-on-fractal-derivative-for-analyzing-pfg-anomalous-diffusion-1709.05578"/></url>
<url><loc>https://scifaro.com/en/abs/virtual-molecular-dynamics-1709.05609</loc><lastmod>2017-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/virtual-molecular-dynamics-1709.05609"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/virtual-molecular-dynamics-1709.05609"/></url>
<url><loc>https://scifaro.com/en/abs/a-reversible-numerical-integrator-of-the-isokinetic-equations-of-motion-1709.05636</loc><lastmod>2018-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-reversible-numerical-integrator-of-the-isokinetic-equations-of-motion-1709.05636"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-reversible-numerical-integrator-of-the-isokinetic-equations-of-motion-1709.05636"/></url>
<url><loc>https://scifaro.com/en/abs/adsorption-of-the-astatine-species-on-gold-surface-a-relativistic-density-functional-theory-study-1709.05704</loc><lastmod>2017-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adsorption-of-the-astatine-species-on-gold-surface-a-relativistic-density-functional-theory-study-1709.05704"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adsorption-of-the-astatine-species-on-gold-surface-a-relativistic-density-functional-theory-study-1709.05704"/></url>
<url><loc>https://scifaro.com/en/abs/decoding-the-spectroscopic-features-and-timescales-of-aqueous-proton-defects-1709.05740</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decoding-the-spectroscopic-features-and-timescales-of-aqueous-proton-defects-1709.05740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decoding-the-spectroscopic-features-and-timescales-of-aqueous-proton-defects-1709.05740"/></url>
<url><loc>https://scifaro.com/en/abs/genetic-fitting-techniques-for-precision-ultracold-spectroscopy-1709.06152</loc><lastmod>2017-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/genetic-fitting-techniques-for-precision-ultracold-spectroscopy-1709.06152"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/genetic-fitting-techniques-for-precision-ultracold-spectroscopy-1709.06152"/></url>
<url><loc>https://scifaro.com/en/abs/x-ray-emission-spectrum-of-liquid-ethanol-origin-of-split-peaks-1709.06184</loc><lastmod>2017-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/x-ray-emission-spectrum-of-liquid-ethanol-origin-of-split-peaks-1709.06184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/x-ray-emission-spectrum-of-liquid-ethanol-origin-of-split-peaks-1709.06184"/></url>
<url><loc>https://scifaro.com/en/abs/spectraplot-com-integrated-spectroscopic-modeling-of-atomic-and-molecular-gases-1709.06220</loc><lastmod>2017-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectraplot-com-integrated-spectroscopic-modeling-of-atomic-and-molecular-gases-1709.06220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectraplot-com-integrated-spectroscopic-modeling-of-atomic-and-molecular-gases-1709.06220"/></url>
<url><loc>https://scifaro.com/en/abs/accelerated-sampling-by-infinite-swapping-of-path-integral-molecular-dynamics-with-surface-hopping-1709.06424</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerated-sampling-by-infinite-swapping-of-path-integral-molecular-dynamics-with-surface-hopping-1709.06424"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerated-sampling-by-infinite-swapping-of-path-integral-molecular-dynamics-with-surface-hopping-1709.06424"/></url>
<url><loc>https://scifaro.com/en/abs/the-octet-rule-in-chemical-space-generating-virtual-molecules-1709.06746</loc><lastmod>2017-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-octet-rule-in-chemical-space-generating-virtual-molecules-1709.06746"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-octet-rule-in-chemical-space-generating-virtual-molecules-1709.06746"/></url>
<url><loc>https://scifaro.com/en/abs/fluorescence-spectroscopy-enhancement-on-photonic-nanoantennas-1709.06749</loc><lastmod>2017-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fluorescence-spectroscopy-enhancement-on-photonic-nanoantennas-1709.06749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fluorescence-spectroscopy-enhancement-on-photonic-nanoantennas-1709.06749"/></url>
<url><loc>https://scifaro.com/en/abs/the-saturated-and-supercritical-stirling-cycle-thermodynamic-heat-engine-cycle-1709.06852</loc><lastmod>2018-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-saturated-and-supercritical-stirling-cycle-thermodynamic-heat-engine-cycle-1709.06852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-saturated-and-supercritical-stirling-cycle-thermodynamic-heat-engine-cycle-1709.06852"/></url>
<url><loc>https://scifaro.com/en/abs/on-excited-state-reaction-path-in-reversibly-switchable-fluorescent-proteins-1709.06911</loc><lastmod>2017-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-excited-state-reaction-path-in-reversibly-switchable-fluorescent-proteins-1709.06911"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-excited-state-reaction-path-in-reversibly-switchable-fluorescent-proteins-1709.06911"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-on-the-double-morse-potential-a-paradigm-for-roaming-reactions-with-no-saddle-points-1709.06973</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-on-the-double-morse-potential-a-paradigm-for-roaming-reactions-with-no-saddle-points-1709.06973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-on-the-double-morse-potential-a-paradigm-for-roaming-reactions-with-no-saddle-points-1709.06973"/></url>
<url><loc>https://scifaro.com/en/abs/a-qm-mm-equation-of-motion-coupled-cluster-approach-for-predicting-semiconductor-color-center-structure-and-emission-frequencies-1709.07075</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-qm-mm-equation-of-motion-coupled-cluster-approach-for-predicting-semiconductor-color-center-structure-and-emission-frequencies-1709.07075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-qm-mm-equation-of-motion-coupled-cluster-approach-for-predicting-semiconductor-color-center-structure-and-emission-frequencies-1709.07075"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-of-molecular-properties-locality-and-active-learning-1709.07082</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-of-molecular-properties-locality-and-active-learning-1709.07082"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-of-molecular-properties-locality-and-active-learning-1709.07082"/></url>
<url><loc>https://scifaro.com/en/abs/a-mathematical-aspect-of-hohenberg-kohn-theorem-1709.07118</loc><lastmod>2017-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mathematical-aspect-of-hohenberg-kohn-theorem-1709.07118"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mathematical-aspect-of-hohenberg-kohn-theorem-1709.07118"/></url>
<url><loc>https://scifaro.com/en/abs/eigenvalue-equations-from-the-field-of-theoretical-chemistry-and-correlation-calculations-1709.07352</loc><lastmod>2017-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eigenvalue-equations-from-the-field-of-theoretical-chemistry-and-correlation-calculations-1709.07352"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eigenvalue-equations-from-the-field-of-theoretical-chemistry-and-correlation-calculations-1709.07352"/></url>
<url><loc>https://scifaro.com/en/abs/high-accuracy-calculations-of-the-rotation-vibration-spectrum-of-h-3-1709.07391</loc><lastmod>2017-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-accuracy-calculations-of-the-rotation-vibration-spectrum-of-h-3-1709.07391"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-accuracy-calculations-of-the-rotation-vibration-spectrum-of-h-3-1709.07391"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-semiclassical-dynamics-in-the-mixed-quantum-classical-initial-value-representation-1709.07474</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-semiclassical-dynamics-in-the-mixed-quantum-classical-initial-value-representation-1709.07474"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-semiclassical-dynamics-in-the-mixed-quantum-classical-initial-value-representation-1709.07474"/></url>
<url><loc>https://scifaro.com/en/abs/combining-the-ensemble-and-franck-condon-approaches-for-spectral-shapes-of-molecules-in-solution-1709.07490</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-the-ensemble-and-franck-condon-approaches-for-spectral-shapes-of-molecules-in-solution-1709.07490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-the-ensemble-and-franck-condon-approaches-for-spectral-shapes-of-molecules-in-solution-1709.07490"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-mean-force-and-anharmonicity-in-polycrystalline-and-amorphous-ice-1709.07648</loc><lastmod>2017-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-mean-force-and-anharmonicity-in-polycrystalline-and-amorphous-ice-1709.07648"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-mean-force-and-anharmonicity-in-polycrystalline-and-amorphous-ice-1709.07648"/></url>
<url><loc>https://scifaro.com/en/abs/a-co-ii-based-molecular-magnet-with-a-6-t-coercive-field-1709.07697</loc><lastmod>2017-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-co-ii-based-molecular-magnet-with-a-6-t-coercive-field-1709.07697"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-co-ii-based-molecular-magnet-with-a-6-t-coercive-field-1709.07697"/></url>
<url><loc>https://scifaro.com/en/abs/note-a-pairwise-form-of-the-ewald-sum-for-non-neutral-systems-1709.07753</loc><lastmod>2017-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/note-a-pairwise-form-of-the-ewald-sum-for-non-neutral-systems-1709.07753"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/note-a-pairwise-form-of-the-ewald-sum-for-non-neutral-systems-1709.07753"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-vibrational-damping-of-molecular-adsorbates-insights-into-electronic-friction-and-the-role-of-electronic-coherence-1709.08003</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-vibrational-damping-of-molecular-adsorbates-insights-into-electronic-friction-and-the-role-of-electronic-coherence-1709.08003"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-vibrational-damping-of-molecular-adsorbates-insights-into-electronic-friction-and-the-role-of-electronic-coherence-1709.08003"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-excited-state-energy-gaps-with-time-dependent-density-functional-theory-on-ru-ii-complexes-1709.08052</loc><lastmod>2017-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-excited-state-energy-gaps-with-time-dependent-density-functional-theory-on-ru-ii-complexes-1709.08052"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-excited-state-energy-gaps-with-time-dependent-density-functional-theory-on-ru-ii-complexes-1709.08052"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-grid-basis-set-discretizations-of-the-schr-odinger-equation-1709.08059</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-grid-basis-set-discretizations-of-the-schr-odinger-equation-1709.08059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-grid-basis-set-discretizations-of-the-schr-odinger-equation-1709.08059"/></url>
<url><loc>https://scifaro.com/en/abs/non-iterative-triples-excitations-in-equation-of-motion-coupled-cluster-theory-for-electron-attachment-with-applications-to-bound-and-temporary-anions-1709.08358</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-iterative-triples-excitations-in-equation-of-motion-coupled-cluster-theory-for-electron-attachment-with-applications-to-bound-and-temporary-anions-1709.08358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-iterative-triples-excitations-in-equation-of-motion-coupled-cluster-theory-for-electron-attachment-with-applications-to-bound-and-temporary-anions-1709.08358"/></url>
<url><loc>https://scifaro.com/en/abs/general-variational-approach-to-nuclear-quadrupole-coupling-in-rovibrational-spectra-of-polyatomic-molecules-1709.08558</loc><lastmod>2017-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-variational-approach-to-nuclear-quadrupole-coupling-in-rovibrational-spectra-of-polyatomic-molecules-1709.08558"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-variational-approach-to-nuclear-quadrupole-coupling-in-rovibrational-spectra-of-polyatomic-molecules-1709.08558"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-motor-or-molecular-clock-a-question-of-load-1709.09054</loc><lastmod>2022-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-motor-or-molecular-clock-a-question-of-load-1709.09054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-motor-or-molecular-clock-a-question-of-load-1709.09054"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-capacitance-of-co-terminated-pt-111-is-dominated-by-co-solvent-gap-1709.09210</loc><lastmod>2017-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-capacitance-of-co-terminated-pt-111-is-dominated-by-co-solvent-gap-1709.09210"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-capacitance-of-co-terminated-pt-111-is-dominated-by-co-solvent-gap-1709.09210"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-mechanics-coarse-grained-molecular-mechanics-qm-cg-mm-1709.09771</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-mechanics-coarse-grained-molecular-mechanics-qm-cg-mm-1709.09771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-mechanics-coarse-grained-molecular-mechanics-qm-cg-mm-1709.09771"/></url>
<url><loc>https://scifaro.com/en/abs/direct-optical-visualization-of-water-transport-across-polymer-nano-films-1709.09824</loc><lastmod>2017-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-optical-visualization-of-water-transport-across-polymer-nano-films-1709.09824"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-optical-visualization-of-water-transport-across-polymer-nano-films-1709.09824"/></url>
<url><loc>https://scifaro.com/en/abs/bridge-functional-for-the-molecular-density-functional-theory-with-consistent-pressure-and-surface-tension-and-its-importance-for-solvation-in-water-1709.10139</loc><lastmod>2017-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bridge-functional-for-the-molecular-density-functional-theory-with-consistent-pressure-and-surface-tension-and-its-importance-for-solvation-in-water-1709.10139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bridge-functional-for-the-molecular-density-functional-theory-with-consistent-pressure-and-surface-tension-and-its-importance-for-solvation-in-water-1709.10139"/></url>
<url><loc>https://scifaro.com/en/abs/exact-density-functional-obtained-via-the-levy-constrained-search-1709.10284</loc><lastmod>2017-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-density-functional-obtained-via-the-levy-constrained-search-1709.10284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-density-functional-obtained-via-the-levy-constrained-search-1709.10284"/></url>
<url><loc>https://scifaro.com/en/abs/uniform-magnetic-fields-in-density-functional-theory-1709.10400</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uniform-magnetic-fields-in-density-functional-theory-1709.10400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uniform-magnetic-fields-in-density-functional-theory-1709.10400"/></url>
<url><loc>https://scifaro.com/en/abs/one-step-treatment-of-spin-orbit-coupling-and-electron-correlation-in-large-active-spaces-1710.00259</loc><lastmod>2018-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/one-step-treatment-of-spin-orbit-coupling-and-electron-correlation-in-large-active-spaces-1710.00259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/one-step-treatment-of-spin-orbit-coupling-and-electron-correlation-in-large-active-spaces-1710.00259"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transport-through-a-single-molecule-of-trans-1-bis-diazofluorene-60-fullerene-1710.00353</loc><lastmod>2017-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transport-through-a-single-molecule-of-trans-1-bis-diazofluorene-60-fullerene-1710.00353"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transport-through-a-single-molecule-of-trans-1-bis-diazofluorene-60-fullerene-1710.00353"/></url>
<url><loc>https://scifaro.com/en/abs/chemts-an-efficient-python-library-for-de-novo-molecular-generation-1710.00616</loc><lastmod>2018-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemts-an-efficient-python-library-for-de-novo-molecular-generation-1710.00616"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemts-an-efficient-python-library-for-de-novo-molecular-generation-1710.00616"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-magnetic-structure-of-density-matrices-1710.00932</loc><lastmod>2020-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-magnetic-structure-of-density-matrices-1710.00932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-magnetic-structure-of-density-matrices-1710.00932"/></url>
<url><loc>https://scifaro.com/en/abs/lowering-of-the-complexity-of-quantum-chemistry-methods-by-choice-of-representation-1710.01004</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lowering-of-the-complexity-of-quantum-chemistry-methods-by-choice-of-representation-1710.01004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lowering-of-the-complexity-of-quantum-chemistry-methods-by-choice-of-representation-1710.01004"/></url>
<url><loc>https://scifaro.com/en/abs/conformer-selection-by-matter-wave-interference-1710.01035</loc><lastmod>2018-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformer-selection-by-matter-wave-interference-1710.01035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformer-selection-by-matter-wave-interference-1710.01035"/></url>
<url><loc>https://scifaro.com/en/abs/multi-dimensional-tensor-network-simulation-of-open-quantum-dynamics-in-singlet-fission-1710.01362</loc><lastmod>2017-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-dimensional-tensor-network-simulation-of-open-quantum-dynamics-in-singlet-fission-1710.01362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-dimensional-tensor-network-simulation-of-open-quantum-dynamics-in-singlet-fission-1710.01362"/></url>
<url><loc>https://scifaro.com/en/abs/contribution-of-cellular-automata-to-the-understanding-of-corrosion-phenomena-1710.01545</loc><lastmod>2017-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/contribution-of-cellular-automata-to-the-understanding-of-corrosion-phenomena-1710.01545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/contribution-of-cellular-automata-to-the-understanding-of-corrosion-phenomena-1710.01545"/></url>
<url><loc>https://scifaro.com/en/abs/exploration-of-h2-binding-to-the-nife-hydrogenase-active-site-with-multiconfigurational-density-functional-theory-1710.01922</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploration-of-h2-binding-to-the-nife-hydrogenase-active-site-with-multiconfigurational-density-functional-theory-1710.01922"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploration-of-h2-binding-to-the-nife-hydrogenase-active-site-with-multiconfigurational-density-functional-theory-1710.01922"/></url>
<url><loc>https://scifaro.com/en/abs/solvatation-de-syst-emes-d-int-er-et-pharmaceutique-apports-de-la-th-eorie-de-la-fonctionnelle-de-la-densit-e-mol-eculaire-1710.01999</loc><lastmod>2017-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvatation-de-syst-emes-d-int-er-et-pharmaceutique-apports-de-la-th-eorie-de-la-fonctionnelle-de-la-densit-e-mol-eculaire-1710.01999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvatation-de-syst-emes-d-int-er-et-pharmaceutique-apports-de-la-th-eorie-de-la-fonctionnelle-de-la-densit-e-mol-eculaire-1710.01999"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-o2-ion-mobility-in-dense-ne-gas-at-low-temperature-influence-of-the-repulsive-part-of-the-ion-neutral-interaction-potential-1710.02009</loc><lastmod>2017-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-o2-ion-mobility-in-dense-ne-gas-at-low-temperature-influence-of-the-repulsive-part-of-the-ion-neutral-interaction-potential-1710.02009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-o2-ion-mobility-in-dense-ne-gas-at-low-temperature-influence-of-the-repulsive-part-of-the-ion-neutral-interaction-potential-1710.02009"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-analysis-of-sigma-holes-a-novel-complementary-view-on-halogen-bonding-1710.02202</loc><lastmod>2017-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-analysis-of-sigma-holes-a-novel-complementary-view-on-halogen-bonding-1710.02202"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-analysis-of-sigma-holes-a-novel-complementary-view-on-halogen-bonding-1710.02202"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-potential-of-mean-force-calculation-from-multiscale-simulations-solute-insertion-in-a-lipid-membrane-1710.02291</loc><lastmod>2017-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-potential-of-mean-force-calculation-from-multiscale-simulations-solute-insertion-in-a-lipid-membrane-1710.02291"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-potential-of-mean-force-calculation-from-multiscale-simulations-solute-insertion-in-a-lipid-membrane-1710.02291"/></url>
<url><loc>https://scifaro.com/en/abs/coulomb-explosion-imaging-of-concurrent-ch-2-bri-photodissociation-dynamics-1710.02372</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coulomb-explosion-imaging-of-concurrent-ch-2-bri-photodissociation-dynamics-1710.02372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coulomb-explosion-imaging-of-concurrent-ch-2-bri-photodissociation-dynamics-1710.02372"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-araki-sucher-correction-for-many-electron-systems-1710.02468</loc><lastmod>2017-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-araki-sucher-correction-for-many-electron-systems-1710.02468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-araki-sucher-correction-for-many-electron-systems-1710.02468"/></url>
<url><loc>https://scifaro.com/en/abs/long-run-in-operando-nmr-to-investigate-the-evolution-and-degradation-of-battery-cells-1710.02577</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-run-in-operando-nmr-to-investigate-the-evolution-and-degradation-of-battery-cells-1710.02577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-run-in-operando-nmr-to-investigate-the-evolution-and-degradation-of-battery-cells-1710.02577"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-and-electronic-repair-mechanism-of-sulfur-defects-in-mos-2-monolayers-1710.03191</loc><lastmod>2017-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-and-electronic-repair-mechanism-of-sulfur-defects-in-mos-2-monolayers-1710.03191"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-and-electronic-repair-mechanism-of-sulfur-defects-in-mos-2-monolayers-1710.03191"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-a-potential-energy-surface-by-machine-learning-for-characterizing-atomic-transport-1710.03468</loc><lastmod>2018-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-a-potential-energy-surface-by-machine-learning-for-characterizing-atomic-transport-1710.03468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-a-potential-energy-surface-by-machine-learning-for-characterizing-atomic-transport-1710.03468"/></url>
<url><loc>https://scifaro.com/en/abs/identifying-active-sites-of-the-water-gas-shift-reaction-over-titania-supported-platinum-catalysts-under-uncertainty-1710.03672</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identifying-active-sites-of-the-water-gas-shift-reaction-over-titania-supported-platinum-catalysts-under-uncertainty-1710.03672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identifying-active-sites-of-the-water-gas-shift-reaction-over-titania-supported-platinum-catalysts-under-uncertainty-1710.03672"/></url>
<url><loc>https://scifaro.com/en/abs/sampling-the-protonation-states-ph-dependent-uv-absorption-spectrum-of-a-polypeptide-dyad-1710.03684</loc><lastmod>2018-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sampling-the-protonation-states-ph-dependent-uv-absorption-spectrum-of-a-polypeptide-dyad-1710.03684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sampling-the-protonation-states-ph-dependent-uv-absorption-spectrum-of-a-polypeptide-dyad-1710.03684"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-accurate-exchange-correlation-functionals-through-adiabatic-connection-1710.03714</loc><lastmod>2017-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-accurate-exchange-correlation-functionals-through-adiabatic-connection-1710.03714"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-accurate-exchange-correlation-functionals-through-adiabatic-connection-1710.03714"/></url>
<url><loc>https://scifaro.com/en/abs/salient-signature-of-van-der-waals-interactions-1710.03715</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/salient-signature-of-van-der-waals-interactions-1710.03715"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/salient-signature-of-van-der-waals-interactions-1710.03715"/></url>
<url><loc>https://scifaro.com/en/abs/asymptotic-analysis-of-the-berry-curvature-in-the-e-otimes-e-jahn-teller-model-1710.04041</loc><lastmod>2017-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymptotic-analysis-of-the-berry-curvature-in-the-e-otimes-e-jahn-teller-model-1710.04041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymptotic-analysis-of-the-berry-curvature-in-the-e-otimes-e-jahn-teller-model-1710.04041"/></url>
<url><loc>https://scifaro.com/en/abs/ferrotoroidic-ground-state-in-a-heterometallic-cr-mathrm-iii-dy-mathrm-iii-6-complex-displaying-slow-magnetic-relaxation-1710.04082</loc><lastmod>2018-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ferrotoroidic-ground-state-in-a-heterometallic-cr-mathrm-iii-dy-mathrm-iii-6-complex-displaying-slow-magnetic-relaxation-1710.04082"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ferrotoroidic-ground-state-in-a-heterometallic-cr-mathrm-iii-dy-mathrm-iii-6-complex-displaying-slow-magnetic-relaxation-1710.04082"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-study-on-the-dihydrogen-bond-cooperativity-in-the-growth-behavior-of-dimethyl-sulfoxide-clusters-1710.04085</loc><lastmod>2017-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-study-on-the-dihydrogen-bond-cooperativity-in-the-growth-behavior-of-dimethyl-sulfoxide-clusters-1710.04085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-study-on-the-dihydrogen-bond-cooperativity-in-the-growth-behavior-of-dimethyl-sulfoxide-clusters-1710.04085"/></url>
<url><loc>https://scifaro.com/en/abs/path-integral-molecular-dynamics-for-exact-quantum-statistics-of-multi-electronic-state-systems-1710.04126</loc><lastmod>2017-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/path-integral-molecular-dynamics-for-exact-quantum-statistics-of-multi-electronic-state-systems-1710.04126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/path-integral-molecular-dynamics-for-exact-quantum-statistics-of-multi-electronic-state-systems-1710.04126"/></url>
<url><loc>https://scifaro.com/en/abs/constructing-grids-for-molecular-quantum-dynamics-using-an-autoencoder-1710.04535</loc><lastmod>2018-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/constructing-grids-for-molecular-quantum-dynamics-using-an-autoencoder-1710.04535"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/constructing-grids-for-molecular-quantum-dynamics-using-an-autoencoder-1710.04535"/></url>
<url><loc>https://scifaro.com/en/abs/decisive-role-of-nuclear-quantum-effects-on-surface-mediated-water-dissociation-at-finite-temperature-1710.04876</loc><lastmod>2017-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decisive-role-of-nuclear-quantum-effects-on-surface-mediated-water-dissociation-at-finite-temperature-1710.04876"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decisive-role-of-nuclear-quantum-effects-on-surface-mediated-water-dissociation-at-finite-temperature-1710.04876"/></url>
<url><loc>https://scifaro.com/en/abs/effective-polarisability-models-1710.04945</loc><lastmod>2019-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effective-polarisability-models-1710.04945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effective-polarisability-models-1710.04945"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-free-energy-theory-of-solvation-with-atomic-scale-liquid-structure-1710.05005</loc><lastmod>2017-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-free-energy-theory-of-solvation-with-atomic-scale-liquid-structure-1710.05005"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-free-energy-theory-of-solvation-with-atomic-scale-liquid-structure-1710.05005"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-pore-geometry-on-the-compressibility-of-a-confined-simple-fluid-1710.05220</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-pore-geometry-on-the-compressibility-of-a-confined-simple-fluid-1710.05220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-pore-geometry-on-the-compressibility-of-a-confined-simple-fluid-1710.05220"/></url>
<url><loc>https://scifaro.com/en/abs/probing-spatial-locality-in-ionic-liquids-with-the-grand-canonical-adaptive-resolution-molecular-dynamics-technique-1710.05593</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-spatial-locality-in-ionic-liquids-with-the-grand-canonical-adaptive-resolution-molecular-dynamics-technique-1710.05593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-spatial-locality-in-ionic-liquids-with-the-grand-canonical-adaptive-resolution-molecular-dynamics-technique-1710.05593"/></url>
<url><loc>https://scifaro.com/en/abs/non-covalent-interactions-across-organic-and-biological-subsets-of-chemical-space-physics-based-potentials-parametrized-from-machine-learning-1710.05871</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-covalent-interactions-across-organic-and-biological-subsets-of-chemical-space-physics-based-potentials-parametrized-from-machine-learning-1710.05871"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-covalent-interactions-across-organic-and-biological-subsets-of-chemical-space-physics-based-potentials-parametrized-from-machine-learning-1710.05871"/></url>
<url><loc>https://scifaro.com/en/abs/deorbitalization-strategies-for-meta-gga-exchange-correlation-functionals-1710.06032</loc><lastmod>2017-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deorbitalization-strategies-for-meta-gga-exchange-correlation-functionals-1710.06032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deorbitalization-strategies-for-meta-gga-exchange-correlation-functionals-1710.06032"/></url>
<url><loc>https://scifaro.com/en/abs/ultrathin-and-highly-passivating-silica-shells-for-luminescent-and-water-soluble-cdse-cds-nanorods-1710.06244</loc><lastmod>2017-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrathin-and-highly-passivating-silica-shells-for-luminescent-and-water-soluble-cdse-cds-nanorods-1710.06244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrathin-and-highly-passivating-silica-shells-for-luminescent-and-water-soluble-cdse-cds-nanorods-1710.06244"/></url>
<url><loc>https://scifaro.com/en/abs/transport-properties-of-methane-ethane-propane-and-n-butane-in-water-1710.06375</loc><lastmod>2017-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transport-properties-of-methane-ethane-propane-and-n-butane-in-water-1710.06375"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transport-properties-of-methane-ethane-propane-and-n-butane-in-water-1710.06375"/></url>
<url><loc>https://scifaro.com/en/abs/self-consistent-one-electron-equation-including-exchange-and-correlation-in-terms-of-equivalent-function-and-phase-norm-calculation-for-ground-and-excited-states-in-a-unified-way-1710.06603</loc><lastmod>2018-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-consistent-one-electron-equation-including-exchange-and-correlation-in-terms-of-equivalent-function-and-phase-norm-calculation-for-ground-and-excited-states-in-a-unified-way-1710.06603"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-consistent-one-electron-equation-including-exchange-and-correlation-in-terms-of-equivalent-function-and-phase-norm-calculation-for-ground-and-excited-states-in-a-unified-way-1710.06603"/></url>
<url><loc>https://scifaro.com/en/abs/development-and-characterization-of-a-laser-induced-acoustic-desorption-source-1710.06684</loc><lastmod>2018-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-and-characterization-of-a-laser-induced-acoustic-desorption-source-1710.06684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-and-characterization-of-a-laser-induced-acoustic-desorption-source-1710.06684"/></url>
<url><loc>https://scifaro.com/en/abs/dark-states-and-delocalization-competing-effects-of-quantum-coherence-on-the-efficiency-of-light-harvesting-systems-1710.06792</loc><lastmod>2022-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dark-states-and-delocalization-competing-effects-of-quantum-coherence-on-the-efficiency-of-light-harvesting-systems-1710.06792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dark-states-and-delocalization-competing-effects-of-quantum-coherence-on-the-efficiency-of-light-harvesting-systems-1710.06792"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-parity-nonconservation-in-nuclear-spin-couplings-1710.06819</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-parity-nonconservation-in-nuclear-spin-couplings-1710.06819"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-parity-nonconservation-in-nuclear-spin-couplings-1710.06819"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-and-vibrational-properties-of-v-2-c-based-mxenes-from-experiments-to-first-principles-modeling-1710.07062</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-and-vibrational-properties-of-v-2-c-based-mxenes-from-experiments-to-first-principles-modeling-1710.07062"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-and-vibrational-properties-of-v-2-c-based-mxenes-from-experiments-to-first-principles-modeling-1710.07062"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-generalization-of-the-kohn-sham-system-that-can-represent-arbitrary-one-electron-density-matrices-1710.07221</loc><lastmod>2017-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-generalization-of-the-kohn-sham-system-that-can-represent-arbitrary-one-electron-density-matrices-1710.07221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-generalization-of-the-kohn-sham-system-that-can-represent-arbitrary-one-electron-density-matrices-1710.07221"/></url>
<url><loc>https://scifaro.com/en/abs/guiding-chemical-synthesis-computational-prediction-of-the-regioselectivity-of-ch-functionalization-1710.07439</loc><lastmod>2017-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/guiding-chemical-synthesis-computational-prediction-of-the-regioselectivity-of-ch-functionalization-1710.07439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/guiding-chemical-synthesis-computational-prediction-of-the-regioselectivity-of-ch-functionalization-1710.07439"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-crystal-structure-magnetic-and-electronic-properties-of-the-caesium-based-transition-metal-halide-cs3fe2br9-1710.07514</loc><lastmod>2017-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-crystal-structure-magnetic-and-electronic-properties-of-the-caesium-based-transition-metal-halide-cs3fe2br9-1710.07514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-crystal-structure-magnetic-and-electronic-properties-of-the-caesium-based-transition-metal-halide-cs3fe2br9-1710.07514"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-the-leaving-group-on-the-dynamics-of-a-gas-phase-sn2-reaction-1710.07786</loc><lastmod>2017-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-the-leaving-group-on-the-dynamics-of-a-gas-phase-sn2-reaction-1710.07786"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-the-leaving-group-on-the-dynamics-of-a-gas-phase-sn2-reaction-1710.07786"/></url>
<url><loc>https://scifaro.com/en/abs/imaging-state-to-state-reactive-scattering-in-the-ar-h2-charge-transfer-reaction-1710.07790</loc><lastmod>2017-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-state-to-state-reactive-scattering-in-the-ar-h2-charge-transfer-reaction-1710.07790"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-state-to-state-reactive-scattering-in-the-ar-h2-charge-transfer-reaction-1710.07790"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-multi-scale-green-s-functions-reaction-dynamics-scheme-1710.07798</loc><lastmod>2017-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-multi-scale-green-s-functions-reaction-dynamics-scheme-1710.07798"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-multi-scale-green-s-functions-reaction-dynamics-scheme-1710.07798"/></url>
<url><loc>https://scifaro.com/en/abs/enzyme-kinetics-a-note-on-negative-reaction-constants-in-lineweaver-burk-plots-1710.08131</loc><lastmod>2017-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enzyme-kinetics-a-note-on-negative-reaction-constants-in-lineweaver-burk-plots-1710.08131"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enzyme-kinetics-a-note-on-negative-reaction-constants-in-lineweaver-burk-plots-1710.08131"/></url>
<url><loc>https://scifaro.com/en/abs/vanishing-mean-volume-velocity-in-isothermal-isobaric-diffusion-of-a-binary-fluid-mixture-1710.08134</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vanishing-mean-volume-velocity-in-isothermal-isobaric-diffusion-of-a-binary-fluid-mixture-1710.08134"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vanishing-mean-volume-velocity-in-isothermal-isobaric-diffusion-of-a-binary-fluid-mixture-1710.08134"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-bioaccumulation-using-molecular-theory-a-machine-learning-approach-1710.08174</loc><lastmod>2017-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-bioaccumulation-using-molecular-theory-a-machine-learning-approach-1710.08174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-bioaccumulation-using-molecular-theory-a-machine-learning-approach-1710.08174"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-relativistic-density-matrix-renormalization-group-implementation-in-a-matrix-product-formulation-1710.08301</loc><lastmod>2017-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-relativistic-density-matrix-renormalization-group-implementation-in-a-matrix-product-formulation-1710.08301"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-relativistic-density-matrix-renormalization-group-implementation-in-a-matrix-product-formulation-1710.08301"/></url>
<url><loc>https://scifaro.com/en/abs/topological-origins-of-bound-states-in-the-continuum-for-systems-with-conical-intersections-1710.08981</loc><lastmod>2018-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topological-origins-of-bound-states-in-the-continuum-for-systems-with-conical-intersections-1710.08981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topological-origins-of-bound-states-in-the-continuum-for-systems-with-conical-intersections-1710.08981"/></url>
<url><loc>https://scifaro.com/en/abs/gas-eruption-phenomenon-happening-from-ga-in-alloy-in-electrolyte-1710.08992</loc><lastmod>2017-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gas-eruption-phenomenon-happening-from-ga-in-alloy-in-electrolyte-1710.08992"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gas-eruption-phenomenon-happening-from-ga-in-alloy-in-electrolyte-1710.08992"/></url>
<url><loc>https://scifaro.com/en/abs/hartree-fock-symmetry-breaking-around-conical-intersections-1710.09036</loc><lastmod>2018-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hartree-fock-symmetry-breaking-around-conical-intersections-1710.09036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hartree-fock-symmetry-breaking-around-conical-intersections-1710.09036"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-wave-packet-dynamics-calculations-of-cross-sections-for-ultracold-scattering-of-molecules-1710.09057</loc><lastmod>2018-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-wave-packet-dynamics-calculations-of-cross-sections-for-ultracold-scattering-of-molecules-1710.09057"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-wave-packet-dynamics-calculations-of-cross-sections-for-ultracold-scattering-of-molecules-1710.09057"/></url>
<url><loc>https://scifaro.com/en/abs/potential-energy-surfaces-for-electron-dynamics-modeled-by-floating-and-breathing-gaussian-wave-packets-with-valence-bond-spin-coupling-an-analysis-of-high-harmonic-generation-spectrum-1710.09104</loc><lastmod>2018-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/potential-energy-surfaces-for-electron-dynamics-modeled-by-floating-and-breathing-gaussian-wave-packets-with-valence-bond-spin-coupling-an-analysis-of-high-harmonic-generation-spectrum-1710.09104"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/potential-energy-surfaces-for-electron-dynamics-modeled-by-floating-and-breathing-gaussian-wave-packets-with-valence-bond-spin-coupling-an-analysis-of-high-harmonic-generation-spectrum-1710.09104"/></url>
<url><loc>https://scifaro.com/en/abs/a-temperature-dependent-implicit-solvent-model-of-polyethylene-glycol-in-aqueous-solution-1710.09191</loc><lastmod>2017-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-temperature-dependent-implicit-solvent-model-of-polyethylene-glycol-in-aqueous-solution-1710.09191"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-temperature-dependent-implicit-solvent-model-of-polyethylene-glycol-in-aqueous-solution-1710.09191"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-simulations-of-electrolyte-structure-and-dynamics-in-lithium-sulfur-battery-solvents-1710.09221</loc><lastmod>2017-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-simulations-of-electrolyte-structure-and-dynamics-in-lithium-sulfur-battery-solvents-1710.09221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-simulations-of-electrolyte-structure-and-dynamics-in-lithium-sulfur-battery-solvents-1710.09221"/></url>
<url><loc>https://scifaro.com/en/abs/asymmetric-adsorption-in-an-open-electrolytic-cell-1710.09372</loc><lastmod>2017-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymmetric-adsorption-in-an-open-electrolytic-cell-1710.09372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymmetric-adsorption-in-an-open-electrolytic-cell-1710.09372"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-investigation-of-li-and-na-oxides-adsorption-on-tic-111-surface-for-metal-air-rechargeable-batteries-1710.09463</loc><lastmod>2018-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-investigation-of-li-and-na-oxides-adsorption-on-tic-111-surface-for-metal-air-rechargeable-batteries-1710.09463"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-investigation-of-li-and-na-oxides-adsorption-on-tic-111-surface-for-metal-air-rechargeable-batteries-1710.09463"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-silica-surfaces-on-the-structure-and-dynamics-of-room-temperature-ionic-liquids-a-molecular-dynamics-simulation-study-1710.09563</loc><lastmod>2017-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-silica-surfaces-on-the-structure-and-dynamics-of-room-temperature-ionic-liquids-a-molecular-dynamics-simulation-study-1710.09563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-silica-surfaces-on-the-structure-and-dynamics-of-room-temperature-ionic-liquids-a-molecular-dynamics-simulation-study-1710.09563"/></url>
<url><loc>https://scifaro.com/en/abs/endothermic-singlet-fission-does-not-proceed-via-an-excimer-intermediate-1710.09948</loc><lastmod>2017-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/endothermic-singlet-fission-does-not-proceed-via-an-excimer-intermediate-1710.09948"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/endothermic-singlet-fission-does-not-proceed-via-an-excimer-intermediate-1710.09948"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-treatment-of-local-meta-generalized-gradient-density-functionals-via-auxiliary-density-expansion-the-density-fitting-df-j-x-approximation-1710.10049</loc><lastmod>2018-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-treatment-of-local-meta-generalized-gradient-density-functionals-via-auxiliary-density-expansion-the-density-fitting-df-j-x-approximation-1710.10049"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-treatment-of-local-meta-generalized-gradient-density-functionals-via-auxiliary-density-expansion-the-density-fitting-df-j-x-approximation-1710.10049"/></url>
<url><loc>https://scifaro.com/en/abs/photobleaching-of-randomly-rotating-fluorescently-decorated-particles-1710.10340</loc><lastmod>2017-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photobleaching-of-randomly-rotating-fluorescently-decorated-particles-1710.10340"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photobleaching-of-randomly-rotating-fluorescently-decorated-particles-1710.10340"/></url>
<url><loc>https://scifaro.com/en/abs/sofi-for-plasmonics-extracting-near-field-intensity-in-the-far-field-at-high-density-1710.10552</loc><lastmod>2017-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sofi-for-plasmonics-extracting-near-field-intensity-in-the-far-field-at-high-density-1710.10552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sofi-for-plasmonics-extracting-near-field-intensity-in-the-far-field-at-high-density-1710.10552"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-solid-surface-in-bubble-formation-and-detachment-at-a-submerged-orifice-1710.10576</loc><lastmod>2017-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-solid-surface-in-bubble-formation-and-detachment-at-a-submerged-orifice-1710.10576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-solid-surface-in-bubble-formation-and-detachment-at-a-submerged-orifice-1710.10576"/></url>
<url><loc>https://scifaro.com/en/abs/spin-dependent-charge-recombination-along-para-phenylene-molecular-wires-1710.11106</loc><lastmod>2017-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-dependent-charge-recombination-along-para-phenylene-molecular-wires-1710.11106"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-dependent-charge-recombination-along-para-phenylene-molecular-wires-1710.11106"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-continuation-of-wolynes-theory-into-the-marcus-inverted-regime-1710.11113</loc><lastmod>2017-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-continuation-of-wolynes-theory-into-the-marcus-inverted-regime-1710.11113"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-continuation-of-wolynes-theory-into-the-marcus-inverted-regime-1710.11113"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-of-electron-transfer-beyond-the-born-oppenheimer-approximation-case-study-of-lif-1710.11377</loc><lastmod>2018-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-of-electron-transfer-beyond-the-born-oppenheimer-approximation-case-study-of-lif-1710.11377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-of-electron-transfer-beyond-the-born-oppenheimer-approximation-case-study-of-lif-1710.11377"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-ultrafast-x-ray-scattering-from-an-incoherent-electronic-mixture-1711.00156</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-ultrafast-x-ray-scattering-from-an-incoherent-electronic-mixture-1711.00156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-ultrafast-x-ray-scattering-from-an-incoherent-electronic-mixture-1711.00156"/></url>
<url><loc>https://scifaro.com/en/abs/adsorption-of-maleic-acid-monomer-on-the-surface-of-hydroxyapatite-and-tio2-a-pathway-toward-biomaterial-composites-1711.00357</loc><lastmod>2018-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adsorption-of-maleic-acid-monomer-on-the-surface-of-hydroxyapatite-and-tio2-a-pathway-toward-biomaterial-composites-1711.00357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adsorption-of-maleic-acid-monomer-on-the-surface-of-hydroxyapatite-and-tio2-a-pathway-toward-biomaterial-composites-1711.00357"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-classical-approaches-to-vibronic-spectra-revisited-1711.00646</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-classical-approaches-to-vibronic-spectra-revisited-1711.00646"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-classical-approaches-to-vibronic-spectra-revisited-1711.00646"/></url>
<url><loc>https://scifaro.com/en/abs/self-assembly-of-a-model-supramolecular-polymer-studied-by-replica-exchange-with-solute-tempering-1711.00840</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-assembly-of-a-model-supramolecular-polymer-studied-by-replica-exchange-with-solute-tempering-1711.00840"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-assembly-of-a-model-supramolecular-polymer-studied-by-replica-exchange-with-solute-tempering-1711.00840"/></url>
<url><loc>https://scifaro.com/en/abs/local-noncollinear-spin-analysis-1711.00919</loc><lastmod>2017-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-noncollinear-spin-analysis-1711.00919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-noncollinear-spin-analysis-1711.00919"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-for-internal-magnetic-fields-1711.01216</loc><lastmod>2018-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-for-internal-magnetic-fields-1711.01216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-for-internal-magnetic-fields-1711.01216"/></url>
<url><loc>https://scifaro.com/en/abs/experimentally-quantifying-anion-polarizability-at-the-air-water-interface-1711.01352</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimentally-quantifying-anion-polarizability-at-the-air-water-interface-1711.01352"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimentally-quantifying-anion-polarizability-at-the-air-water-interface-1711.01352"/></url>
<url><loc>https://scifaro.com/en/abs/experimentally-probing-hydrophobic-water-at-the-gold-electrode-aqueous-interface-1711.01376</loc><lastmod>2017-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimentally-probing-hydrophobic-water-at-the-gold-electrode-aqueous-interface-1711.01376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimentally-probing-hydrophobic-water-at-the-gold-electrode-aqueous-interface-1711.01376"/></url>
<url><loc>https://scifaro.com/en/abs/selective-orientation-of-chiral-molecules-by-laser-fields-with-twisted-polarization-1711.01552</loc><lastmod>2018-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selective-orientation-of-chiral-molecules-by-laser-fields-with-twisted-polarization-1711.01552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selective-orientation-of-chiral-molecules-by-laser-fields-with-twisted-polarization-1711.01552"/></url>
<url><loc>https://scifaro.com/en/abs/hyperpolarization-of-amino-acid-derivatives-in-water-for-biological-applications-1711.01553</loc><lastmod>2017-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hyperpolarization-of-amino-acid-derivatives-in-water-for-biological-applications-1711.01553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hyperpolarization-of-amino-acid-derivatives-in-water-for-biological-applications-1711.01553"/></url>
<url><loc>https://scifaro.com/en/abs/two-phase-thermodynamic-model-for-computing-entropies-of-liquids-reanalyzed-1711.02041</loc><lastmod>2017-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-phase-thermodynamic-model-for-computing-entropies-of-liquids-reanalyzed-1711.02041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-phase-thermodynamic-model-for-computing-entropies-of-liquids-reanalyzed-1711.02041"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-ben-amotz-and-honig-average-entropy-dissipation-in-irreversible-mesoscopic-processes-phys-rev-lett-96-020602-2006-1711.02145</loc><lastmod>2017-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-ben-amotz-and-honig-average-entropy-dissipation-in-irreversible-mesoscopic-processes-phys-rev-lett-96-020602-2006-1711.02145"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-ben-amotz-and-honig-average-entropy-dissipation-in-irreversible-mesoscopic-processes-phys-rev-lett-96-020602-2006-1711.02145"/></url>
<url><loc>https://scifaro.com/en/abs/temporal-dynamics-in-acoustic-emission-of-the-organic-self-propagating-high-temperature-synthesis-1711.02507</loc><lastmod>2017-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temporal-dynamics-in-acoustic-emission-of-the-organic-self-propagating-high-temperature-synthesis-1711.02507"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temporal-dynamics-in-acoustic-emission-of-the-organic-self-propagating-high-temperature-synthesis-1711.02507"/></url>
<url><loc>https://scifaro.com/en/abs/applications-of-h-uckel-su-schrieer-heeger-method-i-carbon-carbon-bond-lengths-in-polycyclic-aromatic-hydrocarbons-1711.02532</loc><lastmod>2021-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/applications-of-h-uckel-su-schrieer-heeger-method-i-carbon-carbon-bond-lengths-in-polycyclic-aromatic-hydrocarbons-1711.02532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/applications-of-h-uckel-su-schrieer-heeger-method-i-carbon-carbon-bond-lengths-in-polycyclic-aromatic-hydrocarbons-1711.02532"/></url>
<url><loc>https://scifaro.com/en/abs/gaussian-field-model-for-polar-fluids-as-a-function-of-density-and-polarization-toward-a-model-for-water-1711.02541</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-field-model-for-polar-fluids-as-a-function-of-density-and-polarization-toward-a-model-for-water-1711.02541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-field-model-for-polar-fluids-as-a-function-of-density-and-polarization-toward-a-model-for-water-1711.02541"/></url>
<url><loc>https://scifaro.com/en/abs/ultra-fast-relaxation-decoherence-and-localization-of-photoexcited-states-in-pi-conjugated-polymers-a-tebd-study-1711.02954</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultra-fast-relaxation-decoherence-and-localization-of-photoexcited-states-in-pi-conjugated-polymers-a-tebd-study-1711.02954"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultra-fast-relaxation-decoherence-and-localization-of-photoexcited-states-in-pi-conjugated-polymers-a-tebd-study-1711.02954"/></url>
<url><loc>https://scifaro.com/en/abs/investigating-the-importance-of-edge-structure-in-the-loss-of-h-h2-of-pah-cations-the-case-of-dibenzopyrene-isomers-1711.03046</loc><lastmod>2017-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigating-the-importance-of-edge-structure-in-the-loss-of-h-h2-of-pah-cations-the-case-of-dibenzopyrene-isomers-1711.03046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigating-the-importance-of-edge-structure-in-the-loss-of-h-h2-of-pah-cations-the-case-of-dibenzopyrene-isomers-1711.03046"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-high-harmonic-spectroscopy-of-ultrafast-photo-isomerization-dynamics-1711.03283</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-high-harmonic-spectroscopy-of-ultrafast-photo-isomerization-dynamics-1711.03283"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-high-harmonic-spectroscopy-of-ultrafast-photo-isomerization-dynamics-1711.03283"/></url>
<url><loc>https://scifaro.com/en/abs/multiconfigurational-short-range-density-functional-theory-for-open-shell-systems-1711.03882</loc><lastmod>2018-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiconfigurational-short-range-density-functional-theory-for-open-shell-systems-1711.03882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiconfigurational-short-range-density-functional-theory-for-open-shell-systems-1711.03882"/></url>
<url><loc>https://scifaro.com/en/abs/trivial-constraints-on-orbital-free-kinetic-energy-density-functionals-1711.04014</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/trivial-constraints-on-orbital-free-kinetic-energy-density-functionals-1711.04014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/trivial-constraints-on-orbital-free-kinetic-energy-density-functionals-1711.04014"/></url>
<url><loc>https://scifaro.com/en/abs/layer-by-layer-assembly-of-efficient-flame-retardant-coatings-based-on-high-aspect-ratio-graphene-oxide-and-chitosan-capable-of-preventing-ignition-of-pu-foam-1711.04318</loc><lastmod>2018-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/layer-by-layer-assembly-of-efficient-flame-retardant-coatings-based-on-high-aspect-ratio-graphene-oxide-and-chitosan-capable-of-preventing-ignition-of-pu-foam-1711.04318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/layer-by-layer-assembly-of-efficient-flame-retardant-coatings-based-on-high-aspect-ratio-graphene-oxide-and-chitosan-capable-of-preventing-ignition-of-pu-foam-1711.04318"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-water-dissociation-on-alpha-al-2-o-3-1-bar-1-02-theory-and-experiment-1711.04493</loc><lastmod>2017-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-water-dissociation-on-alpha-al-2-o-3-1-bar-1-02-theory-and-experiment-1711.04493"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-water-dissociation-on-alpha-al-2-o-3-1-bar-1-02-theory-and-experiment-1711.04493"/></url>
<url><loc>https://scifaro.com/en/abs/multi-stage-transformation-and-lattice-fluctuation-at-agcl-ag-interface-1711.04899</loc><lastmod>2018-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-stage-transformation-and-lattice-fluctuation-at-agcl-ag-interface-1711.04899"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-stage-transformation-and-lattice-fluctuation-at-agcl-ag-interface-1711.04899"/></url>
<url><loc>https://scifaro.com/en/abs/a-free-energy-landscape-of-the-capture-of-co2-by-frustrated-lewis-pairs-1711.05325</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-free-energy-landscape-of-the-capture-of-co2-by-frustrated-lewis-pairs-1711.05325"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-free-energy-landscape-of-the-capture-of-co2-by-frustrated-lewis-pairs-1711.05325"/></url>
<url><loc>https://scifaro.com/en/abs/energy-vs-density-on-paths-toward-more-exact-density-functionals-1711.05522</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-vs-density-on-paths-toward-more-exact-density-functionals-1711.05522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-vs-density-on-paths-toward-more-exact-density-functionals-1711.05522"/></url>
<url><loc>https://scifaro.com/en/abs/spatial-distribution-of-nuclei-in-progressive-nucleation-modeling-and-application-1711.05601</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spatial-distribution-of-nuclei-in-progressive-nucleation-modeling-and-application-1711.05601"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spatial-distribution-of-nuclei-in-progressive-nucleation-modeling-and-application-1711.05601"/></url>
<url><loc>https://scifaro.com/en/abs/open-boundary-simulations-of-proteins-and-their-hydration-shells-by-hamiltonian-adaptive-resolution-scheme-1711.05613</loc><lastmod>2017-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/open-boundary-simulations-of-proteins-and-their-hydration-shells-by-hamiltonian-adaptive-resolution-scheme-1711.05613"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/open-boundary-simulations-of-proteins-and-their-hydration-shells-by-hamiltonian-adaptive-resolution-scheme-1711.05613"/></url>
<url><loc>https://scifaro.com/en/abs/laplace-transformed-mp2-for-three-dimensional-periodic-materials-using-stochastic-orbitals-in-the-plane-wave-basis-and-correlated-sampling-1711.05709</loc><lastmod>2018-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laplace-transformed-mp2-for-three-dimensional-periodic-materials-using-stochastic-orbitals-in-the-plane-wave-basis-and-correlated-sampling-1711.05709"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laplace-transformed-mp2-for-three-dimensional-periodic-materials-using-stochastic-orbitals-in-the-plane-wave-basis-and-correlated-sampling-1711.05709"/></url>
<url><loc>https://scifaro.com/en/abs/posner-molecules-from-atomic-structure-to-nuclear-spins-1711.05899</loc><lastmod>2019-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/posner-molecules-from-atomic-structure-to-nuclear-spins-1711.05899"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/posner-molecules-from-atomic-structure-to-nuclear-spins-1711.05899"/></url>
<url><loc>https://scifaro.com/en/abs/bayesian-optimization-for-the-inverse-scattering-problem-in-quantum-reaction-dynamics-1711.06376</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bayesian-optimization-for-the-inverse-scattering-problem-in-quantum-reaction-dynamics-1711.06376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bayesian-optimization-for-the-inverse-scattering-problem-in-quantum-reaction-dynamics-1711.06376"/></url>
<url><loc>https://scifaro.com/en/abs/the-tensormol-0-1-model-chemistry-a-neural-network-augmented-with-long-range-physics-1711.06385</loc><lastmod>2017-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-tensormol-0-1-model-chemistry-a-neural-network-augmented-with-long-range-physics-1711.06385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-tensormol-0-1-model-chemistry-a-neural-network-augmented-with-long-range-physics-1711.06385"/></url>
<url><loc>https://scifaro.com/en/abs/non-additive-non-interacting-kinetic-energy-of-rare-gas-dimers-1711.06701</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-additive-non-interacting-kinetic-energy-of-rare-gas-dimers-1711.06701"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-additive-non-interacting-kinetic-energy-of-rare-gas-dimers-1711.06701"/></url>
<url><loc>https://scifaro.com/en/abs/towards-a-new-perturbation-theory-of-molecular-liquids-1711.06723</loc><lastmod>2017-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-a-new-perturbation-theory-of-molecular-liquids-1711.06723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-a-new-perturbation-theory-of-molecular-liquids-1711.06723"/></url>
<url><loc>https://scifaro.com/en/abs/plasmonic-hot-carrier-extraction-mechanisms-of-electron-emission-1711.07095</loc><lastmod>2017-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/plasmonic-hot-carrier-extraction-mechanisms-of-electron-emission-1711.07095"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/plasmonic-hot-carrier-extraction-mechanisms-of-electron-emission-1711.07095"/></url>
<url><loc>https://scifaro.com/en/abs/electron-paramagnetic-resonance-g-tensors-from-state-interaction-spin-orbit-coupling-density-matrix-renormalization-group-1711.07195</loc><lastmod>2018-07-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-paramagnetic-resonance-g-tensors-from-state-interaction-spin-orbit-coupling-density-matrix-renormalization-group-1711.07195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-paramagnetic-resonance-g-tensors-from-state-interaction-spin-orbit-coupling-density-matrix-renormalization-group-1711.07195"/></url>
<url><loc>https://scifaro.com/en/abs/researchers-in-an-entropy-wonderland-a-review-of-the-entropy-concept-1711.07326</loc><lastmod>2017-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/researchers-in-an-entropy-wonderland-a-review-of-the-entropy-concept-1711.07326"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/researchers-in-an-entropy-wonderland-a-review-of-the-entropy-concept-1711.07326"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-evaluation-of-relativistic-molecular-integrals-i-auxiliary-functions-1711.07475</loc><lastmod>2017-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-evaluation-of-relativistic-molecular-integrals-i-auxiliary-functions-1711.07475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-evaluation-of-relativistic-molecular-integrals-i-auxiliary-functions-1711.07475"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-electron-correlation-effects-in-strongly-correlated-systems-rm-n-2-and-rm-n-2-by-applying-dmrg-and-quantum-information-theory-1711.07701</loc><lastmod>2018-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-electron-correlation-effects-in-strongly-correlated-systems-rm-n-2-and-rm-n-2-by-applying-dmrg-and-quantum-information-theory-1711.07701"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-electron-correlation-effects-in-strongly-correlated-systems-rm-n-2-and-rm-n-2-by-applying-dmrg-and-quantum-information-theory-1711.07701"/></url>
<url><loc>https://scifaro.com/en/abs/forward-flux-sampling-calculation-of-homogeneous-nucleation-rates-from-aqueous-nacl-solutions-1711.07804</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/forward-flux-sampling-calculation-of-homogeneous-nucleation-rates-from-aqueous-nacl-solutions-1711.07804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/forward-flux-sampling-calculation-of-homogeneous-nucleation-rates-from-aqueous-nacl-solutions-1711.07804"/></url>
<url><loc>https://scifaro.com/en/abs/fluorescence-branching-ratios-and-magnetic-tuning-of-the-visible-spectrum-of-sroh-1711.08033</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fluorescence-branching-ratios-and-magnetic-tuning-of-the-visible-spectrum-of-sroh-1711.08033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fluorescence-branching-ratios-and-magnetic-tuning-of-the-visible-spectrum-of-sroh-1711.08033"/></url>
<url><loc>https://scifaro.com/en/abs/automatic-differentiation-in-quantum-chemistry-with-an-application-to-fully-variational-hartree-fock-1711.08127</loc><lastmod>2020-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automatic-differentiation-in-quantum-chemistry-with-an-application-to-fully-variational-hartree-fock-1711.08127"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automatic-differentiation-in-quantum-chemistry-with-an-application-to-fully-variational-hartree-fock-1711.08127"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-forward-backward-trajectory-approach-for-non-equilibrium-electron-ion-dynamics-1711.08197</loc><lastmod>2018-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-forward-backward-trajectory-approach-for-non-equilibrium-electron-ion-dynamics-1711.08197"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-forward-backward-trajectory-approach-for-non-equilibrium-electron-ion-dynamics-1711.08197"/></url>
<url><loc>https://scifaro.com/en/abs/the-interplay-of-structure-and-dynamics-in-the-raman-spectrum-of-liquid-water-over-the-full-frequency-and-temperature-range-1711.08563</loc><lastmod>2018-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-interplay-of-structure-and-dynamics-in-the-raman-spectrum-of-liquid-water-over-the-full-frequency-and-temperature-range-1711.08563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-interplay-of-structure-and-dynamics-in-the-raman-spectrum-of-liquid-water-over-the-full-frequency-and-temperature-range-1711.08563"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-energies-from-g-o-rling-levy-perturbation-theory-along-the-range-separated-adiabatic-connection-1711.08673</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-energies-from-g-o-rling-levy-perturbation-theory-along-the-range-separated-adiabatic-connection-1711.08673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-energies-from-g-o-rling-levy-perturbation-theory-along-the-range-separated-adiabatic-connection-1711.08673"/></url>
<url><loc>https://scifaro.com/en/abs/casimir-polder-size-consistency-a-constraint-violated-by-some-dispersion-theories-1711.08727</loc><lastmod>2017-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/casimir-polder-size-consistency-a-constraint-violated-by-some-dispersion-theories-1711.08727"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/casimir-polder-size-consistency-a-constraint-violated-by-some-dispersion-theories-1711.08727"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-rotational-states-of-the-hydrogen-molecule-1711.09287</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-rotational-states-of-the-hydrogen-molecule-1711.09287"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-rotational-states-of-the-hydrogen-molecule-1711.09287"/></url>
<url><loc>https://scifaro.com/en/abs/generalised-marcus-theory-for-multi-molecular-delocalised-charge-transfer-1711.09555</loc><lastmod>2019-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalised-marcus-theory-for-multi-molecular-delocalised-charge-transfer-1711.09555"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalised-marcus-theory-for-multi-molecular-delocalised-charge-transfer-1711.09555"/></url>
<url><loc>https://scifaro.com/en/abs/experimentally-probing-the-libration-of-interfacial-water-the-rotational-potential-of-water-is-stiffer-at-the-air-water-interface-than-in-bulk-liquid-1711.09764</loc><lastmod>2017-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimentally-probing-the-libration-of-interfacial-water-the-rotational-potential-of-water-is-stiffer-at-the-air-water-interface-than-in-bulk-liquid-1711.09764"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimentally-probing-the-libration-of-interfacial-water-the-rotational-potential-of-water-is-stiffer-at-the-air-water-interface-than-in-bulk-liquid-1711.09764"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-a-magnetic-field-on-molecule-solvent-angular-momentum-transfer-1711.09904</loc><lastmod>2018-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-a-magnetic-field-on-molecule-solvent-angular-momentum-transfer-1711.09904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-a-magnetic-field-on-molecule-solvent-angular-momentum-transfer-1711.09904"/></url>
<url><loc>https://scifaro.com/en/abs/demonstrating-that-the-non-orthogonal-orbital-optimized-coupled-cluster-model-converges-to-full-configuration-interaction-1711.10285</loc><lastmod>2018-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/demonstrating-that-the-non-orthogonal-orbital-optimized-coupled-cluster-model-converges-to-full-configuration-interaction-1711.10285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/demonstrating-that-the-non-orthogonal-orbital-optimized-coupled-cluster-model-converges-to-full-configuration-interaction-1711.10285"/></url>
<url><loc>https://scifaro.com/en/abs/in-situ-optical-characterization-of-noble-metal-thin-film-deposition-and-development-of-a-high-performance-plasmonic-sensor-1711.10313</loc><lastmod>2017-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-situ-optical-characterization-of-noble-metal-thin-film-deposition-and-development-of-a-high-performance-plasmonic-sensor-1711.10313"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-situ-optical-characterization-of-noble-metal-thin-film-deposition-and-development-of-a-high-performance-plasmonic-sensor-1711.10313"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-gold-nanobipyramid-enhanced-hydrogen-sensing-with-plasmon-red-shifts-reaching-140-nm-at-2-vol-hydrogen-concentration-1711.10632</loc><lastmod>2017-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-gold-nanobipyramid-enhanced-hydrogen-sensing-with-plasmon-red-shifts-reaching-140-nm-at-2-vol-hydrogen-concentration-1711.10632"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-gold-nanobipyramid-enhanced-hydrogen-sensing-with-plasmon-red-shifts-reaching-140-nm-at-2-vol-hydrogen-concentration-1711.10632"/></url>
<url><loc>https://scifaro.com/en/abs/quantitative-wave-function-analysis-for-excited-states-of-transition-metal-complexes-1711.10707</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantitative-wave-function-analysis-for-excited-states-of-transition-metal-complexes-1711.10707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantitative-wave-function-analysis-for-excited-states-of-transition-metal-complexes-1711.10707"/></url>
<url><loc>https://scifaro.com/en/abs/electron-affinities-of-water-clusters-from-density-functional-and-many-body-perturbation-theory-1711.10948</loc><lastmod>2017-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-affinities-of-water-clusters-from-density-functional-and-many-body-perturbation-theory-1711.10948"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-affinities-of-water-clusters-from-density-functional-and-many-body-perturbation-theory-1711.10948"/></url>
<url><loc>https://scifaro.com/en/abs/the-coulomb-hole-of-the-ne-atom-1712.01789</loc><lastmod>2019-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-coulomb-hole-of-the-ne-atom-1712.01789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-coulomb-hole-of-the-ne-atom-1712.01789"/></url>
<url><loc>https://scifaro.com/en/abs/photodissociation-dynamics-in-the-first-absorption-band-of-pyrrole-i-molecular-hamiltonian-and-the-herzberg-teller-absorption-spectrum-for-the-1-1a-2-pi-sigma-leftarrow-tilde-x-1a-1-pi-pi-transition-1712.02339</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photodissociation-dynamics-in-the-first-absorption-band-of-pyrrole-i-molecular-hamiltonian-and-the-herzberg-teller-absorption-spectrum-for-the-1-1a-2-pi-sigma-leftarrow-tilde-x-1a-1-pi-pi-transition-1712.02339"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photodissociation-dynamics-in-the-first-absorption-band-of-pyrrole-i-molecular-hamiltonian-and-the-herzberg-teller-absorption-spectrum-for-the-1-1a-2-pi-sigma-leftarrow-tilde-x-1a-1-pi-pi-transition-1712.02339"/></url>
<url><loc>https://scifaro.com/en/abs/renormalization-method-for-infinite-lattice-sums-revisited-lattice-sums-with-bloch-phase-factor-1712.02583</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/renormalization-method-for-infinite-lattice-sums-revisited-lattice-sums-with-bloch-phase-factor-1712.02583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/renormalization-method-for-infinite-lattice-sums-revisited-lattice-sums-with-bloch-phase-factor-1712.02583"/></url>
<url><loc>https://scifaro.com/en/abs/investigate-auto-ignition-of-stoichiometric-methane-air-mixture-1712.02680</loc><lastmod>2017-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigate-auto-ignition-of-stoichiometric-methane-air-mixture-1712.02680"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigate-auto-ignition-of-stoichiometric-methane-air-mixture-1712.02680"/></url>
<url><loc>https://scifaro.com/en/abs/multi-resolution-polymer-brownian-dynamics-with-hydrodynamic-interactions-1712.02706</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-resolution-polymer-brownian-dynamics-with-hydrodynamic-interactions-1712.02706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-resolution-polymer-brownian-dynamics-with-hydrodynamic-interactions-1712.02706"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-asymmetric-superrotors-alignment-and-orientation-1712.02843</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-asymmetric-superrotors-alignment-and-orientation-1712.02843"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-asymmetric-superrotors-alignment-and-orientation-1712.02843"/></url>
<url><loc>https://scifaro.com/en/abs/reinforced-dynamics-for-enhanced-sampling-in-large-atomic-and-molecular-systems-1712.03461</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reinforced-dynamics-for-enhanced-sampling-in-large-atomic-and-molecular-systems-1712.03461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reinforced-dynamics-for-enhanced-sampling-in-large-atomic-and-molecular-systems-1712.03461"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-dynamics-in-cavity-femtochemistry-application-of-the-multi-configuration-time-dependent-hartree-method-1712.03466</loc><lastmod>2018-06-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-dynamics-in-cavity-femtochemistry-application-of-the-multi-configuration-time-dependent-hartree-method-1712.03466"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-dynamics-in-cavity-femtochemistry-application-of-the-multi-configuration-time-dependent-hartree-method-1712.03466"/></url>
<url><loc>https://scifaro.com/en/abs/homolytic-cleavage-of-water-on-magnesia-film-promoted-by-interfacial-oxide-metal-nanocomposite-1712.03762</loc><lastmod>2017-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/homolytic-cleavage-of-water-on-magnesia-film-promoted-by-interfacial-oxide-metal-nanocomposite-1712.03762"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/homolytic-cleavage-of-water-on-magnesia-film-promoted-by-interfacial-oxide-metal-nanocomposite-1712.03762"/></url>
<url><loc>https://scifaro.com/en/abs/simultaneous-detection-of-h-and-d-nmr-signals-in-a-micro-tesla-field-1712.03858</loc><lastmod>2017-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simultaneous-detection-of-h-and-d-nmr-signals-in-a-micro-tesla-field-1712.03858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simultaneous-detection-of-h-and-d-nmr-signals-in-a-micro-tesla-field-1712.03858"/></url>
<url><loc>https://scifaro.com/en/abs/function-led-design-of-multifunctional-stimuli-responsive-superhydrophobic-surface-based-on-hierarchical-graphene-titania-nanocoating-1712.04176</loc><lastmod>2017-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/function-led-design-of-multifunctional-stimuli-responsive-superhydrophobic-surface-based-on-hierarchical-graphene-titania-nanocoating-1712.04176"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/function-led-design-of-multifunctional-stimuli-responsive-superhydrophobic-surface-based-on-hierarchical-graphene-titania-nanocoating-1712.04176"/></url>
<url><loc>https://scifaro.com/en/abs/visible-photocatalytic-degradation-of-methylene-blue-on-magnetic-semiconducting-la-modified-m-type-strontium-hexaferrite-1712.04278</loc><lastmod>2017-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visible-photocatalytic-degradation-of-methylene-blue-on-magnetic-semiconducting-la-modified-m-type-strontium-hexaferrite-1712.04278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visible-photocatalytic-degradation-of-methylene-blue-on-magnetic-semiconducting-la-modified-m-type-strontium-hexaferrite-1712.04278"/></url>
<url><loc>https://scifaro.com/en/abs/charcoal-obtained-from-cherry-stones-1712.04372</loc><lastmod>2019-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charcoal-obtained-from-cherry-stones-1712.04372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charcoal-obtained-from-cherry-stones-1712.04372"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-mechanics-basis-of-macleod-formula-1712.04508</loc><lastmod>2017-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-mechanics-basis-of-macleod-formula-1712.04508"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-mechanics-basis-of-macleod-formula-1712.04508"/></url>
<url><loc>https://scifaro.com/en/abs/berry-phase-of-adiabatic-electronic-configurations-in-fullerene-anions-1712.04513</loc><lastmod>2018-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/berry-phase-of-adiabatic-electronic-configurations-in-fullerene-anions-1712.04513"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/berry-phase-of-adiabatic-electronic-configurations-in-fullerene-anions-1712.04513"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-the-molecular-weight-distribution-from-atom-transfer-radical-polymerization-using-deep-reinforcement-learning-1712.04516</loc><lastmod>2018-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-the-molecular-weight-distribution-from-atom-transfer-radical-polymerization-using-deep-reinforcement-learning-1712.04516"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-the-molecular-weight-distribution-from-atom-transfer-radical-polymerization-using-deep-reinforcement-learning-1712.04516"/></url>
<url><loc>https://scifaro.com/en/abs/photodissociation-dynamics-in-the-first-absorption-band-of-pyrrole-ii-photofragment-distributions-for-the-1-a-2-pi-sigma-leftarrow-tilde-x-1-a-1-pi-pi-transition-1712.04531</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photodissociation-dynamics-in-the-first-absorption-band-of-pyrrole-ii-photofragment-distributions-for-the-1-a-2-pi-sigma-leftarrow-tilde-x-1-a-1-pi-pi-transition-1712.04531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photodissociation-dynamics-in-the-first-absorption-band-of-pyrrole-ii-photofragment-distributions-for-the-1-a-2-pi-sigma-leftarrow-tilde-x-1-a-1-pi-pi-transition-1712.04531"/></url>
<url><loc>https://scifaro.com/en/abs/deterministic-construction-of-nodal-surfaces-within-quantum-monte-carlo-the-case-of-fes-1712.05034</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deterministic-construction-of-nodal-surfaces-within-quantum-monte-carlo-the-case-of-fes-1712.05034"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deterministic-construction-of-nodal-surfaces-within-quantum-monte-carlo-the-case-of-fes-1712.05034"/></url>
<url><loc>https://scifaro.com/en/abs/glycine-zwitterion-stabilized-by-four-water-molecules-1712.05542</loc><lastmod>2019-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/glycine-zwitterion-stabilized-by-four-water-molecules-1712.05542"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/glycine-zwitterion-stabilized-by-four-water-molecules-1712.05542"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-surface-hopping-and-multiphoton-ionisation-study-of-the-photodissociation-dynamics-of-cs-2-1712.05634</loc><lastmod>2017-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-surface-hopping-and-multiphoton-ionisation-study-of-the-photodissociation-dynamics-of-cs-2-1712.05634"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-surface-hopping-and-multiphoton-ionisation-study-of-the-photodissociation-dynamics-of-cs-2-1712.05634"/></url>
<url><loc>https://scifaro.com/en/abs/resonant-multiphoton-ionisation-probe-of-the-photodissociation-dynamics-of-ammonia-1712.05646</loc><lastmod>2017-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resonant-multiphoton-ionisation-probe-of-the-photodissociation-dynamics-of-ammonia-1712.05646"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resonant-multiphoton-ionisation-probe-of-the-photodissociation-dynamics-of-ammonia-1712.05646"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-bonds-in-excited-state-proton-transfer-1712.05655</loc><lastmod>2017-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-bonds-in-excited-state-proton-transfer-1712.05655"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-bonds-in-excited-state-proton-transfer-1712.05655"/></url>
<url><loc>https://scifaro.com/en/abs/wacsf-weighted-atom-centered-symmetry-functions-as-descriptors-in-machine-learning-potentials-1712.05861</loc><lastmod>2021-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wacsf-weighted-atom-centered-symmetry-functions-as-descriptors-in-machine-learning-potentials-1712.05861"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wacsf-weighted-atom-centered-symmetry-functions-as-descriptors-in-machine-learning-potentials-1712.05861"/></url>
<url><loc>https://scifaro.com/en/abs/copper-catalyzed-efficient-synthesis-of-5-arylindazolo-3-2-b-quinazolin-7-5h-ones-from-2-nitrobenzaldehydes-1712.05904</loc><lastmod>2017-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/copper-catalyzed-efficient-synthesis-of-5-arylindazolo-3-2-b-quinazolin-7-5h-ones-from-2-nitrobenzaldehydes-1712.05904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/copper-catalyzed-efficient-synthesis-of-5-arylindazolo-3-2-b-quinazolin-7-5h-ones-from-2-nitrobenzaldehydes-1712.05904"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-phase-of-light-induced-conical-intersections-adiabatic-time-dependent-approach-1712.05961</loc><lastmod>2018-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-phase-of-light-induced-conical-intersections-adiabatic-time-dependent-approach-1712.05961"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-phase-of-light-induced-conical-intersections-adiabatic-time-dependent-approach-1712.05961"/></url>
<url><loc>https://scifaro.com/en/abs/high-pressure-electron-spin-resonance-of-the-endohedral-fullerene-15-mathrm-n-c-60-1712.05991</loc><lastmod>2017-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-pressure-electron-spin-resonance-of-the-endohedral-fullerene-15-mathrm-n-c-60-1712.05991"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-pressure-electron-spin-resonance-of-the-endohedral-fullerene-15-mathrm-n-c-60-1712.05991"/></url>
<url><loc>https://scifaro.com/en/abs/schnet-a-deep-learning-architecture-for-molecules-and-materials-1712.06113</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/schnet-a-deep-learning-architecture-for-molecules-and-materials-1712.06113"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/schnet-a-deep-learning-architecture-for-molecules-and-materials-1712.06113"/></url>
<url><loc>https://scifaro.com/en/abs/room-temperature-ultrafast-non-linear-spectroscopy-of-a-single-molecule-1712.06501</loc><lastmod>2017-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/room-temperature-ultrafast-non-linear-spectroscopy-of-a-single-molecule-1712.06501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/room-temperature-ultrafast-non-linear-spectroscopy-of-a-single-molecule-1712.06501"/></url>
<url><loc>https://scifaro.com/en/abs/reproducing-quantum-probability-distributions-at-the-speed-of-classical-dynamics-a-new-approach-for-developing-force-field-functors-1712.06649</loc><lastmod>2020-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reproducing-quantum-probability-distributions-at-the-speed-of-classical-dynamics-a-new-approach-for-developing-force-field-functors-1712.06649"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reproducing-quantum-probability-distributions-at-the-speed-of-classical-dynamics-a-new-approach-for-developing-force-field-functors-1712.06649"/></url>
<url><loc>https://scifaro.com/en/abs/multielectron-effects-in-strong-field-ionization-of-benzene-derivatives-1712.06663</loc><lastmod>2018-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multielectron-effects-in-strong-field-ionization-of-benzene-derivatives-1712.06663"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multielectron-effects-in-strong-field-ionization-of-benzene-derivatives-1712.06663"/></url>
<url><loc>https://scifaro.com/en/abs/cysteine-and-cystine-adsorption-on-fes-2-100-1712.06785</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cysteine-and-cystine-adsorption-on-fes-2-100-1712.06785"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cysteine-and-cystine-adsorption-on-fes-2-100-1712.06785"/></url>
<url><loc>https://scifaro.com/en/abs/methodological-and-computational-aspects-of-parallel-tempering-methods-in-the-infinite-swapping-limit-1712.06947</loc><lastmod>2017-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/methodological-and-computational-aspects-of-parallel-tempering-methods-in-the-infinite-swapping-limit-1712.06947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/methodological-and-computational-aspects-of-parallel-tempering-methods-in-the-infinite-swapping-limit-1712.06947"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-diffusion-in-solid-state-electrolytes-through-md-simulations-improvement-of-the-li-ion-conductivity-in-beta-li3ps4-as-an-example-1712.06962</loc><lastmod>2018-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-diffusion-in-solid-state-electrolytes-through-md-simulations-improvement-of-the-li-ion-conductivity-in-beta-li3ps4-as-an-example-1712.06962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-diffusion-in-solid-state-electrolytes-through-md-simulations-improvement-of-the-li-ion-conductivity-in-beta-li3ps4-as-an-example-1712.06962"/></url>
<url><loc>https://scifaro.com/en/abs/nonequilibrium-quantum-solvation-with-a-time-dependent-onsager-cavity-1712.06973</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonequilibrium-quantum-solvation-with-a-time-dependent-onsager-cavity-1712.06973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonequilibrium-quantum-solvation-with-a-time-dependent-onsager-cavity-1712.06973"/></url>
<url><loc>https://scifaro.com/en/abs/pulsed-versus-continuous-wave-operation-of-a-ring-stark-decelerator-1712.07044</loc><lastmod>2017-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pulsed-versus-continuous-wave-operation-of-a-ring-stark-decelerator-1712.07044"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pulsed-versus-continuous-wave-operation-of-a-ring-stark-decelerator-1712.07044"/></url>
<url><loc>https://scifaro.com/en/abs/metadynamics-for-training-neural-network-model-chemistries-a-competitive-assessment-1712.07240</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/metadynamics-for-training-neural-network-model-chemistries-a-competitive-assessment-1712.07240"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/metadynamics-for-training-neural-network-model-chemistries-a-competitive-assessment-1712.07240"/></url>
<url><loc>https://scifaro.com/en/abs/can-density-matrix-embedding-theory-with-the-complete-activate-space-self-consistent-field-solver-describe-single-and-double-bond-breaking-in-molecular-systems-1712.07245</loc><lastmod>2018-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-density-matrix-embedding-theory-with-the-complete-activate-space-self-consistent-field-solver-describe-single-and-double-bond-breaking-in-molecular-systems-1712.07245"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-density-matrix-embedding-theory-with-the-complete-activate-space-self-consistent-field-solver-describe-single-and-double-bond-breaking-in-molecular-systems-1712.07245"/></url>
<url><loc>https://scifaro.com/en/abs/neural-network-approach-to-time-dependent-dividing-surfaces-in-classical-reaction-dynamics-1712.07324</loc><lastmod>2018-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-network-approach-to-time-dependent-dividing-surfaces-in-classical-reaction-dynamics-1712.07324"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-network-approach-to-time-dependent-dividing-surfaces-in-classical-reaction-dynamics-1712.07324"/></url>
<url><loc>https://scifaro.com/en/abs/an-electrochemical-technique-for-measurements-of-electrical-conductivity-of-aqueous-electrolytes-1712.07382</loc><lastmod>2017-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-electrochemical-technique-for-measurements-of-electrical-conductivity-of-aqueous-electrolytes-1712.07382"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-electrochemical-technique-for-measurements-of-electrical-conductivity-of-aqueous-electrolytes-1712.07382"/></url>
<url><loc>https://scifaro.com/en/abs/spatial-and-spin-symmetry-breaking-in-semidefinite-programming-based-hartree-fock-theory-1712.07680</loc><lastmod>2018-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spatial-and-spin-symmetry-breaking-in-semidefinite-programming-based-hartree-fock-theory-1712.07680"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spatial-and-spin-symmetry-breaking-in-semidefinite-programming-based-hartree-fock-theory-1712.07680"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-mechanism-stabilizing-intermediate-spin-states-in-fe-ii-porphyrin-1712.07710</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-mechanism-stabilizing-intermediate-spin-states-in-fe-ii-porphyrin-1712.07710"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-mechanism-stabilizing-intermediate-spin-states-in-fe-ii-porphyrin-1712.07710"/></url>
<url><loc>https://scifaro.com/en/abs/melting-of-the-au20-gold-cluster-does-charge-matter-1712.08003</loc><lastmod>2018-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/melting-of-the-au20-gold-cluster-does-charge-matter-1712.08003"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/melting-of-the-au20-gold-cluster-does-charge-matter-1712.08003"/></url>
<url><loc>https://scifaro.com/en/abs/msm-rd-coupling-markov-state-models-of-molecular-kinetics-with-reaction-diffusion-simulations-1712.08149</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/msm-rd-coupling-markov-state-models-of-molecular-kinetics-with-reaction-diffusion-simulations-1712.08149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/msm-rd-coupling-markov-state-models-of-molecular-kinetics-with-reaction-diffusion-simulations-1712.08149"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-molecular-properties-on-the-dimerization-of-aromatic-compounds-1712.08187</loc><lastmod>2017-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-molecular-properties-on-the-dimerization-of-aromatic-compounds-1712.08187"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-molecular-properties-on-the-dimerization-of-aromatic-compounds-1712.08187"/></url>
<url><loc>https://scifaro.com/en/abs/non-equilibrium-effects-on-thermal-ignition-using-hard-sphere-molecular-dynamics-simulations-1712.08208</loc><lastmod>2019-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-equilibrium-effects-on-thermal-ignition-using-hard-sphere-molecular-dynamics-simulations-1712.08208"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-equilibrium-effects-on-thermal-ignition-using-hard-sphere-molecular-dynamics-simulations-1712.08208"/></url>
<url><loc>https://scifaro.com/en/abs/alchemical-and-structural-distribution-based-representation-for-improved-qml-1712.08417</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alchemical-and-structural-distribution-based-representation-for-improved-qml-1712.08417"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alchemical-and-structural-distribution-based-representation-for-improved-qml-1712.08417"/></url>
<url><loc>https://scifaro.com/en/abs/structure-of-the-first-order-reduced-density-matrix-in-three-electron-systems-a-generalized-pauli-constraints-assisted-study-1712.08670</loc><lastmod>2018-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-of-the-first-order-reduced-density-matrix-in-three-electron-systems-a-generalized-pauli-constraints-assisted-study-1712.08670"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-of-the-first-order-reduced-density-matrix-in-three-electron-systems-a-generalized-pauli-constraints-assisted-study-1712.08670"/></url>
<url><loc>https://scifaro.com/en/abs/tailored-porous-electrode-resistance-for-controlling-electrolyte-depletion-and-improving-charging-response-in-electrochemical-systems-1712.08826</loc><lastmod>2017-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tailored-porous-electrode-resistance-for-controlling-electrolyte-depletion-and-improving-charging-response-in-electrochemical-systems-1712.08826"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tailored-porous-electrode-resistance-for-controlling-electrolyte-depletion-and-improving-charging-response-in-electrochemical-systems-1712.08826"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-optimized-coupled-cluster-method-for-multielectron-dynamics-1712.09044</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-optimized-coupled-cluster-method-for-multielectron-dynamics-1712.09044"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-optimized-coupled-cluster-method-for-multielectron-dynamics-1712.09044"/></url>
<url><loc>https://scifaro.com/en/abs/phase-synchronous-undersampling-in-nonlinear-spectroscopy-1712.09109</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-synchronous-undersampling-in-nonlinear-spectroscopy-1712.09109"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-synchronous-undersampling-in-nonlinear-spectroscopy-1712.09109"/></url>
<url><loc>https://scifaro.com/en/abs/exomol-line-lists-xxii-the-rotation-vibration-spectrum-of-silane-up-to-1200-k-1712.09354</loc><lastmod>2017-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exomol-line-lists-xxii-the-rotation-vibration-spectrum-of-silane-up-to-1200-k-1712.09354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exomol-line-lists-xxii-the-rotation-vibration-spectrum-of-silane-up-to-1200-k-1712.09354"/></url>
<url><loc>https://scifaro.com/en/abs/the-s66-noncovalent-interactions-benchmark-reconsidered-using-explicitly-correlated-methods-near-the-basis-set-limit-1712.09395</loc><lastmod>2018-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-s66-noncovalent-interactions-benchmark-reconsidered-using-explicitly-correlated-methods-near-the-basis-set-limit-1712.09395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-s66-noncovalent-interactions-benchmark-reconsidered-using-explicitly-correlated-methods-near-the-basis-set-limit-1712.09395"/></url>
<url><loc>https://scifaro.com/en/abs/an-experimental-water-line-list-at-1950-k-in-the-6250-6670-cm-region-1712.09406</loc><lastmod>2017-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-experimental-water-line-list-at-1950-k-in-the-6250-6670-cm-region-1712.09406"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-experimental-water-line-list-at-1950-k-in-the-6250-6670-cm-region-1712.09406"/></url>
<url><loc>https://scifaro.com/en/abs/critical-role-of-quantum-dynamical-effects-in-the-raman-spectroscopy-of-liquid-water-1712.10115</loc><lastmod>2019-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/critical-role-of-quantum-dynamical-effects-in-the-raman-spectroscopy-of-liquid-water-1712.10115"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/critical-role-of-quantum-dynamical-effects-in-the-raman-spectroscopy-of-liquid-water-1712.10115"/></url>
<url><loc>https://scifaro.com/en/abs/revisiting-an-approximation-in-the-wilson-g-matrix-formalism-and-its-impact-on-molecular-quantum-dynamics-1712.10170</loc><lastmod>2018-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revisiting-an-approximation-in-the-wilson-g-matrix-formalism-and-its-impact-on-molecular-quantum-dynamics-1712.10170"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revisiting-an-approximation-in-the-wilson-g-matrix-formalism-and-its-impact-on-molecular-quantum-dynamics-1712.10170"/></url>
<url><loc>https://scifaro.com/en/abs/topological-study-of-the-h-3-molecular-system-h-3-as-a-cornerstone-for-building-molecules-during-the-big-bang-1801.00103</loc><lastmod>2018-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topological-study-of-the-h-3-molecular-system-h-3-as-a-cornerstone-for-building-molecules-during-the-big-bang-1801.00103"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topological-study-of-the-h-3-molecular-system-h-3-as-a-cornerstone-for-building-molecules-during-the-big-bang-1801.00103"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-method-for-finding-the-minimum-free-energy-pathway-of-ions-and-small-molecule-transportation-through-protein-based-on-3d-rism-theory-and-the-string-method-1801.00251</loc><lastmod>2018-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-method-for-finding-the-minimum-free-energy-pathway-of-ions-and-small-molecule-transportation-through-protein-based-on-3d-rism-theory-and-the-string-method-1801.00251"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-method-for-finding-the-minimum-free-energy-pathway-of-ions-and-small-molecule-transportation-through-protein-based-on-3d-rism-theory-and-the-string-method-1801.00251"/></url>
<url><loc>https://scifaro.com/en/abs/spatial-dependence-of-polycyclic-aromatic-compounds-growth-in-counterflow-flames-1801.00666</loc><lastmod>2018-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spatial-dependence-of-polycyclic-aromatic-compounds-growth-in-counterflow-flames-1801.00666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spatial-dependence-of-polycyclic-aromatic-compounds-growth-in-counterflow-flames-1801.00666"/></url>
<url><loc>https://scifaro.com/en/abs/variational-nonadiabatic-dynamics-in-the-moving-crude-adiabatic-representation-further-merging-of-nuclear-dynamics-and-electronic-structure-1801.00703</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-nonadiabatic-dynamics-in-the-moving-crude-adiabatic-representation-further-merging-of-nuclear-dynamics-and-electronic-structure-1801.00703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-nonadiabatic-dynamics-in-the-moving-crude-adiabatic-representation-further-merging-of-nuclear-dynamics-and-electronic-structure-1801.00703"/></url>
<url><loc>https://scifaro.com/en/abs/reduction-of-nitrogen-oxides-nox-by-superalkalis-1801.00913</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduction-of-nitrogen-oxides-nox-by-superalkalis-1801.00913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduction-of-nitrogen-oxides-nox-by-superalkalis-1801.00913"/></url>
<url><loc>https://scifaro.com/en/abs/orientational-dependence-of-the-van-der-waals-interactions-for-finite-sized-particles-1801.00918</loc><lastmod>2019-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orientational-dependence-of-the-van-der-waals-interactions-for-finite-sized-particles-1801.00918"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orientational-dependence-of-the-van-der-waals-interactions-for-finite-sized-particles-1801.00918"/></url>
<url><loc>https://scifaro.com/en/abs/full-configuration-interaction-quantum-monte-carlo-benchmark-and-multireference-coupled-cluster-studies-of-tetramethyleneethane-diradical-1801.01057</loc><lastmod>2018-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-configuration-interaction-quantum-monte-carlo-benchmark-and-multireference-coupled-cluster-studies-of-tetramethyleneethane-diradical-1801.01057"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-configuration-interaction-quantum-monte-carlo-benchmark-and-multireference-coupled-cluster-studies-of-tetramethyleneethane-diradical-1801.01057"/></url>
<url><loc>https://scifaro.com/en/abs/multiphase-monte-carlo-and-molecular-dynamics-simulations-of-water-and-co2-intercalation-in-montmorillonite-and-beidellite-1801.01176</loc><lastmod>2018-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiphase-monte-carlo-and-molecular-dynamics-simulations-of-water-and-co2-intercalation-in-montmorillonite-and-beidellite-1801.01176"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiphase-monte-carlo-and-molecular-dynamics-simulations-of-water-and-co2-intercalation-in-montmorillonite-and-beidellite-1801.01176"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-to-classical-transition-of-proton-transfer-in-electrocatalytic-oxygen-reduction-1801.01230</loc><lastmod>2018-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-to-classical-transition-of-proton-transfer-in-electrocatalytic-oxygen-reduction-1801.01230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-to-classical-transition-of-proton-transfer-in-electrocatalytic-oxygen-reduction-1801.01230"/></url>
<url><loc>https://scifaro.com/en/abs/probing-resonant-energy-transfer-in-collisions-of-ammonia-with-rydberg-helium-atoms-by-microwave-spectroscopy-1801.01390</loc><lastmod>2018-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-resonant-energy-transfer-in-collisions-of-ammonia-with-rydberg-helium-atoms-by-microwave-spectroscopy-1801.01390"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-resonant-energy-transfer-in-collisions-of-ammonia-with-rydberg-helium-atoms-by-microwave-spectroscopy-1801.01390"/></url>
<url><loc>https://scifaro.com/en/abs/a-comparative-study-of-aqueous-dmso-mixtures-by-computer-simulations-and-integral-equation-theories-1801.01470</loc><lastmod>2018-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comparative-study-of-aqueous-dmso-mixtures-by-computer-simulations-and-integral-equation-theories-1801.01470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comparative-study-of-aqueous-dmso-mixtures-by-computer-simulations-and-integral-equation-theories-1801.01470"/></url>
<url><loc>https://scifaro.com/en/abs/cross-sections-for-electron-collisions-with-nf-3-1801.01691</loc><lastmod>2018-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cross-sections-for-electron-collisions-with-nf-3-1801.01691"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cross-sections-for-electron-collisions-with-nf-3-1801.01691"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-description-of-charged-excitations-in-molecular-solids-from-embedded-many-body-perturbation-theory-1801.01755</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-description-of-charged-excitations-in-molecular-solids-from-embedded-many-body-perturbation-theory-1801.01755"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-description-of-charged-excitations-in-molecular-solids-from-embedded-many-body-perturbation-theory-1801.01755"/></url>
<url><loc>https://scifaro.com/en/abs/writing-on-nanocrystals-patterning-colloidal-inorganic-nanocrystal-films-through-irradiation-induced-chemical-transformations-of-surface-ligands-1801.01756</loc><lastmod>2018-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/writing-on-nanocrystals-patterning-colloidal-inorganic-nanocrystal-films-through-irradiation-induced-chemical-transformations-of-surface-ligands-1801.01756"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/writing-on-nanocrystals-patterning-colloidal-inorganic-nanocrystal-films-through-irradiation-induced-chemical-transformations-of-surface-ligands-1801.01756"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-stitching-extending-the-reach-of-quantum-fermion-solvers-1801.01927</loc><lastmod>2018-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-stitching-extending-the-reach-of-quantum-fermion-solvers-1801.01927"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-stitching-extending-the-reach-of-quantum-fermion-solvers-1801.01927"/></url>
<url><loc>https://scifaro.com/en/abs/lithiation-of-silicon-anode-based-on-soft-x-ray-emission-spectroscopy-a-theoretical-study-1801.01983</loc><lastmod>2018-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lithiation-of-silicon-anode-based-on-soft-x-ray-emission-spectroscopy-a-theoretical-study-1801.01983"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lithiation-of-silicon-anode-based-on-soft-x-ray-emission-spectroscopy-a-theoretical-study-1801.01983"/></url>
<url><loc>https://scifaro.com/en/abs/integrated-reaction-path-processing-from-sampled-structure-sequences-1801.02100</loc><lastmod>2018-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/integrated-reaction-path-processing-from-sampled-structure-sequences-1801.02100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/integrated-reaction-path-processing-from-sampled-structure-sequences-1801.02100"/></url>
<url><loc>https://scifaro.com/en/abs/organic-superalkalis-with-closed-shell-structure-and-aromaticity-1801.02136</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/organic-superalkalis-with-closed-shell-structure-and-aromaticity-1801.02136"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/organic-superalkalis-with-closed-shell-structure-and-aromaticity-1801.02136"/></url>
<url><loc>https://scifaro.com/en/abs/determination-of-trace-moisture-content-in-dimethylacetamide-by-gas-chromatography-1801.02288</loc><lastmod>2018-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determination-of-trace-moisture-content-in-dimethylacetamide-by-gas-chromatography-1801.02288"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determination-of-trace-moisture-content-in-dimethylacetamide-by-gas-chromatography-1801.02288"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-gamma-amino-butyric-acid-in-the-germinated-brown-rice-by-pre-column-derivatization-with-2-4-dinitrofluorobenzene-1801.02289</loc><lastmod>2018-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-gamma-amino-butyric-acid-in-the-germinated-brown-rice-by-pre-column-derivatization-with-2-4-dinitrofluorobenzene-1801.02289"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-gamma-amino-butyric-acid-in-the-germinated-brown-rice-by-pre-column-derivatization-with-2-4-dinitrofluorobenzene-1801.02289"/></url>
<url><loc>https://scifaro.com/en/abs/control-of-excitation-energy-transfer-in-condensed-phase-molecular-systems-by-floquet-engineering-1801.02813</loc><lastmod>2018-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/control-of-excitation-energy-transfer-in-condensed-phase-molecular-systems-by-floquet-engineering-1801.02813"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/control-of-excitation-energy-transfer-in-condensed-phase-molecular-systems-by-floquet-engineering-1801.02813"/></url>
<url><loc>https://scifaro.com/en/abs/sampling-molecular-conformations-and-dynamics-in-a-multi-user-virtual-reality-framework-1801.02884</loc><lastmod>2019-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sampling-molecular-conformations-and-dynamics-in-a-multi-user-virtual-reality-framework-1801.02884"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sampling-molecular-conformations-and-dynamics-in-a-multi-user-virtual-reality-framework-1801.02884"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-initial-value-theory-of-rotationally-inelastic-scattering-some-remarks-on-the-phase-index-in-the-interaction-picture-1801.02983</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-initial-value-theory-of-rotationally-inelastic-scattering-some-remarks-on-the-phase-index-in-the-interaction-picture-1801.02983"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-initial-value-theory-of-rotationally-inelastic-scattering-some-remarks-on-the-phase-index-in-the-interaction-picture-1801.02983"/></url>
<url><loc>https://scifaro.com/en/abs/probabilistic-performance-estimators-for-computational-chemistry-methods-the-empirical-cumulative-distribution-function-of-absolute-errors-1801.03305</loc><lastmod>2018-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probabilistic-performance-estimators-for-computational-chemistry-methods-the-empirical-cumulative-distribution-function-of-absolute-errors-1801.03305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probabilistic-performance-estimators-for-computational-chemistry-methods-the-empirical-cumulative-distribution-function-of-absolute-errors-1801.03305"/></url>
<url><loc>https://scifaro.com/en/abs/microsolvation-of-phthalocyanine-molecules-in-superfluid-helium-nanodroplets-as-revealed-by-the-optical-line-shape-at-the-electronic-origin-1801.03679</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microsolvation-of-phthalocyanine-molecules-in-superfluid-helium-nanodroplets-as-revealed-by-the-optical-line-shape-at-the-electronic-origin-1801.03679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microsolvation-of-phthalocyanine-molecules-in-superfluid-helium-nanodroplets-as-revealed-by-the-optical-line-shape-at-the-electronic-origin-1801.03679"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-mechanism-of-hydrogen-activation-by-frustrated-lewis-pairs-1801.03713</loc><lastmod>2018-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-mechanism-of-hydrogen-activation-by-frustrated-lewis-pairs-1801.03713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-mechanism-of-hydrogen-activation-by-frustrated-lewis-pairs-1801.03713"/></url>
<url><loc>https://scifaro.com/en/abs/exact-solution-of-schr-odinger-equation-with-symmetric-double-well-potential-versus-wkb-accuracy-for-ground-state-splitting-1801.03733</loc><lastmod>2018-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-solution-of-schr-odinger-equation-with-symmetric-double-well-potential-versus-wkb-accuracy-for-ground-state-splitting-1801.03733"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-solution-of-schr-odinger-equation-with-symmetric-double-well-potential-versus-wkb-accuracy-for-ground-state-splitting-1801.03733"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-and-fine-structure-of-open-shell-molecules-in-nearly-degenerate-electronic-states-1801.03923</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-and-fine-structure-of-open-shell-molecules-in-nearly-degenerate-electronic-states-1801.03923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-and-fine-structure-of-open-shell-molecules-in-nearly-degenerate-electronic-states-1801.03923"/></url>
<url><loc>https://scifaro.com/en/abs/first-order-symmetry-adapted-perturbation-theory-for-multiplet-splittings-1801.04078</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-order-symmetry-adapted-perturbation-theory-for-multiplet-splittings-1801.04078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-order-symmetry-adapted-perturbation-theory-for-multiplet-splittings-1801.04078"/></url>
<url><loc>https://scifaro.com/en/abs/holomorphic-hartree-fock-theory-the-nature-of-two-electron-problems-1801.04141</loc><lastmod>2018-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/holomorphic-hartree-fock-theory-the-nature-of-two-electron-problems-1801.04141"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/holomorphic-hartree-fock-theory-the-nature-of-two-electron-problems-1801.04141"/></url>
<url><loc>https://scifaro.com/en/abs/divide-and-conquer-semiclassical-molecular-dynamics-a-practical-method-for-spectroscopic-calculations-of-high-dimensional-molecular-systems-1801.04226</loc><lastmod>2018-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/divide-and-conquer-semiclassical-molecular-dynamics-a-practical-method-for-spectroscopic-calculations-of-high-dimensional-molecular-systems-1801.04226"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/divide-and-conquer-semiclassical-molecular-dynamics-a-practical-method-for-spectroscopic-calculations-of-high-dimensional-molecular-systems-1801.04226"/></url>
<url><loc>https://scifaro.com/en/abs/attomicroscopy-from-femtosecond-to-attosecond-electron-microscopy-1801.04350</loc><lastmod>2018-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attomicroscopy-from-femtosecond-to-attosecond-electron-microscopy-1801.04350"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attomicroscopy-from-femtosecond-to-attosecond-electron-microscopy-1801.04350"/></url>
<url><loc>https://scifaro.com/en/abs/solvophobic-and-solvophilic-contributions-in-the-water-to-aqueous-guanidinium-chloride-transfer-free-energy-of-model-peptides-1801.04649</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvophobic-and-solvophilic-contributions-in-the-water-to-aqueous-guanidinium-chloride-transfer-free-energy-of-model-peptides-1801.04649"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvophobic-and-solvophilic-contributions-in-the-water-to-aqueous-guanidinium-chloride-transfer-free-energy-of-model-peptides-1801.04649"/></url>
<url><loc>https://scifaro.com/en/abs/heteronuclear-limit-of-strong-field-ionization-fragmentation-of-heh-by-intense-ultrashort-laser-pulses-1801.04831</loc><lastmod>2018-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heteronuclear-limit-of-strong-field-ionization-fragmentation-of-heh-by-intense-ultrashort-laser-pulses-1801.04831"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heteronuclear-limit-of-strong-field-ionization-fragmentation-of-heh-by-intense-ultrashort-laser-pulses-1801.04831"/></url>
<url><loc>https://scifaro.com/en/abs/single-photon-absorption-by-single-photosynthetic-light-harvesting-complexes-1801.04924</loc><lastmod>2018-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/single-photon-absorption-by-single-photosynthetic-light-harvesting-complexes-1801.04924"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/single-photon-absorption-by-single-photosynthetic-light-harvesting-complexes-1801.04924"/></url>
<url><loc>https://scifaro.com/en/abs/lessons-on-electronic-decoherence-in-molecules-from-exact-modeling-1801.05846</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lessons-on-electronic-decoherence-in-molecules-from-exact-modeling-1801.05846"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lessons-on-electronic-decoherence-in-molecules-from-exact-modeling-1801.05846"/></url>
<url><loc>https://scifaro.com/en/abs/pre-born-oppenheimer-molecular-structure-theory-1801.05885</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pre-born-oppenheimer-molecular-structure-theory-1801.05885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pre-born-oppenheimer-molecular-structure-theory-1801.05885"/></url>
<url><loc>https://scifaro.com/en/abs/association-free-energies-of-metal-cations-with-mesylate-and-acetate-in-brine-calculated-via-molecular-dynamics-simulation-1801.05888</loc><lastmod>2018-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/association-free-energies-of-metal-cations-with-mesylate-and-acetate-in-brine-calculated-via-molecular-dynamics-simulation-1801.05888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/association-free-energies-of-metal-cations-with-mesylate-and-acetate-in-brine-calculated-via-molecular-dynamics-simulation-1801.05888"/></url>
<url><loc>https://scifaro.com/en/abs/ehrenfest-statistical-dynamics-in-chemistry-study-of-decoherence-effects-1801.06137</loc><lastmod>2018-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ehrenfest-statistical-dynamics-in-chemistry-study-of-decoherence-effects-1801.06137"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ehrenfest-statistical-dynamics-in-chemistry-study-of-decoherence-effects-1801.06137"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-excitations-from-exact-and-approximate-ensemble-kohn-sham-theory-1801.06314</loc><lastmod>2018-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-excitations-from-exact-and-approximate-ensemble-kohn-sham-theory-1801.06314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-excitations-from-exact-and-approximate-ensemble-kohn-sham-theory-1801.06314"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-ligand-dissociation-energies-in-large-transition-metal-complexes-1801.06584</loc><lastmod>2018-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-ligand-dissociation-energies-in-large-transition-metal-complexes-1801.06584"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-ligand-dissociation-energies-in-large-transition-metal-complexes-1801.06584"/></url>
<url><loc>https://scifaro.com/en/abs/anisotropy-enhanced-x-ray-scattering-from-solvated-transition-metal-complexes-1801.06615</loc><lastmod>2018-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anisotropy-enhanced-x-ray-scattering-from-solvated-transition-metal-complexes-1801.06615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anisotropy-enhanced-x-ray-scattering-from-solvated-transition-metal-complexes-1801.06615"/></url>
<url><loc>https://scifaro.com/en/abs/a-walk-through-the-approximations-of-ab-initio-multiple-spawning-1801.06639</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-walk-through-the-approximations-of-ab-initio-multiple-spawning-1801.06639"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-walk-through-the-approximations-of-ab-initio-multiple-spawning-1801.06639"/></url>
<url><loc>https://scifaro.com/en/abs/entangled-photonic-nuclear-molecular-dynamics-of-lif-in-quantum-optical-cavities-1801.07335</loc><lastmod>2018-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entangled-photonic-nuclear-molecular-dynamics-of-lif-in-quantum-optical-cavities-1801.07335"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entangled-photonic-nuclear-molecular-dynamics-of-lif-in-quantum-optical-cavities-1801.07335"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-mechanism-of-lytic-polysaccharide-monooxygenases-1801.07696</loc><lastmod>2018-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-mechanism-of-lytic-polysaccharide-monooxygenases-1801.07696"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-mechanism-of-lytic-polysaccharide-monooxygenases-1801.07696"/></url>
<url><loc>https://scifaro.com/en/abs/improving-accuracy-of-electrochemical-capacitance-and-solvation-energetics-in-first-principles-calculations-1801.07705</loc><lastmod>2018-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-accuracy-of-electrochemical-capacitance-and-solvation-energetics-in-first-principles-calculations-1801.07705"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-accuracy-of-electrochemical-capacitance-and-solvation-energetics-in-first-principles-calculations-1801.07705"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-internal-motions-and-molecular-geometry-on-the-nmr-relaxation-of-hydrocarbons-1801.07803</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-internal-motions-and-molecular-geometry-on-the-nmr-relaxation-of-hydrocarbons-1801.07803"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-internal-motions-and-molecular-geometry-on-the-nmr-relaxation-of-hydrocarbons-1801.07803"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-tensorflow-to-recognition-of-visualized-results-of-fragment-molecular-orbital-fmo-calculations-1801.07972</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-tensorflow-to-recognition-of-visualized-results-of-fragment-molecular-orbital-fmo-calculations-1801.07972"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-tensorflow-to-recognition-of-visualized-results-of-fragment-molecular-orbital-fmo-calculations-1801.07972"/></url>
<url><loc>https://scifaro.com/en/abs/strontium-and-barium-in-aqueous-solution-and-a-potassium-channel-binding-site-1801.08078</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strontium-and-barium-in-aqueous-solution-and-a-potassium-channel-binding-site-1801.08078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strontium-and-barium-in-aqueous-solution-and-a-potassium-channel-binding-site-1801.08078"/></url>
<url><loc>https://scifaro.com/en/abs/multiphoton-photoelectron-circular-dichroism-of-limonene-with-independent-polarization-state-control-of-the-bound-bound-and-bound-continuum-transitions-1801.08394</loc><lastmod>2018-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiphoton-photoelectron-circular-dichroism-of-limonene-with-independent-polarization-state-control-of-the-bound-bound-and-bound-continuum-transitions-1801.08394"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiphoton-photoelectron-circular-dichroism-of-limonene-with-independent-polarization-state-control-of-the-bound-bound-and-bound-continuum-transitions-1801.08394"/></url>
<url><loc>https://scifaro.com/en/abs/fluorographene-with-impurities-as-a-biomimetic-light-harvesting-medium-1801.08509</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fluorographene-with-impurities-as-a-biomimetic-light-harvesting-medium-1801.08509"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fluorographene-with-impurities-as-a-biomimetic-light-harvesting-medium-1801.08509"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-analysis-of-semiclassical-dispersion-corrections-1801.08580</loc><lastmod>2018-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-analysis-of-semiclassical-dispersion-corrections-1801.08580"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-analysis-of-semiclassical-dispersion-corrections-1801.08580"/></url>
<url><loc>https://scifaro.com/en/abs/recognizing-local-and-global-structural-motifs-at-the-atomic-scale-1801.08633</loc><lastmod>2018-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recognizing-local-and-global-structural-motifs-at-the-atomic-scale-1801.08633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recognizing-local-and-global-structural-motifs-at-the-atomic-scale-1801.08633"/></url>
<url><loc>https://scifaro.com/en/abs/strong-laser-alignment-of-solvent-solute-aggregates-in-the-gas-phase-1801.08789</loc><lastmod>2018-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-laser-alignment-of-solvent-solute-aggregates-in-the-gas-phase-1801.08789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-laser-alignment-of-solvent-solute-aggregates-in-the-gas-phase-1801.08789"/></url>
<url><loc>https://scifaro.com/en/abs/identification-of-the-fragment-of-the-1-methylpyrene-cation-by-mid-ir-spectroscopy-1801.08844</loc><lastmod>2018-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-of-the-fragment-of-the-1-methylpyrene-cation-by-mid-ir-spectroscopy-1801.08844"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-of-the-fragment-of-the-1-methylpyrene-cation-by-mid-ir-spectroscopy-1801.08844"/></url>
<url><loc>https://scifaro.com/en/abs/product-interactions-and-feedback-in-diffusion-controlled-reactions-1801.08902</loc><lastmod>2018-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/product-interactions-and-feedback-in-diffusion-controlled-reactions-1801.08902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/product-interactions-and-feedback-in-diffusion-controlled-reactions-1801.08902"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-of-lithium-ion-transport-in-a-model-solid-electrolyte-interphase-1801.08907</loc><lastmod>2018-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-of-lithium-ion-transport-in-a-model-solid-electrolyte-interphase-1801.08907"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-of-lithium-ion-transport-in-a-model-solid-electrolyte-interphase-1801.08907"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-ion-pairing-in-high-salt-concentration-electrolytes-using-classical-molecular-dynamics-simulations-and-its-implications-for-nonaqueous-li-o-2-batteries-1801.09130</loc><lastmod>2018-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-ion-pairing-in-high-salt-concentration-electrolytes-using-classical-molecular-dynamics-simulations-and-its-implications-for-nonaqueous-li-o-2-batteries-1801.09130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-ion-pairing-in-high-salt-concentration-electrolytes-using-classical-molecular-dynamics-simulations-and-its-implications-for-nonaqueous-li-o-2-batteries-1801.09130"/></url>
<url><loc>https://scifaro.com/en/abs/water-agglomerates-on-fe3o4-001-1801.09601</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-agglomerates-on-fe3o4-001-1801.09601"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-agglomerates-on-fe3o4-001-1801.09601"/></url>
<url><loc>https://scifaro.com/en/abs/density-wavefunction-mapping-in-degenerate-current-density-functional-theory-1801.09606</loc><lastmod>2018-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-wavefunction-mapping-in-degenerate-current-density-functional-theory-1801.09606"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-wavefunction-mapping-in-degenerate-current-density-functional-theory-1801.09606"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-interaction-strength-interpolation-formulas-for-gold-and-silver-clusters-1801.09869</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-interaction-strength-interpolation-formulas-for-gold-and-silver-clusters-1801.09869"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-interaction-strength-interpolation-formulas-for-gold-and-silver-clusters-1801.09869"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-chemical-model-for-h2-o2-combustion-developed-through-a-community-workflow-1801.10093</loc><lastmod>2018-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-chemical-model-for-h2-o2-combustion-developed-through-a-community-workflow-1801.10093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-chemical-model-for-h2-o2-combustion-developed-through-a-community-workflow-1801.10093"/></url>
<url><loc>https://scifaro.com/en/abs/non-orthogonal-multi-slater-determinant-expansions-in-auxiliary-field-quantum-monte-carlo-1801.10307</loc><lastmod>2018-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-orthogonal-multi-slater-determinant-expansions-in-auxiliary-field-quantum-monte-carlo-1801.10307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-orthogonal-multi-slater-determinant-expansions-in-auxiliary-field-quantum-monte-carlo-1801.10307"/></url>
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<url><loc>https://scifaro.com/en/abs/optimized-cell-geometry-for-buffer-gas-cooled-molecular-beam-sources-1801.10586</loc><lastmod>2018-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimized-cell-geometry-for-buffer-gas-cooled-molecular-beam-sources-1801.10586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimized-cell-geometry-for-buffer-gas-cooled-molecular-beam-sources-1801.10586"/></url>
<url><loc>https://scifaro.com/en/abs/epr-imaging-of-metallic-lithium-1802.00025</loc><lastmod>2018-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/epr-imaging-of-metallic-lithium-1802.00025"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/epr-imaging-of-metallic-lithium-1802.00025"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-accuracy-of-retinal-protonated-schiff-base-models-1802.00096</loc><lastmod>2018-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-accuracy-of-retinal-protonated-schiff-base-models-1802.00096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-accuracy-of-retinal-protonated-schiff-base-models-1802.00096"/></url>
<url><loc>https://scifaro.com/en/abs/properties-of-coplanar-periodic-electrodes-in-confined-spaces-case-of-two-dimensional-diffusion-1802.00120</loc><lastmod>2018-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/properties-of-coplanar-periodic-electrodes-in-confined-spaces-case-of-two-dimensional-diffusion-1802.00120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/properties-of-coplanar-periodic-electrodes-in-confined-spaces-case-of-two-dimensional-diffusion-1802.00120"/></url>
<url><loc>https://scifaro.com/en/abs/comparison-of-permutationally-invariant-polynomials-neural-networks-and-gaussian-approximation-potentials-in-representing-water-interactions-through-many-body-expansions-1802.00564</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparison-of-permutationally-invariant-polynomials-neural-networks-and-gaussian-approximation-potentials-in-representing-water-interactions-through-many-body-expansions-1802.00564"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparison-of-permutationally-invariant-polynomials-neural-networks-and-gaussian-approximation-potentials-in-representing-water-interactions-through-many-body-expansions-1802.00564"/></url>
<url><loc>https://scifaro.com/en/abs/potential-energy-surfaces-of-the-low-lying-electronic-states-of-the-li-lics-system-1802.00601</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/potential-energy-surfaces-of-the-low-lying-electronic-states-of-the-li-lics-system-1802.00601"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/potential-energy-surfaces-of-the-low-lying-electronic-states-of-the-li-lics-system-1802.00601"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-correction-to-thermodynamic-properties-of-li-2-na-2-and-cs-2-dimers-1802.00616</loc><lastmod>2018-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-correction-to-thermodynamic-properties-of-li-2-na-2-and-cs-2-dimers-1802.00616"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-correction-to-thermodynamic-properties-of-li-2-na-2-and-cs-2-dimers-1802.00616"/></url>
<url><loc>https://scifaro.com/en/abs/spin-isomer-conversion-of-water-at-room-temperature-and-quantum-rotor-induced-nuclear-polarization-in-the-water-endofullerene-h-2-o-c-60-1802.00676</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-isomer-conversion-of-water-at-room-temperature-and-quantum-rotor-induced-nuclear-polarization-in-the-water-endofullerene-h-2-o-c-60-1802.00676"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-isomer-conversion-of-water-at-room-temperature-and-quantum-rotor-induced-nuclear-polarization-in-the-water-endofullerene-h-2-o-c-60-1802.00676"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-description-of-carbene-metal-amides-1802.00804</loc><lastmod>2018-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-description-of-carbene-metal-amides-1802.00804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-description-of-carbene-metal-amides-1802.00804"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-modeling-of-wigner-intracule-functionals-for-two-electrons-in-one-dimension-1802.00873</loc><lastmod>2019-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-modeling-of-wigner-intracule-functionals-for-two-electrons-in-one-dimension-1802.00873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-modeling-of-wigner-intracule-functionals-for-two-electrons-in-one-dimension-1802.00873"/></url>
<url><loc>https://scifaro.com/en/abs/origin-of-the-size-dependence-of-the-equilibrium-van-der-waals-binding-between-nanostructures-1802.00975</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/origin-of-the-size-dependence-of-the-equilibrium-van-der-waals-binding-between-nanostructures-1802.00975"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/origin-of-the-size-dependence-of-the-equilibrium-van-der-waals-binding-between-nanostructures-1802.00975"/></url>
<url><loc>https://scifaro.com/en/abs/tangent-space-formulation-of-the-multi-configuration-time-dependent-hartree-equations-of-motion-the-projector-splitting-algorithm-revisited-1802.01058</loc><lastmod>2018-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tangent-space-formulation-of-the-multi-configuration-time-dependent-hartree-equations-of-motion-the-projector-splitting-algorithm-revisited-1802.01058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tangent-space-formulation-of-the-multi-configuration-time-dependent-hartree-equations-of-motion-the-projector-splitting-algorithm-revisited-1802.01058"/></url>
<url><loc>https://scifaro.com/en/abs/surface-tension-prediction-for-liquid-mixtures-1802.01648</loc><lastmod>2018-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-tension-prediction-for-liquid-mixtures-1802.01648"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-tension-prediction-for-liquid-mixtures-1802.01648"/></url>
<url><loc>https://scifaro.com/en/abs/interlocking-mechanism-between-molecular-gears-attached-to-surfaces-1802.01802</loc><lastmod>2018-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interlocking-mechanism-between-molecular-gears-attached-to-surfaces-1802.01802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interlocking-mechanism-between-molecular-gears-attached-to-surfaces-1802.01802"/></url>
<url><loc>https://scifaro.com/en/abs/non-local-kinetic-energy-functional-from-the-jellium-with-gap-model-applications-to-orbital-free-density-functional-theory-1802.02126</loc><lastmod>2018-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-local-kinetic-energy-functional-from-the-jellium-with-gap-model-applications-to-orbital-free-density-functional-theory-1802.02126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-local-kinetic-energy-functional-from-the-jellium-with-gap-model-applications-to-orbital-free-density-functional-theory-1802.02126"/></url>
<url><loc>https://scifaro.com/en/abs/restoring-size-consistency-of-approximate-functionals-constructed-from-the-adiabatic-connection-1802.02144</loc><lastmod>2018-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/restoring-size-consistency-of-approximate-functionals-constructed-from-the-adiabatic-connection-1802.02144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/restoring-size-consistency-of-approximate-functionals-constructed-from-the-adiabatic-connection-1802.02144"/></url>
<url><loc>https://scifaro.com/en/abs/surface-tension-prediction-for-pure-fluids-1802.02201</loc><lastmod>2018-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-tension-prediction-for-pure-fluids-1802.02201"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-tension-prediction-for-pure-fluids-1802.02201"/></url>
<url><loc>https://scifaro.com/en/abs/catalysis-by-metallic-nanoparticles-in-solution-thermosensitive-microgels-as-nanoreactors-1802.02335</loc><lastmod>2018-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catalysis-by-metallic-nanoparticles-in-solution-thermosensitive-microgels-as-nanoreactors-1802.02335"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catalysis-by-metallic-nanoparticles-in-solution-thermosensitive-microgels-as-nanoreactors-1802.02335"/></url>
<url><loc>https://scifaro.com/en/abs/clustering-in-complex-ionic-liquids-in-two-dimensions-1802.02357</loc><lastmod>2018-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/clustering-in-complex-ionic-liquids-in-two-dimensions-1802.02357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/clustering-in-complex-ionic-liquids-in-two-dimensions-1802.02357"/></url>
<url><loc>https://scifaro.com/en/abs/magnetic-isotope-effect-in-the-uranium-isotopes-separation-1802.02530</loc><lastmod>2018-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetic-isotope-effect-in-the-uranium-isotopes-separation-1802.02530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetic-isotope-effect-in-the-uranium-isotopes-separation-1802.02530"/></url>
<url><loc>https://scifaro.com/en/abs/fabrication-and-characterization-of-ph-responsive-nanoprobes-based-on-ion-current-rectification-1802.02570</loc><lastmod>2018-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fabrication-and-characterization-of-ph-responsive-nanoprobes-based-on-ion-current-rectification-1802.02570"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fabrication-and-characterization-of-ph-responsive-nanoprobes-based-on-ion-current-rectification-1802.02570"/></url>
<url><loc>https://scifaro.com/en/abs/transient-dynamics-of-electric-double-layer-capacitors-exact-expressions-within-the-debye-falkenhagen-approximation-1802.02777</loc><lastmod>2018-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transient-dynamics-of-electric-double-layer-capacitors-exact-expressions-within-the-debye-falkenhagen-approximation-1802.02777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transient-dynamics-of-electric-double-layer-capacitors-exact-expressions-within-the-debye-falkenhagen-approximation-1802.02777"/></url>
<url><loc>https://scifaro.com/en/abs/reweighted-autoencoded-variational-bayes-for-enhanced-sampling-rave-1802.03420</loc><lastmod>2018-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reweighted-autoencoded-variational-bayes-for-enhanced-sampling-rave-1802.03420"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reweighted-autoencoded-variational-bayes-for-enhanced-sampling-rave-1802.03420"/></url>
<url><loc>https://scifaro.com/en/abs/growth-modes-and-chiral-selectivity-of-single-walled-carbon-nanotubes-1802.04029</loc><lastmod>2018-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/growth-modes-and-chiral-selectivity-of-single-walled-carbon-nanotubes-1802.04029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/growth-modes-and-chiral-selectivity-of-single-walled-carbon-nanotubes-1802.04029"/></url>
<url><loc>https://scifaro.com/en/abs/frequency-adaptive-metadynamics-for-the-calculation-of-rare-event-kinetics-1802.04182</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frequency-adaptive-metadynamics-for-the-calculation-of-rare-event-kinetics-1802.04182"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frequency-adaptive-metadynamics-for-the-calculation-of-rare-event-kinetics-1802.04182"/></url>
<url><loc>https://scifaro.com/en/abs/universal-lower-bounds-on-the-kinetic-energy-of-electronic-systems-with-noncollinear-magnetism-1802.04238</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-lower-bounds-on-the-kinetic-energy-of-electronic-systems-with-noncollinear-magnetism-1802.04238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-lower-bounds-on-the-kinetic-energy-of-electronic-systems-with-noncollinear-magnetism-1802.04238"/></url>
<url><loc>https://scifaro.com/en/abs/spatially-resolved-fluorescence-detected-two-dimensional-electronic-spectroscopy-probes-varying-electronic-couplings-in-photosynthetic-bacteria-1802.04395</loc><lastmod>2018-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spatially-resolved-fluorescence-detected-two-dimensional-electronic-spectroscopy-probes-varying-electronic-couplings-in-photosynthetic-bacteria-1802.04395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spatially-resolved-fluorescence-detected-two-dimensional-electronic-spectroscopy-probes-varying-electronic-couplings-in-photosynthetic-bacteria-1802.04395"/></url>
<url><loc>https://scifaro.com/en/abs/x-ray-sum-frequency-generation-direct-imaging-of-ultrafast-electron-dynamics-1802.04421</loc><lastmod>2018-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/x-ray-sum-frequency-generation-direct-imaging-of-ultrafast-electron-dynamics-1802.04421"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/x-ray-sum-frequency-generation-direct-imaging-of-ultrafast-electron-dynamics-1802.04421"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-conversion-of-anti-phase-spin-order-of-protons-into-15n-magnetization-using-slic-sabre-1802.04471</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-conversion-of-anti-phase-spin-order-of-protons-into-15n-magnetization-using-slic-sabre-1802.04471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-conversion-of-anti-phase-spin-order-of-protons-into-15n-magnetization-using-slic-sabre-1802.04471"/></url>
<url><loc>https://scifaro.com/en/abs/flexible-scheme-to-truncate-the-hierarchy-of-pure-states-1802.04530</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/flexible-scheme-to-truncate-the-hierarchy-of-pure-states-1802.04530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/flexible-scheme-to-truncate-the-hierarchy-of-pure-states-1802.04530"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-triplet-state-shelving-in-organic-photovoltaics-single-chain-aggregates-of-poly-3-hexylthiophene-versus-mesoscopic-multichain-aggregates-1802.04565</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-triplet-state-shelving-in-organic-photovoltaics-single-chain-aggregates-of-poly-3-hexylthiophene-versus-mesoscopic-multichain-aggregates-1802.04565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-triplet-state-shelving-in-organic-photovoltaics-single-chain-aggregates-of-poly-3-hexylthiophene-versus-mesoscopic-multichain-aggregates-1802.04565"/></url>
<url><loc>https://scifaro.com/en/abs/determining-the-true-optical-gap-in-a-high-performance-organic-photovoltaic-polymer-using-single-molecule-spectroscopy-1802.04570</loc><lastmod>2018-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determining-the-true-optical-gap-in-a-high-performance-organic-photovoltaic-polymer-using-single-molecule-spectroscopy-1802.04570"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determining-the-true-optical-gap-in-a-high-performance-organic-photovoltaic-polymer-using-single-molecule-spectroscopy-1802.04570"/></url>
<url><loc>https://scifaro.com/en/abs/full-dimensional-quantum-dynamics-of-sio-in-collision-with-h-2-1802.04702</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-dimensional-quantum-dynamics-of-sio-in-collision-with-h-2-1802.04702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-dimensional-quantum-dynamics-of-sio-in-collision-with-h-2-1802.04702"/></url>
<url><loc>https://scifaro.com/en/abs/data-driven-charge-transfer-atlas-provides-topological-view-of-electronic-structure-properties-for-arbitrary-proteins-complexes-1802.05192</loc><lastmod>2019-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/data-driven-charge-transfer-atlas-provides-topological-view-of-electronic-structure-properties-for-arbitrary-proteins-complexes-1802.05192"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/data-driven-charge-transfer-atlas-provides-topological-view-of-electronic-structure-properties-for-arbitrary-proteins-complexes-1802.05192"/></url>
<url><loc>https://scifaro.com/en/abs/new-approach-for-multiconfigurational-exchange-correlation-functional-1802.05265</loc><lastmod>2018-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-approach-for-multiconfigurational-exchange-correlation-functional-1802.05265"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-approach-for-multiconfigurational-exchange-correlation-functional-1802.05265"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-dependent-conformations-of-exciton-coupled-cy3-dimers-in-double-stranded-dna-1802.05298</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-dependent-conformations-of-exciton-coupled-cy3-dimers-in-double-stranded-dna-1802.05298"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-dependent-conformations-of-exciton-coupled-cy3-dimers-in-double-stranded-dna-1802.05298"/></url>
<url><loc>https://scifaro.com/en/abs/minimum-energy-paths-and-transition-states-by-curve-optimization-1802.05669</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/minimum-energy-paths-and-transition-states-by-curve-optimization-1802.05669"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/minimum-energy-paths-and-transition-states-by-curve-optimization-1802.05669"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-properties-of-a-molecule-energy-linear-momentum-angular-momentum-and-boost-momentum-to-order-1-c-2-1802.05723</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-properties-of-a-molecule-energy-linear-momentum-angular-momentum-and-boost-momentum-to-order-1-c-2-1802.05723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-properties-of-a-molecule-energy-linear-momentum-angular-momentum-and-boost-momentum-to-order-1-c-2-1802.05723"/></url>
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<url><loc>https://scifaro.com/en/abs/analytic-second-order-energy-derivatives-in-natural-orbital-functional-theory-1802.05887</loc><lastmod>2018-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-second-order-energy-derivatives-in-natural-orbital-functional-theory-1802.05887"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-second-order-energy-derivatives-in-natural-orbital-functional-theory-1802.05887"/></url>
<url><loc>https://scifaro.com/en/abs/torsional-potentials-of-glyoxal-oxalyl-halides-and-their-thiocarbonyl-derivatives-challenges-for-popular-density-functional-approximations-1802.06033</loc><lastmod>2020-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/torsional-potentials-of-glyoxal-oxalyl-halides-and-their-thiocarbonyl-derivatives-challenges-for-popular-density-functional-approximations-1802.06033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/torsional-potentials-of-glyoxal-oxalyl-halides-and-their-thiocarbonyl-derivatives-challenges-for-popular-density-functional-approximations-1802.06033"/></url>
<url><loc>https://scifaro.com/en/abs/free-energy-landscape-of-sodium-solvation-into-graphite-1802.06689</loc><lastmod>2018-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/free-energy-landscape-of-sodium-solvation-into-graphite-1802.06689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/free-energy-landscape-of-sodium-solvation-into-graphite-1802.06689"/></url>
<url><loc>https://scifaro.com/en/abs/exploration-of-reduced-scaling-formulation-of-equation-of-motion-coupled-cluster-singles-and-doubles-based-on-state-averaged-pair-natural-orbitals-1802.06738</loc><lastmod>2020-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploration-of-reduced-scaling-formulation-of-equation-of-motion-coupled-cluster-singles-and-doubles-based-on-state-averaged-pair-natural-orbitals-1802.06738"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploration-of-reduced-scaling-formulation-of-equation-of-motion-coupled-cluster-singles-and-doubles-based-on-state-averaged-pair-natural-orbitals-1802.06738"/></url>
<url><loc>https://scifaro.com/en/abs/resonance-dynamics-of-dco-widetilde-x-2a-simulated-with-the-dynamically-pruned-discrete-variable-representation-dp-dvr-1802.07050</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resonance-dynamics-of-dco-widetilde-x-2a-simulated-with-the-dynamically-pruned-discrete-variable-representation-dp-dvr-1802.07050"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resonance-dynamics-of-dco-widetilde-x-2a-simulated-with-the-dynamically-pruned-discrete-variable-representation-dp-dvr-1802.07050"/></url>
<url><loc>https://scifaro.com/en/abs/richmol-a-general-variational-approach-for-rovibrational-molecular-dynamics-in-external-electric-fields-1802.07603</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/richmol-a-general-variational-approach-for-rovibrational-molecular-dynamics-in-external-electric-fields-1802.07603"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/richmol-a-general-variational-approach-for-rovibrational-molecular-dynamics-in-external-electric-fields-1802.07603"/></url>
<url><loc>https://scifaro.com/en/abs/climbing-the-rotational-ladder-to-chirality-1802.07803</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/climbing-the-rotational-ladder-to-chirality-1802.07803"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/climbing-the-rotational-ladder-to-chirality-1802.07803"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-database-for-bio-molecule-tight-binding-model-derived-from-thousands-of-proteins-1802.07873</loc><lastmod>2018-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-database-for-bio-molecule-tight-binding-model-derived-from-thousands-of-proteins-1802.07873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-database-for-bio-molecule-tight-binding-model-derived-from-thousands-of-proteins-1802.07873"/></url>
<url><loc>https://scifaro.com/en/abs/deepcg-constructing-coarse-grained-models-via-deep-neural-networks-1802.08549</loc><lastmod>2018-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deepcg-constructing-coarse-grained-models-via-deep-neural-networks-1802.08549"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deepcg-constructing-coarse-grained-models-via-deep-neural-networks-1802.08549"/></url>
<url><loc>https://scifaro.com/en/abs/interplay-of-spin-dependent-delocalization-and-magnetic-anisotropy-in-the-ground-and-excited-states-of-gd-2-c-78-1-and-gd-2-c-80-1-1802.09068</loc><lastmod>2018-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interplay-of-spin-dependent-delocalization-and-magnetic-anisotropy-in-the-ground-and-excited-states-of-gd-2-c-78-1-and-gd-2-c-80-1-1802.09068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interplay-of-spin-dependent-delocalization-and-magnetic-anisotropy-in-the-ground-and-excited-states-of-gd-2-c-78-1-and-gd-2-c-80-1-1802.09068"/></url>
<url><loc>https://scifaro.com/en/abs/towards-exact-molecular-dynamics-simulations-with-machine-learned-force-fields-1802.09238</loc><lastmod>2018-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-exact-molecular-dynamics-simulations-with-machine-learned-force-fields-1802.09238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-exact-molecular-dynamics-simulations-with-machine-learned-force-fields-1802.09238"/></url>
<url><loc>https://scifaro.com/en/abs/fast-and-accurate-quantum-monte-carlo-for-molecular-crystals-1802.09781</loc><lastmod>2018-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-and-accurate-quantum-monte-carlo-for-molecular-crystals-1802.09781"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-and-accurate-quantum-monte-carlo-for-molecular-crystals-1802.09781"/></url>
<url><loc>https://scifaro.com/en/abs/simultaneous-orientational-and-conformational-molecular-dynamics-in-solid-1-1-2-trichloroethane-1802.09857</loc><lastmod>2018-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simultaneous-orientational-and-conformational-molecular-dynamics-in-solid-1-1-2-trichloroethane-1802.09857"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simultaneous-orientational-and-conformational-molecular-dynamics-in-solid-1-1-2-trichloroethane-1802.09857"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-extended-halogen-bonding-between-fully-fluorinated-aromatic-molecules-kawai-et-al-acs-nano-2015-9-2574-1802.09995</loc><lastmod>2018-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-extended-halogen-bonding-between-fully-fluorinated-aromatic-molecules-kawai-et-al-acs-nano-2015-9-2574-1802.09995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-extended-halogen-bonding-between-fully-fluorinated-aromatic-molecules-kawai-et-al-acs-nano-2015-9-2574-1802.09995"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-radical-molecular-beams-by-skimmer-cooling-1802.10179</loc><lastmod>2018-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-radical-molecular-beams-by-skimmer-cooling-1802.10179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-radical-molecular-beams-by-skimmer-cooling-1802.10179"/></url>
<url><loc>https://scifaro.com/en/abs/nmr-spin-rotation-relaxation-and-diffusion-of-methane-1802.10191</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nmr-spin-rotation-relaxation-and-diffusion-of-methane-1802.10191"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nmr-spin-rotation-relaxation-and-diffusion-of-methane-1802.10191"/></url>
<url><loc>https://scifaro.com/en/abs/bound-and-continuum-embedded-states-of-cyanopolyyne-anions-1802.10216</loc><lastmod>2018-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bound-and-continuum-embedded-states-of-cyanopolyyne-anions-1802.10216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bound-and-continuum-embedded-states-of-cyanopolyyne-anions-1802.10216"/></url>
<url><loc>https://scifaro.com/en/abs/a-van-der-waals-dft-study-of-chain-length-dependence-of-alkanethiol-adsorption-on-au-111-physisorption-vs-chemisorption-1802.10298</loc><lastmod>2018-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-van-der-waals-dft-study-of-chain-length-dependence-of-alkanethiol-adsorption-on-au-111-physisorption-vs-chemisorption-1802.10298"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-van-der-waals-dft-study-of-chain-length-dependence-of-alkanethiol-adsorption-on-au-111-physisorption-vs-chemisorption-1802.10298"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-in-classical-molecular-dynamics-simulations-of-met-enkephalin-improving-traditional-force-field-with-data-driven-models-1802.10358</loc><lastmod>2018-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-in-classical-molecular-dynamics-simulations-of-met-enkephalin-improving-traditional-force-field-with-data-driven-models-1802.10358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-in-classical-molecular-dynamics-simulations-of-met-enkephalin-improving-traditional-force-field-with-data-driven-models-1802.10358"/></url>
<url><loc>https://scifaro.com/en/abs/towards-open-boundary-molecular-dynamics-simulation-of-ionic-liquids-1802.10413</loc><lastmod>2018-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-open-boundary-molecular-dynamics-simulation-of-ionic-liquids-1802.10413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-open-boundary-molecular-dynamics-simulation-of-ionic-liquids-1802.10413"/></url>
<url><loc>https://scifaro.com/en/abs/davydov-type-excitonic-effects-on-the-absorption-spectra-of-parallel-stacked-and-herringbone-aggregates-of-pentacene-time-dependent-density-functional-theory-and-time-dependent-density-functional-tight-binding-1803.00056</loc><lastmod>2018-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/davydov-type-excitonic-effects-on-the-absorption-spectra-of-parallel-stacked-and-herringbone-aggregates-of-pentacene-time-dependent-density-functional-theory-and-time-dependent-density-functional-tight-binding-1803.00056"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/davydov-type-excitonic-effects-on-the-absorption-spectra-of-parallel-stacked-and-herringbone-aggregates-of-pentacene-time-dependent-density-functional-theory-and-time-dependent-density-functional-tight-binding-1803.00056"/></url>
<url><loc>https://scifaro.com/en/abs/electron-scattering-in-time-dependent-density-functional-theory-1803.00668</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-scattering-in-time-dependent-density-functional-theory-1803.00668"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-scattering-in-time-dependent-density-functional-theory-1803.00668"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-quantum-effects-enter-the-mainstream-1803.01037</loc><lastmod>2018-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-quantum-effects-enter-the-mainstream-1803.01037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-quantum-effects-enter-the-mainstream-1803.01037"/></url>
<url><loc>https://scifaro.com/en/abs/improved-charge-transfer-multiplet-method-to-simulate-m-and-l-edge-x-ray-absorption-spectra-of-metal-centered-excited-states-1803.01067</loc><lastmod>2018-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-charge-transfer-multiplet-method-to-simulate-m-and-l-edge-x-ray-absorption-spectra-of-metal-centered-excited-states-1803.01067"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-charge-transfer-multiplet-method-to-simulate-m-and-l-edge-x-ray-absorption-spectra-of-metal-centered-excited-states-1803.01067"/></url>
<url><loc>https://scifaro.com/en/abs/high-accuracy-water-potential-energy-surface-for-the-calculation-of-infrared-spectra-1803.01124</loc><lastmod>2018-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-accuracy-water-potential-energy-surface-for-the-calculation-of-infrared-spectra-1803.01124"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-accuracy-water-potential-energy-surface-for-the-calculation-of-infrared-spectra-1803.01124"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-correlated-excitations-in-bimolecular-collisions-1803.01210</loc><lastmod>2018-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-correlated-excitations-in-bimolecular-collisions-1803.01210"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-correlated-excitations-in-bimolecular-collisions-1803.01210"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-electron-affinities-and-orbital-energies-of-anions-from-a-non-empirically-tuned-range-separated-density-functional-theory-approach-1803.01218</loc><lastmod>2019-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-electron-affinities-and-orbital-energies-of-anions-from-a-non-empirically-tuned-range-separated-density-functional-theory-approach-1803.01218"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-electron-affinities-and-orbital-energies-of-anions-from-a-non-empirically-tuned-range-separated-density-functional-theory-approach-1803.01218"/></url>
<url><loc>https://scifaro.com/en/abs/sulfate-radical-oxidation-of-aromatic-contaminants-a-detailed-assessment-of-density-functional-theory-and-high-level-quantum-chemical-methods-1803.01227</loc><lastmod>2018-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sulfate-radical-oxidation-of-aromatic-contaminants-a-detailed-assessment-of-density-functional-theory-and-high-level-quantum-chemical-methods-1803.01227"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sulfate-radical-oxidation-of-aromatic-contaminants-a-detailed-assessment-of-density-functional-theory-and-high-level-quantum-chemical-methods-1803.01227"/></url>
<url><loc>https://scifaro.com/en/abs/xdft-an-efficient-first-principles-method-for-neutral-excitations-in-molecules-1803.01421</loc><lastmod>2023-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/xdft-an-efficient-first-principles-method-for-neutral-excitations-in-molecules-1803.01421"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/xdft-an-efficient-first-principles-method-for-neutral-excitations-in-molecules-1803.01421"/></url>
<url><loc>https://scifaro.com/en/abs/inclusion-of-machine-learning-kernel-ridge-regression-potential-energy-surfaces-in-on-the-fly-nonadiabatic-molecular-dynamics-simulation-1803.01556</loc><lastmod>2018-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inclusion-of-machine-learning-kernel-ridge-regression-potential-energy-surfaces-in-on-the-fly-nonadiabatic-molecular-dynamics-simulation-1803.01556"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inclusion-of-machine-learning-kernel-ridge-regression-potential-energy-surfaces-in-on-the-fly-nonadiabatic-molecular-dynamics-simulation-1803.01556"/></url>
<url><loc>https://scifaro.com/en/abs/halogen-bonding-interactions-revised-benchmarks-and-a-new-assessment-of-exchange-vs-dispersion-1803.01994</loc><lastmod>2018-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/halogen-bonding-interactions-revised-benchmarks-and-a-new-assessment-of-exchange-vs-dispersion-1803.01994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/halogen-bonding-interactions-revised-benchmarks-and-a-new-assessment-of-exchange-vs-dispersion-1803.01994"/></url>
<url><loc>https://scifaro.com/en/abs/the-importance-of-short-and-long-range-exchange-on-various-excited-state-properties-of-dna-monomers-stacked-complexes-and-watson-crick-pairs-1803.01996</loc><lastmod>2018-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-importance-of-short-and-long-range-exchange-on-various-excited-state-properties-of-dna-monomers-stacked-complexes-and-watson-crick-pairs-1803.01996"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-importance-of-short-and-long-range-exchange-on-various-excited-state-properties-of-dna-monomers-stacked-complexes-and-watson-crick-pairs-1803.01996"/></url>
<url><loc>https://scifaro.com/en/abs/cage-occupancies-of-methane-hydrates-results-from-synchrotron-x-ray-diffraction-and-raman-spectroscopy-1803.02244</loc><lastmod>2018-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cage-occupancies-of-methane-hydrates-results-from-synchrotron-x-ray-diffraction-and-raman-spectroscopy-1803.02244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cage-occupancies-of-methane-hydrates-results-from-synchrotron-x-ray-diffraction-and-raman-spectroscopy-1803.02244"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-treatment-of-molecular-strong-field-ionization-1803.02449</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-treatment-of-molecular-strong-field-ionization-1803.02449"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-treatment-of-molecular-strong-field-ionization-1803.02449"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-electrostatics-the-poisson-boltzmann-equation-1803.02507</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-electrostatics-the-poisson-boltzmann-equation-1803.02507"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-electrostatics-the-poisson-boltzmann-equation-1803.02507"/></url>
<url><loc>https://scifaro.com/en/abs/non-radiative-decay-and-stability-of-n-heterocyclic-carbene-iridium-iii-complexes-1803.02930</loc><lastmod>2018-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-radiative-decay-and-stability-of-n-heterocyclic-carbene-iridium-iii-complexes-1803.02930"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-radiative-decay-and-stability-of-n-heterocyclic-carbene-iridium-iii-complexes-1803.02930"/></url>
<url><loc>https://scifaro.com/en/abs/a-theoretical-interpretation-of-variance-based-convergence-criteria-in-perturbation-based-theories-1803.03123</loc><lastmod>2018-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-theoretical-interpretation-of-variance-based-convergence-criteria-in-perturbation-based-theories-1803.03123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-theoretical-interpretation-of-variance-based-convergence-criteria-in-perturbation-based-theories-1803.03123"/></url>
<url><loc>https://scifaro.com/en/abs/perturbational-non-canonical-theory-of-molecular-orbitals-and-its-applications-1803.03156</loc><lastmod>2018-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perturbational-non-canonical-theory-of-molecular-orbitals-and-its-applications-1803.03156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perturbational-non-canonical-theory-of-molecular-orbitals-and-its-applications-1803.03156"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-and-qed-effects-in-the-fundamental-vibration-of-t-2-1803.03161</loc><lastmod>2018-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-and-qed-effects-in-the-fundamental-vibration-of-t-2-1803.03161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-and-qed-effects-in-the-fundamental-vibration-of-t-2-1803.03161"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-validity-of-the-assumption-of-local-equilibrium-in-non-equilibrium-thermodynamics-1803.03398</loc><lastmod>2018-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-validity-of-the-assumption-of-local-equilibrium-in-non-equilibrium-thermodynamics-1803.03398"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-validity-of-the-assumption-of-local-equilibrium-in-non-equilibrium-thermodynamics-1803.03398"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-calculation-of-open-quantum-system-dynamics-and-time-resolved-spectroscopy-with-distributed-memory-heom-dm-heom-1803.03498</loc><lastmod>2018-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-calculation-of-open-quantum-system-dynamics-and-time-resolved-spectroscopy-with-distributed-memory-heom-dm-heom-1803.03498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-calculation-of-open-quantum-system-dynamics-and-time-resolved-spectroscopy-with-distributed-memory-heom-dm-heom-1803.03498"/></url>
<url><loc>https://scifaro.com/en/abs/switched-wave-packets-with-spectrally-truncated-chirped-pulses-1803.03953</loc><lastmod>2018-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/switched-wave-packets-with-spectrally-truncated-chirped-pulses-1803.03953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/switched-wave-packets-with-spectrally-truncated-chirped-pulses-1803.03953"/></url>
<url><loc>https://scifaro.com/en/abs/variations-of-the-hydrogen-bonding-and-of-the-hydrogen-bonded-network-in-ethanol-water-mixtures-on-cooling-1803.03959</loc><lastmod>2019-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variations-of-the-hydrogen-bonding-and-of-the-hydrogen-bonded-network-in-ethanol-water-mixtures-on-cooling-1803.03959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variations-of-the-hydrogen-bonding-and-of-the-hydrogen-bonded-network-in-ethanol-water-mixtures-on-cooling-1803.03959"/></url>
<url><loc>https://scifaro.com/en/abs/green-functions-and-self-consistency-insights-from-the-spherium-model-1803.04234</loc><lastmod>2018-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/green-functions-and-self-consistency-insights-from-the-spherium-model-1803.04234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/green-functions-and-self-consistency-insights-from-the-spherium-model-1803.04234"/></url>
<url><loc>https://scifaro.com/en/abs/properties-of-confined-ammonium-nitrate-ionic-liquids-1803.04372</loc><lastmod>2018-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/properties-of-confined-ammonium-nitrate-ionic-liquids-1803.04372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/properties-of-confined-ammonium-nitrate-ionic-liquids-1803.04372"/></url>
<url><loc>https://scifaro.com/en/abs/transferable-molecular-charge-assignment-using-deep-neural-networks-1803.04395</loc><lastmod>2018-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transferable-molecular-charge-assignment-using-deep-neural-networks-1803.04395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transferable-molecular-charge-assignment-using-deep-neural-networks-1803.04395"/></url>
<url><loc>https://scifaro.com/en/abs/tunneling-splittings-from-path-integral-molecular-dynamics-using-a-langevin-thermostat-1803.04433</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tunneling-splittings-from-path-integral-molecular-dynamics-using-a-langevin-thermostat-1803.04433"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tunneling-splittings-from-path-integral-molecular-dynamics-using-a-langevin-thermostat-1803.04433"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-polarisation-hemisphere-switch-in-c60-caused-by-the-motion-of-an-internal-point-charge-with-an-electrostatic-and-quantum-chemistry-solutions-1803.04512</loc><lastmod>2018-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-polarisation-hemisphere-switch-in-c60-caused-by-the-motion-of-an-internal-point-charge-with-an-electrostatic-and-quantum-chemistry-solutions-1803.04512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-polarisation-hemisphere-switch-in-c60-caused-by-the-motion-of-an-internal-point-charge-with-an-electrostatic-and-quantum-chemistry-solutions-1803.04512"/></url>
<url><loc>https://scifaro.com/en/abs/correlated-dynamics-in-aqueous-proton-diffusion-1803.04735</loc><lastmod>2018-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlated-dynamics-in-aqueous-proton-diffusion-1803.04735"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlated-dynamics-in-aqueous-proton-diffusion-1803.04735"/></url>
<url><loc>https://scifaro.com/en/abs/non-perturbative-calculation-of-orbital-and-spin-effects-in-molecules-subject-to-non-uniform-magnetic-fields-1803.04776</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-perturbative-calculation-of-orbital-and-spin-effects-in-molecules-subject-to-non-uniform-magnetic-fields-1803.04776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-perturbative-calculation-of-orbital-and-spin-effects-in-molecules-subject-to-non-uniform-magnetic-fields-1803.04776"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-non-resonant-intermolecular-vibrational-energy-transfer-1803.04814</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-non-resonant-intermolecular-vibrational-energy-transfer-1803.04814"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-non-resonant-intermolecular-vibrational-energy-transfer-1803.04814"/></url>
<url><loc>https://scifaro.com/en/abs/quantitative-theoretical-analysis-of-lifetimes-and-decay-rates-relevant-in-laser-cooling-bah-1803.04849</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantitative-theoretical-analysis-of-lifetimes-and-decay-rates-relevant-in-laser-cooling-bah-1803.04849"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantitative-theoretical-analysis-of-lifetimes-and-decay-rates-relevant-in-laser-cooling-bah-1803.04849"/></url>
<url><loc>https://scifaro.com/en/abs/shape-resonances-of-be-and-mg-investigated-with-method-of-analytic-continuation-1803.05178</loc><lastmod>2018-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/shape-resonances-of-be-and-mg-investigated-with-method-of-analytic-continuation-1803.05178"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/shape-resonances-of-be-and-mg-investigated-with-method-of-analytic-continuation-1803.05178"/></url>
<url><loc>https://scifaro.com/en/abs/vapor-liquid-equilibrium-and-equation-of-state-of-two-dimensional-fluids-from-a-discrete-perturbation-theory-1803.05217</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vapor-liquid-equilibrium-and-equation-of-state-of-two-dimensional-fluids-from-a-discrete-perturbation-theory-1803.05217"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vapor-liquid-equilibrium-and-equation-of-state-of-two-dimensional-fluids-from-a-discrete-perturbation-theory-1803.05217"/></url>
<url><loc>https://scifaro.com/en/abs/site-selective-measurement-of-coupled-spin-pairs-in-an-organic-semiconductor-1803.05225</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/site-selective-measurement-of-coupled-spin-pairs-in-an-organic-semiconductor-1803.05225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/site-selective-measurement-of-coupled-spin-pairs-in-an-organic-semiconductor-1803.05225"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-effective-stochastic-potential-method-using-random-matrix-theory-for-efficient-conformational-sampling-of-semiconductor-nanoparticles-at-non-zero-temperatures-1803.05479</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-effective-stochastic-potential-method-using-random-matrix-theory-for-efficient-conformational-sampling-of-semiconductor-nanoparticles-at-non-zero-temperatures-1803.05479"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-effective-stochastic-potential-method-using-random-matrix-theory-for-efficient-conformational-sampling-of-semiconductor-nanoparticles-at-non-zero-temperatures-1803.05479"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-exact-continuous-mapping-of-fermions-1803.05561</loc><lastmod>2018-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-exact-continuous-mapping-of-fermions-1803.05561"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-exact-continuous-mapping-of-fermions-1803.05561"/></url>
<url><loc>https://scifaro.com/en/abs/multistate-metadynamics-for-automatic-exploration-of-conical-intersections-1803.05631</loc><lastmod>2018-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multistate-metadynamics-for-automatic-exploration-of-conical-intersections-1803.05631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multistate-metadynamics-for-automatic-exploration-of-conical-intersections-1803.05631"/></url>
<url><loc>https://scifaro.com/en/abs/halogen-bond-driven-self-assembly-of-perfluorocarbon-monolayers-1803.05672</loc><lastmod>2018-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/halogen-bond-driven-self-assembly-of-perfluorocarbon-monolayers-1803.05672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/halogen-bond-driven-self-assembly-of-perfluorocarbon-monolayers-1803.05672"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-the-tilde-a-tilde-x-bands-of-the-ethynyl-radical-near-1-48-mu-m-and-re-evaluation-of-tilde-x-state-energies-1803.05730</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-the-tilde-a-tilde-x-bands-of-the-ethynyl-radical-near-1-48-mu-m-and-re-evaluation-of-tilde-x-state-energies-1803.05730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-the-tilde-a-tilde-x-bands-of-the-ethynyl-radical-near-1-48-mu-m-and-re-evaluation-of-tilde-x-state-energies-1803.05730"/></url>
<url><loc>https://scifaro.com/en/abs/using-a-monomer-potential-energy-surface-to-perform-approximate-path-integral-molecular-dynamics-simulation-of-ab-initio-water-with-near-zero-added-cost-1803.05740</loc><lastmod>2018-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-a-monomer-potential-energy-surface-to-perform-approximate-path-integral-molecular-dynamics-simulation-of-ab-initio-water-with-near-zero-added-cost-1803.05740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-a-monomer-potential-energy-surface-to-perform-approximate-path-integral-molecular-dynamics-simulation-of-ab-initio-water-with-near-zero-added-cost-1803.05740"/></url>
<url><loc>https://scifaro.com/en/abs/steel-based-electrocatalysts-for-efficient-and-durable-oxygen-evolution-in-acidic-media-1803.05772</loc><lastmod>2018-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steel-based-electrocatalysts-for-efficient-and-durable-oxygen-evolution-in-acidic-media-1803.05772"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steel-based-electrocatalysts-for-efficient-and-durable-oxygen-evolution-in-acidic-media-1803.05772"/></url>
<url><loc>https://scifaro.com/en/abs/excited-states-of-methylene-polyenes-and-ozone-from-heat-bath-configuration-interaction-1803.05941</loc><lastmod>2018-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-states-of-methylene-polyenes-and-ozone-from-heat-bath-configuration-interaction-1803.05941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-states-of-methylene-polyenes-and-ozone-from-heat-bath-configuration-interaction-1803.05941"/></url>
<url><loc>https://scifaro.com/en/abs/visible-light-activated-photosensitization-of-hybridization-of-far-red-fluorescent-protein-and-silk-1803.06285</loc><lastmod>2018-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visible-light-activated-photosensitization-of-hybridization-of-far-red-fluorescent-protein-and-silk-1803.06285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visible-light-activated-photosensitization-of-hybridization-of-far-red-fluorescent-protein-and-silk-1803.06285"/></url>
<url><loc>https://scifaro.com/en/abs/mechanistic-regimes-of-vibronic-transport-in-a-heterodimer-and-the-design-principle-of-incoherent-vibronic-transport-in-phycobiliproteins-1803.06389</loc><lastmod>2018-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanistic-regimes-of-vibronic-transport-in-a-heterodimer-and-the-design-principle-of-incoherent-vibronic-transport-in-phycobiliproteins-1803.06389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanistic-regimes-of-vibronic-transport-in-a-heterodimer-and-the-design-principle-of-incoherent-vibronic-transport-in-phycobiliproteins-1803.06389"/></url>
<url><loc>https://scifaro.com/en/abs/uncertainties-in-permittivities-computed-from-molecular-dynamics-simulations-and-temperature-correction-of-dielectric-properties-of-condensed-polar-systems-1803.06421</loc><lastmod>2019-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncertainties-in-permittivities-computed-from-molecular-dynamics-simulations-and-temperature-correction-of-dielectric-properties-of-condensed-polar-systems-1803.06421"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncertainties-in-permittivities-computed-from-molecular-dynamics-simulations-and-temperature-correction-of-dielectric-properties-of-condensed-polar-systems-1803.06421"/></url>
<url><loc>https://scifaro.com/en/abs/note-variational-encoding-of-protein-dynamics-benefits-from-maximizing-latent-autocorrelation-1803.06449</loc><lastmod>2021-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/note-variational-encoding-of-protein-dynamics-benefits-from-maximizing-latent-autocorrelation-1803.06449"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/note-variational-encoding-of-protein-dynamics-benefits-from-maximizing-latent-autocorrelation-1803.06449"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-dependent-dynamics-in-water-ethanol-liquid-mixtures-1803.06658</loc><lastmod>2019-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-dependent-dynamics-in-water-ethanol-liquid-mixtures-1803.06658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-dependent-dynamics-in-water-ethanol-liquid-mixtures-1803.06658"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-dependent-network-stability-in-simple-alcohols-and-pure-water-the-evolution-of-laplace-spectra-1803.06660</loc><lastmod>2019-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-dependent-network-stability-in-simple-alcohols-and-pure-water-the-evolution-of-laplace-spectra-1803.06660"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-dependent-network-stability-in-simple-alcohols-and-pure-water-the-evolution-of-laplace-spectra-1803.06660"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-photodynamics-of-glucose-1803.06856</loc><lastmod>2018-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-photodynamics-of-glucose-1803.06856"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-photodynamics-of-glucose-1803.06856"/></url>
<url><loc>https://scifaro.com/en/abs/spectral-analyses-of-trans-and-cis-doco-transients-via-comb-spectroscopy-1803.06954</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectral-analyses-of-trans-and-cis-doco-transients-via-comb-spectroscopy-1803.06954"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectral-analyses-of-trans-and-cis-doco-transients-via-comb-spectroscopy-1803.06954"/></url>
<url><loc>https://scifaro.com/en/abs/a-perturbative-density-matrix-renormalization-group-algorithm-for-large-active-spaces-1803.07150</loc><lastmod>2018-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-perturbative-density-matrix-renormalization-group-algorithm-for-large-active-spaces-1803.07150"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-perturbative-density-matrix-renormalization-group-algorithm-for-large-active-spaces-1803.07150"/></url>
<url><loc>https://scifaro.com/en/abs/study-on-the-preparation-of-nanosulfur-bentonite-complex-1803.07221</loc><lastmod>2018-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-on-the-preparation-of-nanosulfur-bentonite-complex-1803.07221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-on-the-preparation-of-nanosulfur-bentonite-complex-1803.07221"/></url>
<url><loc>https://scifaro.com/en/abs/reliable-and-practical-computational-prediction-of-molecular-crystal-polymorphs-1803.07503</loc><lastmod>2019-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reliable-and-practical-computational-prediction-of-molecular-crystal-polymorphs-1803.07503"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reliable-and-practical-computational-prediction-of-molecular-crystal-polymorphs-1803.07503"/></url>
<url><loc>https://scifaro.com/en/abs/field-free-three-dimensional-orientation-of-asymmetric-top-molecules-1803.07823</loc><lastmod>2018-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/field-free-three-dimensional-orientation-of-asymmetric-top-molecules-1803.07823"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/field-free-three-dimensional-orientation-of-asymmetric-top-molecules-1803.07823"/></url>
<url><loc>https://scifaro.com/en/abs/simplified-approach-to-the-mixed-time-averaging-semiclassical-initial-value-representation-for-the-calculation-of-dense-vibrational-spectra-1803.07878</loc><lastmod>2018-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simplified-approach-to-the-mixed-time-averaging-semiclassical-initial-value-representation-for-the-calculation-of-dense-vibrational-spectra-1803.07878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simplified-approach-to-the-mixed-time-averaging-semiclassical-initial-value-representation-for-the-calculation-of-dense-vibrational-spectra-1803.07878"/></url>
<url><loc>https://scifaro.com/en/abs/the-structural-origin-of-hydration-repulsive-force-1803.08241</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-structural-origin-of-hydration-repulsive-force-1803.08241"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-structural-origin-of-hydration-repulsive-force-1803.08241"/></url>
<url><loc>https://scifaro.com/en/abs/the-structure-of-aqueous-lithium-chloride-solutions-at-high-concentrations-as-revealed-by-a-comparison-of-classical-interatomic-potential-models-1803.08469</loc><lastmod>2018-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-structure-of-aqueous-lithium-chloride-solutions-at-high-concentrations-as-revealed-by-a-comparison-of-classical-interatomic-potential-models-1803.08469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-structure-of-aqueous-lithium-chloride-solutions-at-high-concentrations-as-revealed-by-a-comparison-of-classical-interatomic-potential-models-1803.08469"/></url>
<url><loc>https://scifaro.com/en/abs/optimized-pair-natural-orbitals-for-the-coupled-cluster-methods-1803.09135</loc><lastmod>2020-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimized-pair-natural-orbitals-for-the-coupled-cluster-methods-1803.09135"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimized-pair-natural-orbitals-for-the-coupled-cluster-methods-1803.09135"/></url>
<url><loc>https://scifaro.com/en/abs/mechanism-deduction-from-noisy-chemical-reaction-networks-1803.09346</loc><lastmod>2019-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanism-deduction-from-noisy-chemical-reaction-networks-1803.09346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanism-deduction-from-noisy-chemical-reaction-networks-1803.09346"/></url>
<url><loc>https://scifaro.com/en/abs/redox-potential-replica-exchange-molecular-dynamics-at-constant-ph-in-amber-implementation-and-validation-1803.09652</loc><lastmod>2018-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/redox-potential-replica-exchange-molecular-dynamics-at-constant-ph-in-amber-implementation-and-validation-1803.09652"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/redox-potential-replica-exchange-molecular-dynamics-at-constant-ph-in-amber-implementation-and-validation-1803.09652"/></url>
<url><loc>https://scifaro.com/en/abs/investigating-photoinduced-proton-coupled-electron-transfer-reaction-using-quasi-diabatic-dynamics-propagation-1803.09802</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigating-photoinduced-proton-coupled-electron-transfer-reaction-using-quasi-diabatic-dynamics-propagation-1803.09802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigating-photoinduced-proton-coupled-electron-transfer-reaction-using-quasi-diabatic-dynamics-propagation-1803.09802"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-mechanism-of-the-selective-reduction-of-co-2-to-co-by-a-tetraaza-co-text-ii-n-4-h-2-complex-in-the-presence-of-protons-1803.09907</loc><lastmod>2018-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-mechanism-of-the-selective-reduction-of-co-2-to-co-by-a-tetraaza-co-text-ii-n-4-h-2-complex-in-the-presence-of-protons-1803.09907"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-mechanism-of-the-selective-reduction-of-co-2-to-co-by-a-tetraaza-co-text-ii-n-4-h-2-complex-in-the-presence-of-protons-1803.09907"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-stochastic-algorithm-for-the-perturbative-density-matrix-renormalization-group-in-large-active-spaces-1803.09943</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-stochastic-algorithm-for-the-perturbative-density-matrix-renormalization-group-in-large-active-spaces-1803.09943"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-stochastic-algorithm-for-the-perturbative-density-matrix-renormalization-group-in-large-active-spaces-1803.09943"/></url>
<url><loc>https://scifaro.com/en/abs/xdh-double-hybrid-functionals-can-be-qualitatively-incorrect-for-non-equilibrium-geometries-dipole-moment-inversion-and-barriers-to-radical-radical-association-using-xyg3-and-xygj-os-1803.10284</loc><lastmod>2018-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/xdh-double-hybrid-functionals-can-be-qualitatively-incorrect-for-non-equilibrium-geometries-dipole-moment-inversion-and-barriers-to-radical-radical-association-using-xyg3-and-xygj-os-1803.10284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/xdh-double-hybrid-functionals-can-be-qualitatively-incorrect-for-non-equilibrium-geometries-dipole-moment-inversion-and-barriers-to-radical-radical-association-using-xyg3-and-xygj-os-1803.10284"/></url>
<url><loc>https://scifaro.com/en/abs/dissociation-of-liquid-water-on-defective-rutile-tio2-110-surfaces-using-ab-initio-molecular-dynamics-simulations-1803.10492</loc><lastmod>2018-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociation-of-liquid-water-on-defective-rutile-tio2-110-surfaces-using-ab-initio-molecular-dynamics-simulations-1803.10492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociation-of-liquid-water-on-defective-rutile-tio2-110-surfaces-using-ab-initio-molecular-dynamics-simulations-1803.10492"/></url>
<url><loc>https://scifaro.com/en/abs/screened-coulombic-orientational-correlations-in-dilute-aqueous-electrolytes-1803.10566</loc><lastmod>2018-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/screened-coulombic-orientational-correlations-in-dilute-aqueous-electrolytes-1803.10566"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/screened-coulombic-orientational-correlations-in-dilute-aqueous-electrolytes-1803.10566"/></url>
<url><loc>https://scifaro.com/en/abs/direct-visualization-of-barrier-crossing-dynamics-in-a-driven-optical-matter-system-1803.10694</loc><lastmod>2018-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-visualization-of-barrier-crossing-dynamics-in-a-driven-optical-matter-system-1803.10694"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-visualization-of-barrier-crossing-dynamics-in-a-driven-optical-matter-system-1803.10694"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-energy-density-functional-theory-on-a-lattice-1803.10823</loc><lastmod>2018-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-energy-density-functional-theory-on-a-lattice-1803.10823"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-energy-density-functional-theory-on-a-lattice-1803.10823"/></url>
<url><loc>https://scifaro.com/en/abs/dissociation-dynamics-of-3-and-4-nitrotoluene-radical-cations-coherently-driven-c-no-2-bond-homolysis-1803.11054</loc><lastmod>2018-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociation-dynamics-of-3-and-4-nitrotoluene-radical-cations-coherently-driven-c-no-2-bond-homolysis-1803.11054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociation-dynamics-of-3-and-4-nitrotoluene-radical-cations-coherently-driven-c-no-2-bond-homolysis-1803.11054"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-varying-the-td-lc-dftb-range-separation-parameter-on-charge-and-energy-transfer-in-a-model-pentacene-buckminsterfullerene-heterojunction-1803.11121</loc><lastmod>2021-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-varying-the-td-lc-dftb-range-separation-parameter-on-charge-and-energy-transfer-in-a-model-pentacene-buckminsterfullerene-heterojunction-1803.11121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-varying-the-td-lc-dftb-range-separation-parameter-on-charge-and-energy-transfer-in-a-model-pentacene-buckminsterfullerene-heterojunction-1803.11121"/></url>
<url><loc>https://scifaro.com/en/abs/interstate-vibronic-coupling-constants-between-electronic-excited-states-for-complex-molecules-1803.11360</loc><lastmod>2018-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interstate-vibronic-coupling-constants-between-electronic-excited-states-for-complex-molecules-1803.11360"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interstate-vibronic-coupling-constants-between-electronic-excited-states-for-complex-molecules-1803.11360"/></url>
<url><loc>https://scifaro.com/en/abs/root-growth-of-boron-nitride-nanotubes-experiments-and-textit-ab-initio-simulations-1803.11374</loc><lastmod>2018-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/root-growth-of-boron-nitride-nanotubes-experiments-and-textit-ab-initio-simulations-1803.11374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/root-growth-of-boron-nitride-nanotubes-experiments-and-textit-ab-initio-simulations-1803.11374"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-mechanical-relation-between-atomic-dipole-polarizability-and-the-van-der-waals-radius-1803.11507</loc><lastmod>2018-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-mechanical-relation-between-atomic-dipole-polarizability-and-the-van-der-waals-radius-1803.11507"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-mechanical-relation-between-atomic-dipole-polarizability-and-the-van-der-waals-radius-1803.11507"/></url>
<url><loc>https://scifaro.com/en/abs/nonequilibrium-thermodynamics-and-boundary-conditions-for-reaction-and-transport-in-heterogeneous-media-1803.11531</loc><lastmod>2018-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonequilibrium-thermodynamics-and-boundary-conditions-for-reaction-and-transport-in-heterogeneous-media-1803.11531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonequilibrium-thermodynamics-and-boundary-conditions-for-reaction-and-transport-in-heterogeneous-media-1803.11531"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-ion-separation-by-electrosorption-1803.11532</loc><lastmod>2018-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-ion-separation-by-electrosorption-1803.11532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-ion-separation-by-electrosorption-1803.11532"/></url>
<url><loc>https://scifaro.com/en/abs/the-impossibility-of-expanding-the-square-root-of-the-electron-density-as-a-linear-combination-of-elements-of-a-complete-set-of-basis-functions-1804.00252</loc><lastmod>2025-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-impossibility-of-expanding-the-square-root-of-the-electron-density-as-a-linear-combination-of-elements-of-a-complete-set-of-basis-functions-1804.00252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-impossibility-of-expanding-the-square-root-of-the-electron-density-as-a-linear-combination-of-elements-of-a-complete-set-of-basis-functions-1804.00252"/></url>
<url><loc>https://scifaro.com/en/abs/asymptotic-nodal-planes-in-the-electron-density-and-the-potential-in-the-effective-equation-for-the-square-root-of-the-density-1804.00475</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymptotic-nodal-planes-in-the-electron-density-and-the-potential-in-the-effective-equation-for-the-square-root-of-the-density-1804.00475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymptotic-nodal-planes-in-the-electron-density-and-the-potential-in-the-effective-equation-for-the-square-root-of-the-density-1804.00475"/></url>
<url><loc>https://scifaro.com/en/abs/next-generation-quantum-theory-of-atoms-in-molecules-for-the-ground-and-excited-states-of-fulvene-1804.00776</loc><lastmod>2018-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/next-generation-quantum-theory-of-atoms-in-molecules-for-the-ground-and-excited-states-of-fulvene-1804.00776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/next-generation-quantum-theory-of-atoms-in-molecules-for-the-ground-and-excited-states-of-fulvene-1804.00776"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-competitive-and-non-competitive-torquoselectivity-in-ring-opening-reactions-using-qtaim-and-the-stress-tensor-1804.00780</loc><lastmod>2018-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-competitive-and-non-competitive-torquoselectivity-in-ring-opening-reactions-using-qtaim-and-the-stress-tensor-1804.00780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-competitive-and-non-competitive-torquoselectivity-in-ring-opening-reactions-using-qtaim-and-the-stress-tensor-1804.00780"/></url>
<url><loc>https://scifaro.com/en/abs/quinone-based-switches-for-candidate-building-blocks-of-molecular-junctions-with-qtaim-and-the-stress-tensor-1804.00784</loc><lastmod>2018-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quinone-based-switches-for-candidate-building-blocks-of-molecular-junctions-with-qtaim-and-the-stress-tensor-1804.00784"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quinone-based-switches-for-candidate-building-blocks-of-molecular-junctions-with-qtaim-and-the-stress-tensor-1804.00784"/></url>
<url><loc>https://scifaro.com/en/abs/random-phase-approximation-excitation-energies-from-approximate-equation-of-motion-ring-coupled-cluster-doubles-1804.01037</loc><lastmod>2019-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/random-phase-approximation-excitation-energies-from-approximate-equation-of-motion-ring-coupled-cluster-doubles-1804.01037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/random-phase-approximation-excitation-energies-from-approximate-equation-of-motion-ring-coupled-cluster-doubles-1804.01037"/></url>
<url><loc>https://scifaro.com/en/abs/size-and-temperature-transferability-of-direct-and-local-deep-neural-networks-for-atomic-forces-1804.01151</loc><lastmod>2018-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-and-temperature-transferability-of-direct-and-local-deep-neural-networks-for-atomic-forces-1804.01151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-and-temperature-transferability-of-direct-and-local-deep-neural-networks-for-atomic-forces-1804.01151"/></url>
<url><loc>https://scifaro.com/en/abs/divide-and-conquer-semiclassical-molecular-dynamics-an-application-to-water-clusters-1804.01161</loc><lastmod>2018-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/divide-and-conquer-semiclassical-molecular-dynamics-an-application-to-water-clusters-1804.01161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/divide-and-conquer-semiclassical-molecular-dynamics-an-application-to-water-clusters-1804.01161"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-composite-control-variate-stratified-sampling-approach-for-efficient-stochastic-calculation-of-molecular-integrals-1804.01197</loc><lastmod>2018-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-composite-control-variate-stratified-sampling-approach-for-efficient-stochastic-calculation-of-molecular-integrals-1804.01197"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-composite-control-variate-stratified-sampling-approach-for-efficient-stochastic-calculation-of-molecular-integrals-1804.01197"/></url>
<url><loc>https://scifaro.com/en/abs/a-vector-based-representation-of-the-chemical-bond-for-the-normal-modes-of-benzene-1804.01525</loc><lastmod>2018-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-vector-based-representation-of-the-chemical-bond-for-the-normal-modes-of-benzene-1804.01525"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-vector-based-representation-of-the-chemical-bond-for-the-normal-modes-of-benzene-1804.01525"/></url>
<url><loc>https://scifaro.com/en/abs/preconditioners-for-the-geometry-optimisation-and-saddle-point-search-of-molecular-systems-1804.01590</loc><lastmod>2018-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/preconditioners-for-the-geometry-optimisation-and-saddle-point-search-of-molecular-systems-1804.01590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/preconditioners-for-the-geometry-optimisation-and-saddle-point-search-of-molecular-systems-1804.01590"/></url>
<url><loc>https://scifaro.com/en/abs/an-automated-target-species-selection-method-for-dynamic-adaptive-chemistry-simulations-1804.01591</loc><lastmod>2018-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-automated-target-species-selection-method-for-dynamic-adaptive-chemistry-simulations-1804.01591"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-automated-target-species-selection-method-for-dynamic-adaptive-chemistry-simulations-1804.01591"/></url>
<url><loc>https://scifaro.com/en/abs/a-vector-based-representation-of-the-chemical-bond-for-the-substituted-torsion-of-biphenyl-1804.01892</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-vector-based-representation-of-the-chemical-bond-for-the-substituted-torsion-of-biphenyl-1804.01892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-vector-based-representation-of-the-chemical-bond-for-the-substituted-torsion-of-biphenyl-1804.01892"/></url>
<url><loc>https://scifaro.com/en/abs/population-based-de-novo-molecule-generation-using-grammatical-evolution-1804.02134</loc><lastmod>2018-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/population-based-de-novo-molecule-generation-using-grammatical-evolution-1804.02134"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/population-based-de-novo-molecule-generation-using-grammatical-evolution-1804.02134"/></url>
<url><loc>https://scifaro.com/en/abs/linear-response-density-cumulant-theory-for-excited-electronic-states-1804.02141</loc><lastmod>2018-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-response-density-cumulant-theory-for-excited-electronic-states-1804.02141"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-response-density-cumulant-theory-for-excited-electronic-states-1804.02141"/></url>
<url><loc>https://scifaro.com/en/abs/elucidating-cation-cation-interactions-in-neptunyl-dications-using-multireference-ab-initio-theory-1804.02241</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elucidating-cation-cation-interactions-in-neptunyl-dications-using-multireference-ab-initio-theory-1804.02241"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elucidating-cation-cation-interactions-in-neptunyl-dications-using-multireference-ab-initio-theory-1804.02241"/></url>
<url><loc>https://scifaro.com/en/abs/knockout-driven-fragmentation-of-porphyrins-1804.02750</loc><lastmod>2018-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/knockout-driven-fragmentation-of-porphyrins-1804.02750"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/knockout-driven-fragmentation-of-porphyrins-1804.02750"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogenated-pyrene-statistical-single-carbon-loss-below-the-knockout-threshold-1804.02862</loc><lastmod>2018-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogenated-pyrene-statistical-single-carbon-loss-below-the-knockout-threshold-1804.02862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogenated-pyrene-statistical-single-carbon-loss-below-the-knockout-threshold-1804.02862"/></url>
<url><loc>https://scifaro.com/en/abs/systematically-extending-classical-nucleation-theory-1804.02920</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematically-extending-classical-nucleation-theory-1804.02920"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematically-extending-classical-nucleation-theory-1804.02920"/></url>
<url><loc>https://scifaro.com/en/abs/polarizable-molecular-simulations-reveal-how-silicon-containing-functional-groups-govern-the-desalination-mechanism-in-nanoporous-graphene-1804.03091</loc><lastmod>2018-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polarizable-molecular-simulations-reveal-how-silicon-containing-functional-groups-govern-the-desalination-mechanism-in-nanoporous-graphene-1804.03091"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polarizable-molecular-simulations-reveal-how-silicon-containing-functional-groups-govern-the-desalination-mechanism-in-nanoporous-graphene-1804.03091"/></url>
<url><loc>https://scifaro.com/en/abs/damping-and-clustering-into-crowded-environment-of-catalytic-chemical-oscillators-1804.03174</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/damping-and-clustering-into-crowded-environment-of-catalytic-chemical-oscillators-1804.03174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/damping-and-clustering-into-crowded-environment-of-catalytic-chemical-oscillators-1804.03174"/></url>
<url><loc>https://scifaro.com/en/abs/a-general-range-separated-double-hybrid-density-functional-theory-1804.03373</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-general-range-separated-double-hybrid-density-functional-theory-1804.03373"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-general-range-separated-double-hybrid-density-functional-theory-1804.03373"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-nature-of-trapped-hole-states-in-cds-nanocrystals-and-the-mechanism-of-their-diffusion-1804.03408</loc><lastmod>2022-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-nature-of-trapped-hole-states-in-cds-nanocrystals-and-the-mechanism-of-their-diffusion-1804.03408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-nature-of-trapped-hole-states-in-cds-nanocrystals-and-the-mechanism-of-their-diffusion-1804.03408"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-potential-calculations-in-non-homogeneous-liquids-1804.03477</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-potential-calculations-in-non-homogeneous-liquids-1804.03477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-potential-calculations-in-non-homogeneous-liquids-1804.03477"/></url>
<url><loc>https://scifaro.com/en/abs/response-properties-of-embedded-molecules-through-the-polarizable-embedding-model-1804.03598</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/response-properties-of-embedded-molecules-through-the-polarizable-embedding-model-1804.03598"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/response-properties-of-embedded-molecules-through-the-polarizable-embedding-model-1804.03598"/></url>
<url><loc>https://scifaro.com/en/abs/localized-orbitals-for-optimal-decomposition-of-molecular-properties-1804.03723</loc><lastmod>2018-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/localized-orbitals-for-optimal-decomposition-of-molecular-properties-1804.03723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/localized-orbitals-for-optimal-decomposition-of-molecular-properties-1804.03723"/></url>
<url><loc>https://scifaro.com/en/abs/direct-signatures-of-light-induced-conical-intersections-on-the-field-dressed-spectrum-of-na2-1804.03850</loc><lastmod>2018-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-signatures-of-light-induced-conical-intersections-on-the-field-dressed-spectrum-of-na2-1804.03850"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-signatures-of-light-induced-conical-intersections-on-the-field-dressed-spectrum-of-na2-1804.03850"/></url>
<url><loc>https://scifaro.com/en/abs/maximum-spin-polarization-in-chromium-dimer-cations-as-demonstrated-by-x-ray-magnetic-circular-dichroism-spectroscopy-1804.03866</loc><lastmod>2018-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/maximum-spin-polarization-in-chromium-dimer-cations-as-demonstrated-by-x-ray-magnetic-circular-dichroism-spectroscopy-1804.03866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/maximum-spin-polarization-in-chromium-dimer-cations-as-demonstrated-by-x-ray-magnetic-circular-dichroism-spectroscopy-1804.03866"/></url>
<url><loc>https://scifaro.com/en/abs/fe-intercalation-under-graphene-and-hexagonal-boron-nitride-in-plane-heterostructure-on-pt-111-1804.04240</loc><lastmod>2018-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fe-intercalation-under-graphene-and-hexagonal-boron-nitride-in-plane-heterostructure-on-pt-111-1804.04240"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fe-intercalation-under-graphene-and-hexagonal-boron-nitride-in-plane-heterostructure-on-pt-111-1804.04240"/></url>
<url><loc>https://scifaro.com/en/abs/the-threshold-displacement-energy-of-buckminsterfullerene-c-60-and-formation-of-the-endohedral-defect-fullerene-he-c-59-1804.04374</loc><lastmod>2018-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-threshold-displacement-energy-of-buckminsterfullerene-c-60-and-formation-of-the-endohedral-defect-fullerene-he-c-59-1804.04374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-threshold-displacement-energy-of-buckminsterfullerene-c-60-and-formation-of-the-endohedral-defect-fullerene-he-c-59-1804.04374"/></url>
<url><loc>https://scifaro.com/en/abs/hyperfine-structure-induced-depolarization-of-impulsively-aligned-rm-i-2-molecules-1804.04416</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hyperfine-structure-induced-depolarization-of-impulsively-aligned-rm-i-2-molecules-1804.04416"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hyperfine-structure-induced-depolarization-of-impulsively-aligned-rm-i-2-molecules-1804.04416"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-superadiabatic-transitions-and-landau-zener-formulas-1804.04660</loc><lastmod>2018-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-superadiabatic-transitions-and-landau-zener-formulas-1804.04660"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-superadiabatic-transitions-and-landau-zener-formulas-1804.04660"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-transitions-in-multiple-dimensions-1804.04661</loc><lastmod>2018-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-transitions-in-multiple-dimensions-1804.04661"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-transitions-in-multiple-dimensions-1804.04661"/></url>
<url><loc>https://scifaro.com/en/abs/unexpectedly-large-delocalization-of-the-initial-excitation-in-photosynthetic-light-harvesting-1804.04840</loc><lastmod>2018-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unexpectedly-large-delocalization-of-the-initial-excitation-in-photosynthetic-light-harvesting-1804.04840"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unexpectedly-large-delocalization-of-the-initial-excitation-in-photosynthetic-light-harvesting-1804.04840"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-structure-topology-associated-domain-is-useful-to-minimize-the-uncertainty-of-qm-mm-boundary-charge-transfer-effects-1804.04939</loc><lastmod>2019-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-structure-topology-associated-domain-is-useful-to-minimize-the-uncertainty-of-qm-mm-boundary-charge-transfer-effects-1804.04939"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-structure-topology-associated-domain-is-useful-to-minimize-the-uncertainty-of-qm-mm-boundary-charge-transfer-effects-1804.04939"/></url>
<url><loc>https://scifaro.com/en/abs/encoding-and-selecting-coarse-grain-mapping-operators-with-hierarchical-graphs-1804.04997</loc><lastmod>2018-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/encoding-and-selecting-coarse-grain-mapping-operators-with-hierarchical-graphs-1804.04997"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/encoding-and-selecting-coarse-grain-mapping-operators-with-hierarchical-graphs-1804.04997"/></url>
<url><loc>https://scifaro.com/en/abs/combining-enhanced-sampling-with-experiment-directed-simulation-of-the-gyg-peptide-1804.05100</loc><lastmod>2019-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-enhanced-sampling-with-experiment-directed-simulation-of-the-gyg-peptide-1804.05100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-enhanced-sampling-with-experiment-directed-simulation-of-the-gyg-peptide-1804.05100"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-study-of-acid-molecules-interacting-with-h2o-1804.05673</loc><lastmod>2018-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-study-of-acid-molecules-interacting-with-h2o-1804.05673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-study-of-acid-molecules-interacting-with-h2o-1804.05673"/></url>
<url><loc>https://scifaro.com/en/abs/pcmsolver-an-open-source-library-for-solvation-modeling-1804.05895</loc><lastmod>2019-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pcmsolver-an-open-source-library-for-solvation-modeling-1804.05895"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pcmsolver-an-open-source-library-for-solvation-modeling-1804.05895"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-different-reactivities-of-para-and-ortho-water-towards-cold-diazenylium-ions-1804.05925</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-different-reactivities-of-para-and-ortho-water-towards-cold-diazenylium-ions-1804.05925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-different-reactivities-of-para-and-ortho-water-towards-cold-diazenylium-ions-1804.05925"/></url>
<url><loc>https://scifaro.com/en/abs/a-portable-code-for-dissipative-particle-dynamics-dpd-simulations-with-additional-specific-interactions-1804.06205</loc><lastmod>2018-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-portable-code-for-dissipative-particle-dynamics-dpd-simulations-with-additional-specific-interactions-1804.06205"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-portable-code-for-dissipative-particle-dynamics-dpd-simulations-with-additional-specific-interactions-1804.06205"/></url>
<url><loc>https://scifaro.com/en/abs/multiscale-cyclic-dynamics-in-light-harvesting-complex-in-presence-of-vibrations-and-noise-1804.06260</loc><lastmod>2020-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-cyclic-dynamics-in-light-harvesting-complex-in-presence-of-vibrations-and-noise-1804.06260"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-cyclic-dynamics-in-light-harvesting-complex-in-presence-of-vibrations-and-noise-1804.06260"/></url>
<url><loc>https://scifaro.com/en/abs/fate-of-the-open-shell-singlet-ground-state-in-the-experimentally-accessible-acenes-a-quantum-monte-carlo-study-1804.06276</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fate-of-the-open-shell-singlet-ground-state-in-the-experimentally-accessible-acenes-a-quantum-monte-carlo-study-1804.06276"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fate-of-the-open-shell-singlet-ground-state-in-the-experimentally-accessible-acenes-a-quantum-monte-carlo-study-1804.06276"/></url>
<url><loc>https://scifaro.com/en/abs/phase-dilemma-in-natural-orbital-functional-theory-from-the-n-representability-perspective-1804.06282</loc><lastmod>2018-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-dilemma-in-natural-orbital-functional-theory-from-the-n-representability-perspective-1804.06282"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-dilemma-in-natural-orbital-functional-theory-from-the-n-representability-perspective-1804.06282"/></url>
<url><loc>https://scifaro.com/en/abs/large-scale-relativistic-complete-active-space-self-consistent-field-with-robust-convergence-1804.06470</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/large-scale-relativistic-complete-active-space-self-consistent-field-with-robust-convergence-1804.06470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/large-scale-relativistic-complete-active-space-self-consistent-field-with-robust-convergence-1804.06470"/></url>
<url><loc>https://scifaro.com/en/abs/symmetric-quasi-classical-dynamics-with-quasi-diabatic-propagation-scheme-1804.06981</loc><lastmod>2018-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetric-quasi-classical-dynamics-with-quasi-diabatic-propagation-scheme-1804.06981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetric-quasi-classical-dynamics-with-quasi-diabatic-propagation-scheme-1804.06981"/></url>
<url><loc>https://scifaro.com/en/abs/grand-canonical-diffusion-influenced-reactions-a-stochastic-theory-with-applications-to-multiscale-reaction-diffusion-simulations-1804.07743</loc><lastmod>2019-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/grand-canonical-diffusion-influenced-reactions-a-stochastic-theory-with-applications-to-multiscale-reaction-diffusion-simulations-1804.07743"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/grand-canonical-diffusion-influenced-reactions-a-stochastic-theory-with-applications-to-multiscale-reaction-diffusion-simulations-1804.07743"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-structure-and-rovibrational-predissociation-of-the-2spi-state-in-kli-1804.08009</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-structure-and-rovibrational-predissociation-of-the-2spi-state-in-kli-1804.08009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-structure-and-rovibrational-predissociation-of-the-2spi-state-in-kli-1804.08009"/></url>
<url><loc>https://scifaro.com/en/abs/computation-of-electromagnetic-properties-of-molecular-ensembles-1804.08085</loc><lastmod>2020-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computation-of-electromagnetic-properties-of-molecular-ensembles-1804.08085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computation-of-electromagnetic-properties-of-molecular-ensembles-1804.08085"/></url>
<url><loc>https://scifaro.com/en/abs/the-coupled-cluster-formalism-a-mathematical-perspective-1804.08134</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-coupled-cluster-formalism-a-mathematical-perspective-1804.08134"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-coupled-cluster-formalism-a-mathematical-perspective-1804.08134"/></url>
<url><loc>https://scifaro.com/en/abs/systematic-derivation-of-hybrid-coarse-grained-models-1804.08157</loc><lastmod>2019-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematic-derivation-of-hybrid-coarse-grained-models-1804.08157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematic-derivation-of-hybrid-coarse-grained-models-1804.08157"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-kohn-sham-iteration-on-banach-spaces-1804.08793</loc><lastmod>2018-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-kohn-sham-iteration-on-banach-spaces-1804.08793"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-kohn-sham-iteration-on-banach-spaces-1804.08793"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-range-extender-for-basis-set-extrapolation-methods-for-mp2-and-coupled-cluster-correlation-energies-1804.08844</loc><lastmod>2020-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-range-extender-for-basis-set-extrapolation-methods-for-mp2-and-coupled-cluster-correlation-energies-1804.08844"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-range-extender-for-basis-set-extrapolation-methods-for-mp2-and-coupled-cluster-correlation-energies-1804.08844"/></url>
<url><loc>https://scifaro.com/en/abs/fast-forward-langevin-dynamics-with-momentum-flips-1804.08913</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-forward-langevin-dynamics-with-momentum-flips-1804.08913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-forward-langevin-dynamics-with-momentum-flips-1804.08913"/></url>
<url><loc>https://scifaro.com/en/abs/response-potential-in-the-strong-interaction-limit-of-dft-analysis-and-comparison-with-the-coupling-constant-average-1804.09001</loc><lastmod>2019-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/response-potential-in-the-strong-interaction-limit-of-dft-analysis-and-comparison-with-the-coupling-constant-average-1804.09001"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/response-potential-in-the-strong-interaction-limit-of-dft-analysis-and-comparison-with-the-coupling-constant-average-1804.09001"/></url>
<url><loc>https://scifaro.com/en/abs/pseudocontact-shifts-and-paramagnetic-susceptibility-in-semiempirical-and-quantum-chemistry-theories-1804.09055</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pseudocontact-shifts-and-paramagnetic-susceptibility-in-semiempirical-and-quantum-chemistry-theories-1804.09055"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pseudocontact-shifts-and-paramagnetic-susceptibility-in-semiempirical-and-quantum-chemistry-theories-1804.09055"/></url>
<url><loc>https://scifaro.com/en/abs/calculations-of-coherent-two-dimensional-electronic-spectra-using-forward-and-backward-stochastic-wavefunctions-1804.09094</loc><lastmod>2018-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculations-of-coherent-two-dimensional-electronic-spectra-using-forward-and-backward-stochastic-wavefunctions-1804.09094"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculations-of-coherent-two-dimensional-electronic-spectra-using-forward-and-backward-stochastic-wavefunctions-1804.09094"/></url>
<url><loc>https://scifaro.com/en/abs/on-computing-spectral-densities-from-classical-semiclassical-and-quantum-simulations-1804.09112</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-computing-spectral-densities-from-classical-semiclassical-and-quantum-simulations-1804.09112"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-computing-spectral-densities-from-classical-semiclassical-and-quantum-simulations-1804.09112"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-interference-graphs-walks-and-polynomials-1804.09234</loc><lastmod>2018-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-interference-graphs-walks-and-polynomials-1804.09234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-interference-graphs-walks-and-polynomials-1804.09234"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-and-accurate-perturbative-correction-to-initiator-full-configuration-interaction-quantum-monte-carlo-1804.09528</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-and-accurate-perturbative-correction-to-initiator-full-configuration-interaction-quantum-monte-carlo-1804.09528"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-and-accurate-perturbative-correction-to-initiator-full-configuration-interaction-quantum-monte-carlo-1804.09528"/></url>
<url><loc>https://scifaro.com/en/abs/attosecond-streaking-delays-in-multi-electron-systems-1804.09583</loc><lastmod>2018-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attosecond-streaking-delays-in-multi-electron-systems-1804.09583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attosecond-streaking-delays-in-multi-electron-systems-1804.09583"/></url>
<url><loc>https://scifaro.com/en/abs/perturbatively-selected-configuration-interaction-wave-functions-for-efficient-geometry-optimization-in-quantum-monte-carlo-1804.09610</loc><lastmod>2019-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perturbatively-selected-configuration-interaction-wave-functions-for-efficient-geometry-optimization-in-quantum-monte-carlo-1804.09610"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perturbatively-selected-configuration-interaction-wave-functions-for-efficient-geometry-optimization-in-quantum-monte-carlo-1804.09610"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-vibrational-ladder-climbing-in-vibronic-coupling-models-toward-experimental-observation-of-a-geometric-phase-signature-of-a-conical-intersection-1804.09863</loc><lastmod>2018-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-vibrational-ladder-climbing-in-vibronic-coupling-models-toward-experimental-observation-of-a-geometric-phase-signature-of-a-conical-intersection-1804.09863"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-vibrational-ladder-climbing-in-vibronic-coupling-models-toward-experimental-observation-of-a-geometric-phase-signature-of-a-conical-intersection-1804.09863"/></url>
<url><loc>https://scifaro.com/en/abs/optical-and-electronic-properties-of-molecular-systems-derived-from-rhodanine-1804.10300</loc><lastmod>2019-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-and-electronic-properties-of-molecular-systems-derived-from-rhodanine-1804.10300"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-and-electronic-properties-of-molecular-systems-derived-from-rhodanine-1804.10300"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-origin-of-surface-imposed-anisotropic-growth-of-salicylic-and-acetylsalicylic-acids-crystals-during-droplet-evaporation-1804.10910</loc><lastmod>2018-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-origin-of-surface-imposed-anisotropic-growth-of-salicylic-and-acetylsalicylic-acids-crystals-during-droplet-evaporation-1804.10910"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-origin-of-surface-imposed-anisotropic-growth-of-salicylic-and-acetylsalicylic-acids-crystals-during-droplet-evaporation-1804.10910"/></url>
<url><loc>https://scifaro.com/en/abs/formation-of-chlorinated-breakdown-products-during-degradation-of-sunscreen-agent-2-ethylhexyl-4-methoxycinnamate-in-the-presence-of-sodium-hypochlorite-1804.10914</loc><lastmod>2018-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-of-chlorinated-breakdown-products-during-degradation-of-sunscreen-agent-2-ethylhexyl-4-methoxycinnamate-in-the-presence-of-sodium-hypochlorite-1804.10914"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-of-chlorinated-breakdown-products-during-degradation-of-sunscreen-agent-2-ethylhexyl-4-methoxycinnamate-in-the-presence-of-sodium-hypochlorite-1804.10914"/></url>
<url><loc>https://scifaro.com/en/abs/studies-on-the-formation-of-formaldehyde-during-2-ethylhexyl-4-dimethylamino-benzoate-demethylation-in-the-presence-of-reactive-oxygen-and-chlorine-species-1804.10918</loc><lastmod>2018-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/studies-on-the-formation-of-formaldehyde-during-2-ethylhexyl-4-dimethylamino-benzoate-demethylation-in-the-presence-of-reactive-oxygen-and-chlorine-species-1804.10918"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/studies-on-the-formation-of-formaldehyde-during-2-ethylhexyl-4-dimethylamino-benzoate-demethylation-in-the-presence-of-reactive-oxygen-and-chlorine-species-1804.10918"/></url>
<url><loc>https://scifaro.com/en/abs/dissociation-energy-of-the-hydrogen-molecule-at-10-9-accuracy-1804.11143</loc><lastmod>2018-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociation-energy-of-the-hydrogen-molecule-at-10-9-accuracy-1804.11143"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociation-energy-of-the-hydrogen-molecule-at-10-9-accuracy-1804.11143"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-relation-between-equation-of-motion-coupled-cluster-theory-and-the-gw-approximation-1805.00043</loc><lastmod>2019-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-relation-between-equation-of-motion-coupled-cluster-theory-and-the-gw-approximation-1805.00043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-relation-between-equation-of-motion-coupled-cluster-theory-and-the-gw-approximation-1805.00043"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-and-theoretical-studies-on-the-photodegradation-of-2-ethylhexyl-4-methoxycinnamate-in-the-presence-of-reactive-oxygen-and-chlorine-species-1805.00234</loc><lastmod>2018-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-and-theoretical-studies-on-the-photodegradation-of-2-ethylhexyl-4-methoxycinnamate-in-the-presence-of-reactive-oxygen-and-chlorine-species-1805.00234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-and-theoretical-studies-on-the-photodegradation-of-2-ethylhexyl-4-methoxycinnamate-in-the-presence-of-reactive-oxygen-and-chlorine-species-1805.00234"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-cocrystallization-potential-of-urea-and-benzamide-1805.00236</loc><lastmod>2018-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-cocrystallization-potential-of-urea-and-benzamide-1805.00236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-cocrystallization-potential-of-urea-and-benzamide-1805.00236"/></url>
<url><loc>https://scifaro.com/en/abs/al-x-ga-1-x-as-crystals-with-direct-2-ev-band-gaps-from-computational-alchemy-1805.00299</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/al-x-ga-1-x-as-crystals-with-direct-2-ev-band-gaps-from-computational-alchemy-1805.00299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/al-x-ga-1-x-as-crystals-with-direct-2-ev-band-gaps-from-computational-alchemy-1805.00299"/></url>
<url><loc>https://scifaro.com/en/abs/accuracy-of-potfit-based-potential-representations-and-its-impact-on-the-performance-of-ml-mctdh-1805.00395</loc><lastmod>2018-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accuracy-of-potfit-based-potential-representations-and-its-impact-on-the-performance-of-ml-mctdh-1805.00395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accuracy-of-potfit-based-potential-representations-and-its-impact-on-the-performance-of-ml-mctdh-1805.00395"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-permutation-group-approach-to-spin-free-higher-order-coupled-cluster-methods-1805.00565</loc><lastmod>2018-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-permutation-group-approach-to-spin-free-higher-order-coupled-cluster-methods-1805.00565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-permutation-group-approach-to-spin-free-higher-order-coupled-cluster-methods-1805.00565"/></url>
<url><loc>https://scifaro.com/en/abs/solid-harmonic-wavelet-scattering-for-predictions-of-molecule-properties-1805.00571</loc><lastmod>2019-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solid-harmonic-wavelet-scattering-for-predictions-of-molecule-properties-1805.00571"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solid-harmonic-wavelet-scattering-for-predictions-of-molecule-properties-1805.00571"/></url>
<url><loc>https://scifaro.com/en/abs/mode-specific-dynamics-of-ammonia-dissociative-chemisorption-on-ru-0001-1805.00622</loc><lastmod>2018-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mode-specific-dynamics-of-ammonia-dissociative-chemisorption-on-ru-0001-1805.00622"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mode-specific-dynamics-of-ammonia-dissociative-chemisorption-on-ru-0001-1805.00622"/></url>
<url><loc>https://scifaro.com/en/abs/linear-increase-of-the-2-ion-concentration-in-the-double-photoionization-of-aromatic-molecules-1805.00891</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-increase-of-the-2-ion-concentration-in-the-double-photoionization-of-aromatic-molecules-1805.00891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-increase-of-the-2-ion-concentration-in-the-double-photoionization-of-aromatic-molecules-1805.00891"/></url>
<url><loc>https://scifaro.com/en/abs/the-anisotropy-of-the-proton-momentum-distribution-in-water-1805.01193</loc><lastmod>2018-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-anisotropy-of-the-proton-momentum-distribution-in-water-1805.01193"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-anisotropy-of-the-proton-momentum-distribution-in-water-1805.01193"/></url>
<url><loc>https://scifaro.com/en/abs/perylene-based-non-covalent-functionalization-of-2d-materials-1805.01231</loc><lastmod>2018-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perylene-based-non-covalent-functionalization-of-2d-materials-1805.01231"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perylene-based-non-covalent-functionalization-of-2d-materials-1805.01231"/></url>
<url><loc>https://scifaro.com/en/abs/herman-kluk-propagator-is-free-from-zero-point-energy-leakage-1805.01686</loc><lastmod>2018-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/herman-kluk-propagator-is-free-from-zero-point-energy-leakage-1805.01686"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/herman-kluk-propagator-is-free-from-zero-point-energy-leakage-1805.01686"/></url>
<url><loc>https://scifaro.com/en/abs/electron-configuration-of-the-feo-2-group-in-the-h-abstraction-from-methane-oxyl-versus-ferryl-1805.01778</loc><lastmod>2018-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-configuration-of-the-feo-2-group-in-the-h-abstraction-from-methane-oxyl-versus-ferryl-1805.01778"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-configuration-of-the-feo-2-group-in-the-h-abstraction-from-methane-oxyl-versus-ferryl-1805.01778"/></url>
<url><loc>https://scifaro.com/en/abs/probing-the-basis-set-limit-for-thermochemical-contributions-of-inner-shell-correlation-balance-of-core-core-and-core-valence-contributions-1805.02000</loc><lastmod>2019-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-the-basis-set-limit-for-thermochemical-contributions-of-inner-shell-correlation-balance-of-core-core-and-core-valence-contributions-1805.02000"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-the-basis-set-limit-for-thermochemical-contributions-of-inner-shell-correlation-balance-of-core-core-and-core-valence-contributions-1805.02000"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-the-complete-reaction-path-of-a-complex-photochemical-reaction-1805.02170</loc><lastmod>2018-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-the-complete-reaction-path-of-a-complex-photochemical-reaction-1805.02170"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-the-complete-reaction-path-of-a-complex-photochemical-reaction-1805.02170"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-instanton-rate-theory-made-efficient-using-gaussian-process-regression-1805.02589</loc><lastmod>2018-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-instanton-rate-theory-made-efficient-using-gaussian-process-regression-1805.02589"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-instanton-rate-theory-made-efficient-using-gaussian-process-regression-1805.02589"/></url>
<url><loc>https://scifaro.com/en/abs/searching-for-crystal-ice-domains-in-amorphous-ices-1805.02619</loc><lastmod>2018-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/searching-for-crystal-ice-domains-in-amorphous-ices-1805.02619"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/searching-for-crystal-ice-domains-in-amorphous-ices-1805.02619"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-photodissociation-dynamics-and-nonadiabatic-coupling-between-excited-electronic-states-of-methanol-probed-by-time-resolved-photoelectron-spectroscopy-1805.02648</loc><lastmod>2019-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-photodissociation-dynamics-and-nonadiabatic-coupling-between-excited-electronic-states-of-methanol-probed-by-time-resolved-photoelectron-spectroscopy-1805.02648"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-photodissociation-dynamics-and-nonadiabatic-coupling-between-excited-electronic-states-of-methanol-probed-by-time-resolved-photoelectron-spectroscopy-1805.02648"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-the-thermal-stability-of-the-carbon-framework-of-graphene-oxide-1805.02654</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-the-thermal-stability-of-the-carbon-framework-of-graphene-oxide-1805.02654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-the-thermal-stability-of-the-carbon-framework-of-graphene-oxide-1805.02654"/></url>
<url><loc>https://scifaro.com/en/abs/cycling-li-o2-batteries-via-lioh-formation-and-decomposition-1805.03042</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cycling-li-o2-batteries-via-lioh-formation-and-decomposition-1805.03042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cycling-li-o2-batteries-via-lioh-formation-and-decomposition-1805.03042"/></url>
<url><loc>https://scifaro.com/en/abs/mechanistic-insights-into-the-challenges-of-cycling-a-non-aqueous-na-o2-battery-1805.03056</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanistic-insights-into-the-challenges-of-cycling-a-non-aqueous-na-o2-battery-1805.03056"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanistic-insights-into-the-challenges-of-cycling-a-non-aqueous-na-o2-battery-1805.03056"/></url>
<url><loc>https://scifaro.com/en/abs/surface-sensitive-nmr-detection-of-the-sei-layer-on-reduced-graphene-oxide-1805.03068</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-sensitive-nmr-detection-of-the-sei-layer-on-reduced-graphene-oxide-1805.03068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-sensitive-nmr-detection-of-the-sei-layer-on-reduced-graphene-oxide-1805.03068"/></url>
<url><loc>https://scifaro.com/en/abs/graphene-supported-au-ni-carbon-nitride-electrocatalysts-for-the-orr-in-alkaline-environment-1805.03078</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graphene-supported-au-ni-carbon-nitride-electrocatalysts-for-the-orr-in-alkaline-environment-1805.03078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graphene-supported-au-ni-carbon-nitride-electrocatalysts-for-the-orr-in-alkaline-environment-1805.03078"/></url>
<url><loc>https://scifaro.com/en/abs/the-effect-of-water-on-quinone-redox-mediators-in-non-aqueous-li-o2-batteries-1805.03086</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effect-of-water-on-quinone-redox-mediators-in-non-aqueous-li-o2-batteries-1805.03086"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effect-of-water-on-quinone-redox-mediators-in-non-aqueous-li-o2-batteries-1805.03086"/></url>
<url><loc>https://scifaro.com/en/abs/chemistry-with-graphene-and-graphene-oxide-challenges-for-synthetic-chemists-1805.03088</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemistry-with-graphene-and-graphene-oxide-challenges-for-synthetic-chemists-1805.03088"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemistry-with-graphene-and-graphene-oxide-challenges-for-synthetic-chemists-1805.03088"/></url>
<url><loc>https://scifaro.com/en/abs/exfoliation-of-layered-na-ion-anode-material-na2ti3o7-for-enhanced-capacity-and-cyclability-1805.03091</loc><lastmod>2018-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exfoliation-of-layered-na-ion-anode-material-na2ti3o7-for-enhanced-capacity-and-cyclability-1805.03091"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exfoliation-of-layered-na-ion-anode-material-na2ti3o7-for-enhanced-capacity-and-cyclability-1805.03091"/></url>
<url><loc>https://scifaro.com/en/abs/co-ni-sn0-5-nanoparticles-supported-on-hierarchical-cn-graphene-based-electrocatalysts-for-the-oxygen-reduction-reaction-1805.03093</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/co-ni-sn0-5-nanoparticles-supported-on-hierarchical-cn-graphene-based-electrocatalysts-for-the-oxygen-reduction-reaction-1805.03093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/co-ni-sn0-5-nanoparticles-supported-on-hierarchical-cn-graphene-based-electrocatalysts-for-the-oxygen-reduction-reaction-1805.03093"/></url>
<url><loc>https://scifaro.com/en/abs/fe-carbon-nitride-core-shell-electrocatalysts-for-the-oxygen-reduction-reaction-1805.03112</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fe-carbon-nitride-core-shell-electrocatalysts-for-the-oxygen-reduction-reaction-1805.03112"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fe-carbon-nitride-core-shell-electrocatalysts-for-the-oxygen-reduction-reaction-1805.03112"/></url>
<url><loc>https://scifaro.com/en/abs/towards-pt-free-anion-exchange-membrane-fuel-cells-fe-sn-carbon-nitride-graphene-core-shell-electrocatalysts-for-the-oxygen-reduction-reaction-1805.03119</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-pt-free-anion-exchange-membrane-fuel-cells-fe-sn-carbon-nitride-graphene-core-shell-electrocatalysts-for-the-oxygen-reduction-reaction-1805.03119"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-pt-free-anion-exchange-membrane-fuel-cells-fe-sn-carbon-nitride-graphene-core-shell-electrocatalysts-for-the-oxygen-reduction-reaction-1805.03119"/></url>
<url><loc>https://scifaro.com/en/abs/oxygen-reduction-reaction-electrocatalysts-based-on-fesn0-5-species-embedded-in-hierarchical-cn-graphene-based-supports-1805.03120</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oxygen-reduction-reaction-electrocatalysts-based-on-fesn0-5-species-embedded-in-hierarchical-cn-graphene-based-supports-1805.03120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oxygen-reduction-reaction-electrocatalysts-based-on-fesn0-5-species-embedded-in-hierarchical-cn-graphene-based-supports-1805.03120"/></url>
<url><loc>https://scifaro.com/en/abs/unravelling-of-the-chemistry-and-the-performance-in-the-oxygen-reduction-reaction-of-carbon-nitride-supported-bimetallic-electrocatalysts-through-x-ray-photoelectron-spectroscopy-1805.03121</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unravelling-of-the-chemistry-and-the-performance-in-the-oxygen-reduction-reaction-of-carbon-nitride-supported-bimetallic-electrocatalysts-through-x-ray-photoelectron-spectroscopy-1805.03121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unravelling-of-the-chemistry-and-the-performance-in-the-oxygen-reduction-reaction-of-carbon-nitride-supported-bimetallic-electrocatalysts-through-x-ray-photoelectron-spectroscopy-1805.03121"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-graphene-oxide-with-traces-of-iridium-or-gold-as-active-support-for-pt-catalyst-at-low-loading-during-oxygen-electroreduction-1805.03147</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-graphene-oxide-with-traces-of-iridium-or-gold-as-active-support-for-pt-catalyst-at-low-loading-during-oxygen-electroreduction-1805.03147"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-graphene-oxide-with-traces-of-iridium-or-gold-as-active-support-for-pt-catalyst-at-low-loading-during-oxygen-electroreduction-1805.03147"/></url>
<url><loc>https://scifaro.com/en/abs/evaluation-of-reduced-graphene-oxide-supported-gold-nanoparticles-as-catalytic-system-for-electroreduction-of-oxygen-in-alkaline-electrolyte-1805.03156</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaluation-of-reduced-graphene-oxide-supported-gold-nanoparticles-as-catalytic-system-for-electroreduction-of-oxygen-in-alkaline-electrolyte-1805.03156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaluation-of-reduced-graphene-oxide-supported-gold-nanoparticles-as-catalytic-system-for-electroreduction-of-oxygen-in-alkaline-electrolyte-1805.03156"/></url>
<url><loc>https://scifaro.com/en/abs/identifying-the-structural-basis-for-the-increased-stability-of-the-solid-electrolyte-interphase-formed-on-silicon-with-the-additive-fluoroethylene-carbonate-1805.03226</loc><lastmod>2018-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identifying-the-structural-basis-for-the-increased-stability-of-the-solid-electrolyte-interphase-formed-on-silicon-with-the-additive-fluoroethylene-carbonate-1805.03226"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identifying-the-structural-basis-for-the-increased-stability-of-the-solid-electrolyte-interphase-formed-on-silicon-with-the-additive-fluoroethylene-carbonate-1805.03226"/></url>
<url><loc>https://scifaro.com/en/abs/performance-metrics-for-the-objective-assessment-of-capacitive-deionization-systems-1805.03247</loc><lastmod>2019-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-metrics-for-the-objective-assessment-of-capacitive-deionization-systems-1805.03247"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-metrics-for-the-objective-assessment-of-capacitive-deionization-systems-1805.03247"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-lioh-chemistry-in-a-ruthenium-catalyzed-li-o2-battery-1805.03268</loc><lastmod>2018-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-lioh-chemistry-in-a-ruthenium-catalyzed-li-o2-battery-1805.03268"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-lioh-chemistry-in-a-ruthenium-catalyzed-li-o2-battery-1805.03268"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-nanostructured-graphene-supported-silver-nanoparticles-as-catalysts-for-electroreduction-of-oxygen-in-alkaline-electrolyte-1805.03389</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-nanostructured-graphene-supported-silver-nanoparticles-as-catalysts-for-electroreduction-of-oxygen-in-alkaline-electrolyte-1805.03389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-nanostructured-graphene-supported-silver-nanoparticles-as-catalysts-for-electroreduction-of-oxygen-in-alkaline-electrolyte-1805.03389"/></url>
<url><loc>https://scifaro.com/en/abs/graphene-supported-silver-iron-carbon-nitride-derived-from-thermal-decomposition-of-silver-hexacyanoferrate-as-effective-electrocatalyst-for-the-oxygen-reduction-reaction-in-alkaline-media-1805.03439</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graphene-supported-silver-iron-carbon-nitride-derived-from-thermal-decomposition-of-silver-hexacyanoferrate-as-effective-electrocatalyst-for-the-oxygen-reduction-reaction-in-alkaline-media-1805.03439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graphene-supported-silver-iron-carbon-nitride-derived-from-thermal-decomposition-of-silver-hexacyanoferrate-as-effective-electrocatalyst-for-the-oxygen-reduction-reaction-in-alkaline-media-1805.03439"/></url>
<url><loc>https://scifaro.com/en/abs/the-coupled-trajectory-mixed-quantum-classical-algorithm-a-deconstruction-1805.03534</loc><lastmod>2018-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-coupled-trajectory-mixed-quantum-classical-algorithm-a-deconstruction-1805.03534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-coupled-trajectory-mixed-quantum-classical-algorithm-a-deconstruction-1805.03534"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-halogen-dopants-on-the-li-2-o-2-properties-is-chloride-special-1805.03692</loc><lastmod>2018-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-halogen-dopants-on-the-li-2-o-2-properties-is-chloride-special-1805.03692"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-halogen-dopants-on-the-li-2-o-2-properties-is-chloride-special-1805.03692"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-raman-microscopy-and-atomic-force-microscopy-on-heterogeneous-graphene-obtained-after-reduction-of-graphene-oxide-1805.04248</loc><lastmod>2018-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-raman-microscopy-and-atomic-force-microscopy-on-heterogeneous-graphene-obtained-after-reduction-of-graphene-oxide-1805.04248"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-raman-microscopy-and-atomic-force-microscopy-on-heterogeneous-graphene-obtained-after-reduction-of-graphene-oxide-1805.04248"/></url>
<url><loc>https://scifaro.com/en/abs/liquid-phase-parametrisation-and-solidification-in-many-body-dissipative-particle-dynamics-1805.04556</loc><lastmod>2019-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/liquid-phase-parametrisation-and-solidification-in-many-body-dissipative-particle-dynamics-1805.04556"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/liquid-phase-parametrisation-and-solidification-in-many-body-dissipative-particle-dynamics-1805.04556"/></url>
<url><loc>https://scifaro.com/en/abs/invariance-of-experimental-observables-with-respect-to-coarse-graining-in-standard-and-many-body-dissipative-particle-dynamics-1805.04565</loc><lastmod>2019-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/invariance-of-experimental-observables-with-respect-to-coarse-graining-in-standard-and-many-body-dissipative-particle-dynamics-1805.04565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/invariance-of-experimental-observables-with-respect-to-coarse-graining-in-standard-and-many-body-dissipative-particle-dynamics-1805.04565"/></url>
<url><loc>https://scifaro.com/en/abs/dispersion-energy-of-symmetry-adapted-perturbation-theory-from-explicitly-correlated-f12-approach-1805.04926</loc><lastmod>2018-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dispersion-energy-of-symmetry-adapted-perturbation-theory-from-explicitly-correlated-f12-approach-1805.04926"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dispersion-energy-of-symmetry-adapted-perturbation-theory-from-explicitly-correlated-f12-approach-1805.04926"/></url>
<url><loc>https://scifaro.com/en/abs/extent-of-fock-exchange-mixing-for-a-hybrid-van-der-waals-density-functional-1805.04936</loc><lastmod>2018-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extent-of-fock-exchange-mixing-for-a-hybrid-van-der-waals-density-functional-1805.04936"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extent-of-fock-exchange-mixing-for-a-hybrid-van-der-waals-density-functional-1805.04936"/></url>
<url><loc>https://scifaro.com/en/abs/absorption-and-luminescence-spectroscopy-of-mass-selected-flavin-adenine-dinucleotide-mono-anions-1805.05140</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absorption-and-luminescence-spectroscopy-of-mass-selected-flavin-adenine-dinucleotide-mono-anions-1805.05140"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absorption-and-luminescence-spectroscopy-of-mass-selected-flavin-adenine-dinucleotide-mono-anions-1805.05140"/></url>
<url><loc>https://scifaro.com/en/abs/ground-states-of-linear-rotor-chains-via-the-density-matrix-renormalization-group-1805.05420</loc><lastmod>2018-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ground-states-of-linear-rotor-chains-via-the-density-matrix-renormalization-group-1805.05420"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ground-states-of-linear-rotor-chains-via-the-density-matrix-renormalization-group-1805.05420"/></url>
<url><loc>https://scifaro.com/en/abs/systematic-study-of-relativistic-and-chemical-enhancements-of-mathcal-p-t-odd-effects-in-polar-diatomic-radicals-1805.05494</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematic-study-of-relativistic-and-chemical-enhancements-of-mathcal-p-t-odd-effects-in-polar-diatomic-radicals-1805.05494"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematic-study-of-relativistic-and-chemical-enhancements-of-mathcal-p-t-odd-effects-in-polar-diatomic-radicals-1805.05494"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-x-ray-spectroscopy-of-conical-intersections-1805.05733</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-x-ray-spectroscopy-of-conical-intersections-1805.05733"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-x-ray-spectroscopy-of-conical-intersections-1805.05733"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-co-operative-multi-environment-dynamics-in-a-dark-state-enhanced-photosynthetic-heat-engine-1805.05799</loc><lastmod>2018-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-co-operative-multi-environment-dynamics-in-a-dark-state-enhanced-photosynthetic-heat-engine-1805.05799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-co-operative-multi-environment-dynamics-in-a-dark-state-enhanced-photosynthetic-heat-engine-1805.05799"/></url>
<url><loc>https://scifaro.com/en/abs/a-path-integral-methodology-for-obtaining-thermodynamic-properties-of-nonadiabatic-systems-using-gaussian-mixture-distributions-1805.05971</loc><lastmod>2019-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-path-integral-methodology-for-obtaining-thermodynamic-properties-of-nonadiabatic-systems-using-gaussian-mixture-distributions-1805.05971"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-path-integral-methodology-for-obtaining-thermodynamic-properties-of-nonadiabatic-systems-using-gaussian-mixture-distributions-1805.05971"/></url>
<url><loc>https://scifaro.com/en/abs/a-local-tensor-that-unifies-kinetic-energy-density-and-vorticity-dependent-exchange-correlation-functionals-1805.06043</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-local-tensor-that-unifies-kinetic-energy-density-and-vorticity-dependent-exchange-correlation-functionals-1805.06043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-local-tensor-that-unifies-kinetic-energy-density-and-vorticity-dependent-exchange-correlation-functionals-1805.06043"/></url>
<url><loc>https://scifaro.com/en/abs/a-lagrangian-method-for-reactive-transport-with-solid-aqueous-chemical-phase-interaction-1805.06072</loc><lastmod>2019-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-lagrangian-method-for-reactive-transport-with-solid-aqueous-chemical-phase-interaction-1805.06072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-lagrangian-method-for-reactive-transport-with-solid-aqueous-chemical-phase-interaction-1805.06072"/></url>
<url><loc>https://scifaro.com/en/abs/tensor-decomposition-methods-for-correlated-electron-pairs-1805.06138</loc><lastmod>2018-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tensor-decomposition-methods-for-correlated-electron-pairs-1805.06138"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tensor-decomposition-methods-for-correlated-electron-pairs-1805.06138"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-vibronic-spectra-via-matsubara-dynamics-coping-with-the-sign-problem-1805.06195</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-vibronic-spectra-via-matsubara-dynamics-coping-with-the-sign-problem-1805.06195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-vibronic-spectra-via-matsubara-dynamics-coping-with-the-sign-problem-1805.06195"/></url>
<url><loc>https://scifaro.com/en/abs/probing-quantum-coherence-in-ultrafast-molecular-processes-an-ab-initio-approach-to-open-quantum-systems-1805.06392</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-quantum-coherence-in-ultrafast-molecular-processes-an-ab-initio-approach-to-open-quantum-systems-1805.06392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-quantum-coherence-in-ultrafast-molecular-processes-an-ab-initio-approach-to-open-quantum-systems-1805.06392"/></url>
<url><loc>https://scifaro.com/en/abs/imaging-the-renner-teller-effect-using-laser-induced-electron-diffraction-1805.06793</loc><lastmod>2022-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-the-renner-teller-effect-using-laser-induced-electron-diffraction-1805.06793"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-the-renner-teller-effect-using-laser-induced-electron-diffraction-1805.06793"/></url>
<url><loc>https://scifaro.com/en/abs/the-hierarchical-and-perturbative-forms-of-stochastic-schr-odinger-equations-and-their-applications-to-carrier-dynamics-in-organic-materials-1805.07539</loc><lastmod>2018-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-hierarchical-and-perturbative-forms-of-stochastic-schr-odinger-equations-and-their-applications-to-carrier-dynamics-in-organic-materials-1805.07539"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-hierarchical-and-perturbative-forms-of-stochastic-schr-odinger-equations-and-their-applications-to-carrier-dynamics-in-organic-materials-1805.07539"/></url>
<url><loc>https://scifaro.com/en/abs/unified-formulation-of-fundamental-and-optical-gap-problems-in-density-functional-theory-for-ensembles-1805.08715</loc><lastmod>2018-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unified-formulation-of-fundamental-and-optical-gap-problems-in-density-functional-theory-for-ensembles-1805.08715"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unified-formulation-of-fundamental-and-optical-gap-problems-in-density-functional-theory-for-ensembles-1805.08715"/></url>
<url><loc>https://scifaro.com/en/abs/strong-electron-correlation-in-nitrogenase-cofactor-femoco-1805.08746</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-electron-correlation-in-nitrogenase-cofactor-femoco-1805.08746"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-electron-correlation-in-nitrogenase-cofactor-femoco-1805.08746"/></url>
<url><loc>https://scifaro.com/en/abs/an-all-dftb-approach-to-the-parametrization-of-the-system-bath-hamiltonian-describing-exciton-vibrational-dynamics-of-molecular-assemblies-1805.08748</loc><lastmod>2018-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-all-dftb-approach-to-the-parametrization-of-the-system-bath-hamiltonian-describing-exciton-vibrational-dynamics-of-molecular-assemblies-1805.08748"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-all-dftb-approach-to-the-parametrization-of-the-system-bath-hamiltonian-describing-exciton-vibrational-dynamics-of-molecular-assemblies-1805.08748"/></url>
<url><loc>https://scifaro.com/en/abs/double-and-single-sided-bis-functionalization-of-graphene-1805.09128</loc><lastmod>2018-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-and-single-sided-bis-functionalization-of-graphene-1805.09128"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-and-single-sided-bis-functionalization-of-graphene-1805.09128"/></url>
<url><loc>https://scifaro.com/en/abs/highly-integrated-organic-inorganic-hybrid-architectures-by-non-covalent-exfoliation-of-graphite-and-assembly-with-zinc-oxide-nanoparticles-1805.09129</loc><lastmod>2018-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-integrated-organic-inorganic-hybrid-architectures-by-non-covalent-exfoliation-of-graphite-and-assembly-with-zinc-oxide-nanoparticles-1805.09129"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-integrated-organic-inorganic-hybrid-architectures-by-non-covalent-exfoliation-of-graphite-and-assembly-with-zinc-oxide-nanoparticles-1805.09129"/></url>
<url><loc>https://scifaro.com/en/abs/noncovalent-functionalization-of-black-phosphorus-1805.09130</loc><lastmod>2018-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noncovalent-functionalization-of-black-phosphorus-1805.09130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noncovalent-functionalization-of-black-phosphorus-1805.09130"/></url>
<url><loc>https://scifaro.com/en/abs/substrate-modulated-reductive-graphene-functionalization-1805.09131</loc><lastmod>2018-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/substrate-modulated-reductive-graphene-functionalization-1805.09131"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/substrate-modulated-reductive-graphene-functionalization-1805.09131"/></url>
<url><loc>https://scifaro.com/en/abs/reductive-functionalization-of-graphenides-with-nickel-ii-porphyrin-diazonium-compounds-1805.09132</loc><lastmod>2018-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reductive-functionalization-of-graphenides-with-nickel-ii-porphyrin-diazonium-compounds-1805.09132"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reductive-functionalization-of-graphenides-with-nickel-ii-porphyrin-diazonium-compounds-1805.09132"/></url>
<url><loc>https://scifaro.com/en/abs/stacked-generalization-approach-to-improve-prediction-of-molecular-atomization-energies-1805.09507</loc><lastmod>2018-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stacked-generalization-approach-to-improve-prediction-of-molecular-atomization-energies-1805.09507"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stacked-generalization-approach-to-improve-prediction-of-molecular-atomization-energies-1805.09507"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-energies-from-diffusion-monte-carlo-using-selected-configuration-interaction-nodes-1805.09553</loc><lastmod>2018-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-energies-from-diffusion-monte-carlo-using-selected-configuration-interaction-nodes-1805.09553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-energies-from-diffusion-monte-carlo-using-selected-configuration-interaction-nodes-1805.09553"/></url>
<url><loc>https://scifaro.com/en/abs/error-controlled-exploration-of-chemical-reaction-networks-with-gaussian-processes-1805.09886</loc><lastmod>2018-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/error-controlled-exploration-of-chemical-reaction-networks-with-gaussian-processes-1805.09886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/error-controlled-exploration-of-chemical-reaction-networks-with-gaussian-processes-1805.09886"/></url>
<url><loc>https://scifaro.com/en/abs/drug-membrane-permeability-across-chemical-space-1805.10158</loc><lastmod>2018-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/drug-membrane-permeability-across-chemical-space-1805.10158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/drug-membrane-permeability-across-chemical-space-1805.10158"/></url>
<url><loc>https://scifaro.com/en/abs/a-coherent-derivation-of-the-ewald-summation-for-arbitrary-orders-of-multipoles-the-self-terms-1805.10363</loc><lastmod>2021-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-coherent-derivation-of-the-ewald-summation-for-arbitrary-orders-of-multipoles-the-self-terms-1805.10363"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-coherent-derivation-of-the-ewald-summation-for-arbitrary-orders-of-multipoles-the-self-terms-1805.10363"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-quantum-dynamics-with-frozen-width-gaussians-1805.10460</loc><lastmod>2018-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-quantum-dynamics-with-frozen-width-gaussians-1805.10460"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-quantum-dynamics-with-frozen-width-gaussians-1805.10460"/></url>
<url><loc>https://scifaro.com/en/abs/energy-flow-in-the-photosystem-i-supercomplex-comparison-of-approximative-theories-with-dm-heom-1805.10484</loc><lastmod>2018-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-flow-in-the-photosystem-i-supercomplex-comparison-of-approximative-theories-with-dm-heom-1805.10484"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-flow-in-the-photosystem-i-supercomplex-comparison-of-approximative-theories-with-dm-heom-1805.10484"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-studies-of-interaction-between-asphaltenes-and-solvents-1805.10555</loc><lastmod>2019-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-studies-of-interaction-between-asphaltenes-and-solvents-1805.10555"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-studies-of-interaction-between-asphaltenes-and-solvents-1805.10555"/></url>
<url><loc>https://scifaro.com/en/abs/ac-driven-electro-osmotic-flow-in-charged-nanopores-1805.10845</loc><lastmod>2018-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ac-driven-electro-osmotic-flow-in-charged-nanopores-1805.10845"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ac-driven-electro-osmotic-flow-in-charged-nanopores-1805.10845"/></url>
<url><loc>https://scifaro.com/en/abs/a-generative-model-for-electron-paths-1805.10970</loc><lastmod>2019-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-generative-model-for-electron-paths-1805.10970"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-generative-model-for-electron-paths-1805.10970"/></url>
<url><loc>https://scifaro.com/en/abs/self-assembly-of-diamondoid-molecules-and-derivatives-md-simulations-and-dft-calculations-1805.11132</loc><lastmod>2018-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-assembly-of-diamondoid-molecules-and-derivatives-md-simulations-and-dft-calculations-1805.11132"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-assembly-of-diamondoid-molecules-and-derivatives-md-simulations-and-dft-calculations-1805.11132"/></url>
<url><loc>https://scifaro.com/en/abs/a-hydroxamic-acid-methacrylated-collagen-conjugate-for-the-modulation-of-inflammation-related-mmp-upregulation-1805.11133</loc><lastmod>2018-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-hydroxamic-acid-methacrylated-collagen-conjugate-for-the-modulation-of-inflammation-related-mmp-upregulation-1805.11133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-hydroxamic-acid-methacrylated-collagen-conjugate-for-the-modulation-of-inflammation-related-mmp-upregulation-1805.11133"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-shifts-in-molecular-solids-by-machine-learning-1805.11541</loc><lastmod>2018-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-shifts-in-molecular-solids-by-machine-learning-1805.11541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-shifts-in-molecular-solids-by-machine-learning-1805.11541"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-the-sers-spectra-of-copper-phthalocianine-adsorbed-on-gallium-phosphide-substrates-1805.11599</loc><lastmod>2018-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-the-sers-spectra-of-copper-phthalocianine-adsorbed-on-gallium-phosphide-substrates-1805.11599"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-the-sers-spectra-of-copper-phthalocianine-adsorbed-on-gallium-phosphide-substrates-1805.11599"/></url>
<url><loc>https://scifaro.com/en/abs/novel-edta-ligands-containing-an-integral-perylene-bisimide-pbi-core-as-optical-reporter-unit-1805.11661</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/novel-edta-ligands-containing-an-integral-perylene-bisimide-pbi-core-as-optical-reporter-unit-1805.11661"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/novel-edta-ligands-containing-an-integral-perylene-bisimide-pbi-core-as-optical-reporter-unit-1805.11661"/></url>
<url><loc>https://scifaro.com/en/abs/alkoxide-intercalated-nife-layered-double-hydroxides-magnetic-nanosheets-as-efficient-water-oxidation-electrocatalysts-1805.11668</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alkoxide-intercalated-nife-layered-double-hydroxides-magnetic-nanosheets-as-efficient-water-oxidation-electrocatalysts-1805.11668"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alkoxide-intercalated-nife-layered-double-hydroxides-magnetic-nanosheets-as-efficient-water-oxidation-electrocatalysts-1805.11668"/></url>
<url><loc>https://scifaro.com/en/abs/reductive-arylation-of-graphene-insights-into-a-reversible-carbon-allotrope-functionalization-reaction-1805.11669</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reductive-arylation-of-graphene-insights-into-a-reversible-carbon-allotrope-functionalization-reaction-1805.11669"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reductive-arylation-of-graphene-insights-into-a-reversible-carbon-allotrope-functionalization-reaction-1805.11669"/></url>
<url><loc>https://scifaro.com/en/abs/novel-lambda-3-iodane-based-functionalization-of-synthetic-carbon-allotropes-scas-common-concepts-and-quantification-of-the-degree-of-addition-1805.11670</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/novel-lambda-3-iodane-based-functionalization-of-synthetic-carbon-allotropes-scas-common-concepts-and-quantification-of-the-degree-of-addition-1805.11670"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/novel-lambda-3-iodane-based-functionalization-of-synthetic-carbon-allotropes-scas-common-concepts-and-quantification-of-the-degree-of-addition-1805.11670"/></url>
<url><loc>https://scifaro.com/en/abs/polyhydrogenated-graphene-excited-state-dynamics-in-photo-and-electroactive-2d-domains-1805.11671</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polyhydrogenated-graphene-excited-state-dynamics-in-photo-and-electroactive-2d-domains-1805.11671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polyhydrogenated-graphene-excited-state-dynamics-in-photo-and-electroactive-2d-domains-1805.11671"/></url>
<url><loc>https://scifaro.com/en/abs/basic-insights-into-tunable-graphene-hydrogenation-1805.11672</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/basic-insights-into-tunable-graphene-hydrogenation-1805.11672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/basic-insights-into-tunable-graphene-hydrogenation-1805.11672"/></url>
<url><loc>https://scifaro.com/en/abs/heteroatomic-jet-fuel-components-lichen-substances-as-fuel-component-and-potential-additives-1805.11675</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heteroatomic-jet-fuel-components-lichen-substances-as-fuel-component-and-potential-additives-1805.11675"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heteroatomic-jet-fuel-components-lichen-substances-as-fuel-component-and-potential-additives-1805.11675"/></url>
<url><loc>https://scifaro.com/en/abs/oxygen-reduction-reaction-rapid-prediction-of-mass-activity-of-unstrained-nanostructured-platinum-electrocatalysts-1805.11695</loc><lastmod>2018-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oxygen-reduction-reaction-rapid-prediction-of-mass-activity-of-unstrained-nanostructured-platinum-electrocatalysts-1805.11695"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oxygen-reduction-reaction-rapid-prediction-of-mass-activity-of-unstrained-nanostructured-platinum-electrocatalysts-1805.11695"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-the-efficiency-of-density-functionals-with-a-novel-iso-orbital-indicator-1805.11707</loc><lastmod>2019-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-the-efficiency-of-density-functionals-with-a-novel-iso-orbital-indicator-1805.11707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-the-efficiency-of-density-functionals-with-a-novel-iso-orbital-indicator-1805.11707"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-calculation-of-pressure-for-confined-atomic-and-molecular-systems-using-the-extreme-pressure-polarizable-continuum-model-1805.11890</loc><lastmod>2018-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-calculation-of-pressure-for-confined-atomic-and-molecular-systems-using-the-extreme-pressure-polarizable-continuum-model-1805.11890"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-calculation-of-pressure-for-confined-atomic-and-molecular-systems-using-the-extreme-pressure-polarizable-continuum-model-1805.11890"/></url>
<url><loc>https://scifaro.com/en/abs/automated-calculation-of-thermal-rate-coefficients-using-ring-polymer-molecular-dynamics-and-machine-learning-interatomic-potentials-with-active-learning-1805.11924</loc><lastmod>2018-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-calculation-of-thermal-rate-coefficients-using-ring-polymer-molecular-dynamics-and-machine-learning-interatomic-potentials-with-active-learning-1805.11924"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-calculation-of-thermal-rate-coefficients-using-ring-polymer-molecular-dynamics-and-machine-learning-interatomic-potentials-with-active-learning-1805.11924"/></url>
<url><loc>https://scifaro.com/en/abs/viscosity-and-self-diffusion-of-supercooled-and-stretched-water-from-molecular-dynamics-simulations-1805.11957</loc><lastmod>2018-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/viscosity-and-self-diffusion-of-supercooled-and-stretched-water-from-molecular-dynamics-simulations-1805.11957"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/viscosity-and-self-diffusion-of-supercooled-and-stretched-water-from-molecular-dynamics-simulations-1805.11957"/></url>
<url><loc>https://scifaro.com/en/abs/optimal-power-series-expansions-of-the-kohn-sham-potential-1805.12239</loc><lastmod>2018-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-power-series-expansions-of-the-kohn-sham-potential-1805.12239"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-power-series-expansions-of-the-kohn-sham-potential-1805.12239"/></url>
<url><loc>https://scifaro.com/en/abs/spatially-separating-the-conformers-of-the-dipeptide-ac-phe-cys-nh-text-2-1805.12396</loc><lastmod>2018-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spatially-separating-the-conformers-of-the-dipeptide-ac-phe-cys-nh-text-2-1805.12396"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spatially-separating-the-conformers-of-the-dipeptide-ac-phe-cys-nh-text-2-1805.12396"/></url>
<url><loc>https://scifaro.com/en/abs/algorithm-for-mesoscopic-advection-diffusion-1805.12438</loc><lastmod>2020-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/algorithm-for-mesoscopic-advection-diffusion-1805.12438"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/algorithm-for-mesoscopic-advection-diffusion-1805.12438"/></url>
<url><loc>https://scifaro.com/en/abs/bayesian-uncertainty-quantification-in-inverse-modelling-of-electrochemical-systems-1806.00036</loc><lastmod>2020-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bayesian-uncertainty-quantification-in-inverse-modelling-of-electrochemical-systems-1806.00036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bayesian-uncertainty-quantification-in-inverse-modelling-of-electrochemical-systems-1806.00036"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-the-constrained-minimization-of-the-total-energy-in-density-functional-approximations-the-electron-repulsion-density-and-potential-1806.00092</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-the-constrained-minimization-of-the-total-energy-in-density-functional-approximations-the-electron-repulsion-density-and-potential-1806.00092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-the-constrained-minimization-of-the-total-energy-in-density-functional-approximations-the-electron-repulsion-density-and-potential-1806.00092"/></url>
<url><loc>https://scifaro.com/en/abs/transferability-in-machine-learning-for-electronic-structure-via-the-molecular-orbital-basis-1806.00133</loc><lastmod>2018-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transferability-in-machine-learning-for-electronic-structure-via-the-molecular-orbital-basis-1806.00133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transferability-in-machine-learning-for-electronic-structure-via-the-molecular-orbital-basis-1806.00133"/></url>
<url><loc>https://scifaro.com/en/abs/triplet-tuning-a-novel-family-of-non-empirical-exchange-correlation-functionals-1806.00317</loc><lastmod>2019-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/triplet-tuning-a-novel-family-of-non-empirical-exchange-correlation-functionals-1806.00317"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/triplet-tuning-a-novel-family-of-non-empirical-exchange-correlation-functionals-1806.00317"/></url>
<url><loc>https://scifaro.com/en/abs/constrained-variational-quantum-eigensolver-quantum-computer-search-engine-in-the-fock-space-1806.00461</loc><lastmod>2018-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/constrained-variational-quantum-eigensolver-quantum-computer-search-engine-in-the-fock-space-1806.00461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/constrained-variational-quantum-eigensolver-quantum-computer-search-engine-in-the-fock-space-1806.00461"/></url>
<url><loc>https://scifaro.com/en/abs/electron-correlation-effects-of-the-tho-and-ths-molecules-in-the-spinor-basis-a-relativistic-coupled-cluster-study-of-ground-and-excited-states-properties-1806.00476</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-correlation-effects-of-the-tho-and-ths-molecules-in-the-spinor-basis-a-relativistic-coupled-cluster-study-of-ground-and-excited-states-properties-1806.00476"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-correlation-effects-of-the-tho-and-ths-molecules-in-the-spinor-basis-a-relativistic-coupled-cluster-study-of-ground-and-excited-states-properties-1806.00476"/></url>
<url><loc>https://scifaro.com/en/abs/windowless-observation-of-evaporation-induced-coarsening-of-au-pt-nanoparticles-in-polymer-nanoreactors-1806.00497</loc><lastmod>2018-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/windowless-observation-of-evaporation-induced-coarsening-of-au-pt-nanoparticles-in-polymer-nanoreactors-1806.00497"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/windowless-observation-of-evaporation-induced-coarsening-of-au-pt-nanoparticles-in-polymer-nanoreactors-1806.00497"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-kinetics-in-plasma-as-a-functional-problem-a-flux-matching-approach-1806.00498</loc><lastmod>2018-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-kinetics-in-plasma-as-a-functional-problem-a-flux-matching-approach-1806.00498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-kinetics-in-plasma-as-a-functional-problem-a-flux-matching-approach-1806.00498"/></url>
<url><loc>https://scifaro.com/en/abs/relation-between-fermionic-and-qubit-mean-fields-in-the-electronic-structure-problem-1806.00514</loc><lastmod>2021-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relation-between-fermionic-and-qubit-mean-fields-in-the-electronic-structure-problem-1806.00514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relation-between-fermionic-and-qubit-mean-fields-in-the-electronic-structure-problem-1806.00514"/></url>
<url><loc>https://scifaro.com/en/abs/strongly-coupled-bacteriochlorophyll-dyad-studied-using-two-dimensional-phase-modulated-fluorescence-detected-electronic-spectroscopy-1806.00896</loc><lastmod>2018-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strongly-coupled-bacteriochlorophyll-dyad-studied-using-two-dimensional-phase-modulated-fluorescence-detected-electronic-spectroscopy-1806.00896"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strongly-coupled-bacteriochlorophyll-dyad-studied-using-two-dimensional-phase-modulated-fluorescence-detected-electronic-spectroscopy-1806.00896"/></url>
<url><loc>https://scifaro.com/en/abs/adaptive-coupling-of-a-deep-neural-network-potential-to-a-classical-force-field-1806.01020</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adaptive-coupling-of-a-deep-neural-network-potential-to-a-classical-force-field-1806.01020"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adaptive-coupling-of-a-deep-neural-network-potential-to-a-classical-force-field-1806.01020"/></url>
<url><loc>https://scifaro.com/en/abs/magnetosensitivity-in-dipolarly-coupled-three-spin-systems-1806.01519</loc><lastmod>2018-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetosensitivity-in-dipolarly-coupled-three-spin-systems-1806.01519"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetosensitivity-in-dipolarly-coupled-three-spin-systems-1806.01519"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-electronic-couplings-for-molecular-charge-transfer-using-optimally-tuned-range-separated-hybrid-functionals-1806.01808</loc><lastmod>2018-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-electronic-couplings-for-molecular-charge-transfer-using-optimally-tuned-range-separated-hybrid-functionals-1806.01808"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-electronic-couplings-for-molecular-charge-transfer-using-optimally-tuned-range-separated-hybrid-functionals-1806.01808"/></url>
<url><loc>https://scifaro.com/en/abs/spin-unrestricted-self-energy-embedding-theory-1806.01950</loc><lastmod>2018-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-unrestricted-self-energy-embedding-theory-1806.01950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-unrestricted-self-energy-embedding-theory-1806.01950"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-challenge-to-improve-the-density-response-with-unusual-gradient-approximations-1806.02545</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-challenge-to-improve-the-density-response-with-unusual-gradient-approximations-1806.02545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-challenge-to-improve-the-density-response-with-unusual-gradient-approximations-1806.02545"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-calculation-of-ground-state-splitting-in-symmetric-double-well-potential-1806.02677</loc><lastmod>2018-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-calculation-of-ground-state-splitting-in-symmetric-double-well-potential-1806.02677"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-calculation-of-ground-state-splitting-in-symmetric-double-well-potential-1806.02677"/></url>
<url><loc>https://scifaro.com/en/abs/guest-editorial-special-topic-on-data-enabled-theoretical-chemistry-1806.02690</loc><lastmod>2018-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/guest-editorial-special-topic-on-data-enabled-theoretical-chemistry-1806.02690"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/guest-editorial-special-topic-on-data-enabled-theoretical-chemistry-1806.02690"/></url>
<url><loc>https://scifaro.com/en/abs/frequency-analysis-and-resonant-operation-for-efficient-capacitive-deionization-1806.02859</loc><lastmod>2018-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frequency-analysis-and-resonant-operation-for-efficient-capacitive-deionization-1806.02859"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frequency-analysis-and-resonant-operation-for-efficient-capacitive-deionization-1806.02859"/></url>
<url><loc>https://scifaro.com/en/abs/intramolecular-vibrations-complement-the-robustness-of-primary-charge-separation-in-a-dimer-model-of-the-photosystem-ii-reaction-center-1806.02986</loc><lastmod>2018-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intramolecular-vibrations-complement-the-robustness-of-primary-charge-separation-in-a-dimer-model-of-the-photosystem-ii-reaction-center-1806.02986"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intramolecular-vibrations-complement-the-robustness-of-primary-charge-separation-in-a-dimer-model-of-the-photosystem-ii-reaction-center-1806.02986"/></url>
<url><loc>https://scifaro.com/en/abs/high-throughput-free-energies-and-water-maps-for-drug-discovery-by-molecular-density-functional-theory-1806.03118</loc><lastmod>2018-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-throughput-free-energies-and-water-maps-for-drug-discovery-by-molecular-density-functional-theory-1806.03118"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-throughput-free-energies-and-water-maps-for-drug-discovery-by-molecular-density-functional-theory-1806.03118"/></url>
<url><loc>https://scifaro.com/en/abs/can-ensemble-density-functional-theory-yield-accurate-double-excitations-1806.03392</loc><lastmod>2020-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-ensemble-density-functional-theory-yield-accurate-double-excitations-1806.03392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-ensemble-density-functional-theory-yield-accurate-double-excitations-1806.03392"/></url>
<url><loc>https://scifaro.com/en/abs/hill-s-nano-thermodynamics-is-equivalent-with-gibbs-thermodynamics-for-curved-surfaces-1806.03444</loc><lastmod>2018-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hill-s-nano-thermodynamics-is-equivalent-with-gibbs-thermodynamics-for-curved-surfaces-1806.03444"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hill-s-nano-thermodynamics-is-equivalent-with-gibbs-thermodynamics-for-curved-surfaces-1806.03444"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-wave-length-dependent-raman-spectra-placzek-approximation-and-beyond-1806.03840</loc><lastmod>2019-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-wave-length-dependent-raman-spectra-placzek-approximation-and-beyond-1806.03840"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-wave-length-dependent-raman-spectra-placzek-approximation-and-beyond-1806.03840"/></url>
<url><loc>https://scifaro.com/en/abs/identifying-strong-field-effects-in-indirect-photofragmentation-reactions-1806.04078</loc><lastmod>2018-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identifying-strong-field-effects-in-indirect-photofragmentation-reactions-1806.04078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identifying-strong-field-effects-in-indirect-photofragmentation-reactions-1806.04078"/></url>
<url><loc>https://scifaro.com/en/abs/sum-rules-of-the-response-potential-in-the-strongly-interacting-limit-of-dft-1806.04196</loc><lastmod>2018-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sum-rules-of-the-response-potential-in-the-strongly-interacting-limit-of-dft-1806.04196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sum-rules-of-the-response-potential-in-the-strongly-interacting-limit-of-dft-1806.04196"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-multi-component-density-functional-theory-for-coupled-electron-positron-dynamics-1806.04477</loc><lastmod>2018-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-multi-component-density-functional-theory-for-coupled-electron-positron-dynamics-1806.04477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-multi-component-density-functional-theory-for-coupled-electron-positron-dynamics-1806.04477"/></url>
<url><loc>https://scifaro.com/en/abs/a-necessary-trade-off-for-semiclassical-electrodynamics-accurate-short-range-coulomb-interactions-versus-the-enforcement-of-causality-1806.04623</loc><lastmod>2018-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-necessary-trade-off-for-semiclassical-electrodynamics-accurate-short-range-coulomb-interactions-versus-the-enforcement-of-causality-1806.04623"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-necessary-trade-off-for-semiclassical-electrodynamics-accurate-short-range-coulomb-interactions-versus-the-enforcement-of-causality-1806.04623"/></url>
<url><loc>https://scifaro.com/en/abs/ehrenfest-r-dynamics-i-a-mixed-quantum-classical-electrodynamics-simulation-of-spontaneous-emission-1806.04662</loc><lastmod>2019-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ehrenfest-r-dynamics-i-a-mixed-quantum-classical-electrodynamics-simulation-of-spontaneous-emission-1806.04662"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ehrenfest-r-dynamics-i-a-mixed-quantum-classical-electrodynamics-simulation-of-spontaneous-emission-1806.04662"/></url>
<url><loc>https://scifaro.com/en/abs/diagnostics-of-data-driven-models-uncertainty-quantification-of-pm7-semi-empirical-quantum-chemical-method-1806.04813</loc><lastmod>2018-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diagnostics-of-data-driven-models-uncertainty-quantification-of-pm7-semi-empirical-quantum-chemical-method-1806.04813"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diagnostics-of-data-driven-models-uncertainty-quantification-of-pm7-semi-empirical-quantum-chemical-method-1806.04813"/></url>
<url><loc>https://scifaro.com/en/abs/selected-configuration-interaction-dressed-by-perturbation-1806.04970</loc><lastmod>2018-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selected-configuration-interaction-dressed-by-perturbation-1806.04970"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selected-configuration-interaction-dressed-by-perturbation-1806.04970"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-prerequisites-for-industrial-catalysts-accurately-assessing-h-atom-and-h-2-physical-adsorption-energy-on-pt-111-1806.05068</loc><lastmod>2018-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-prerequisites-for-industrial-catalysts-accurately-assessing-h-atom-and-h-2-physical-adsorption-energy-on-pt-111-1806.05068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-prerequisites-for-industrial-catalysts-accurately-assessing-h-atom-and-h-2-physical-adsorption-energy-on-pt-111-1806.05068"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-generalized-gradient-approximation-for-the-non-interacting-kinetic-energy-density-functional-1806.05205</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-generalized-gradient-approximation-for-the-non-interacting-kinetic-energy-density-functional-1806.05205"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-generalized-gradient-approximation-for-the-non-interacting-kinetic-energy-density-functional-1806.05205"/></url>
<url><loc>https://scifaro.com/en/abs/influence-spatial-degeneracy-on-rotational-spectroscopy-three-wave-mixing-and-enantiomeric-state-separation-of-chiral-molecules-1806.05274</loc><lastmod>2018-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-spatial-degeneracy-on-rotational-spectroscopy-three-wave-mixing-and-enantiomeric-state-separation-of-chiral-molecules-1806.05274"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-spatial-degeneracy-on-rotational-spectroscopy-three-wave-mixing-and-enantiomeric-state-separation-of-chiral-molecules-1806.05274"/></url>
<url><loc>https://scifaro.com/en/abs/all-atom-remd-simulation-of-poly-n-isopropylacrylamide-thermodynamics-in-water-a-model-with-a-distinct-2-state-behavior-1806.05592</loc><lastmod>2018-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/all-atom-remd-simulation-of-poly-n-isopropylacrylamide-thermodynamics-in-water-a-model-with-a-distinct-2-state-behavior-1806.05592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/all-atom-remd-simulation-of-poly-n-isopropylacrylamide-thermodynamics-in-water-a-model-with-a-distinct-2-state-behavior-1806.05592"/></url>
<url><loc>https://scifaro.com/en/abs/comprehensive-analysis-of-the-neglect-of-diatomic-differential-overlap-approximation-1806.05615</loc><lastmod>2018-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comprehensive-analysis-of-the-neglect-of-diatomic-differential-overlap-approximation-1806.05615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comprehensive-analysis-of-the-neglect-of-diatomic-differential-overlap-approximation-1806.05615"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-polymorphism-in-molecular-crystals-using-orientational-entropy-1806.06006</loc><lastmod>2020-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-polymorphism-in-molecular-crystals-using-orientational-entropy-1806.06006"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-polymorphism-in-molecular-crystals-using-orientational-entropy-1806.06006"/></url>
<url><loc>https://scifaro.com/en/abs/semiempirical-molecular-orbital-models-based-on-the-neglect-of-diatomic-differential-overlap-approximation-1806.06147</loc><lastmod>2018-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiempirical-molecular-orbital-models-based-on-the-neglect-of-diatomic-differential-overlap-approximation-1806.06147"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiempirical-molecular-orbital-models-based-on-the-neglect-of-diatomic-differential-overlap-approximation-1806.06147"/></url>
<url><loc>https://scifaro.com/en/abs/isa-pol-distributed-polarizabilities-and-dispersion-models-from-a-basis-space-implementation-of-the-iterated-stockholder-atoms-procedure-1806.06737</loc><lastmod>2018-09-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isa-pol-distributed-polarizabilities-and-dispersion-models-from-a-basis-space-implementation-of-the-iterated-stockholder-atoms-procedure-1806.06737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isa-pol-distributed-polarizabilities-and-dispersion-models-from-a-basis-space-implementation-of-the-iterated-stockholder-atoms-procedure-1806.06737"/></url>
<url><loc>https://scifaro.com/en/abs/superhalogen-and-superacid-1806.06969</loc><lastmod>2019-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/superhalogen-and-superacid-1806.06969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/superhalogen-and-superacid-1806.06969"/></url>
<url><loc>https://scifaro.com/en/abs/face-gasoline-surrogates-formulated-by-an-enhanced-multivariate-optimization-framework-1806.06982</loc><lastmod>2018-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/face-gasoline-surrogates-formulated-by-an-enhanced-multivariate-optimization-framework-1806.06982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/face-gasoline-surrogates-formulated-by-an-enhanced-multivariate-optimization-framework-1806.06982"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-kinetics-in-the-production-of-pd-nanoparticles-in-reverse-microemulsions-effect-on-particle-size-1806.06989</loc><lastmod>2018-06-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-kinetics-in-the-production-of-pd-nanoparticles-in-reverse-microemulsions-effect-on-particle-size-1806.06989"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-kinetics-in-the-production-of-pd-nanoparticles-in-reverse-microemulsions-effect-on-particle-size-1806.06989"/></url>
<url><loc>https://scifaro.com/en/abs/collective-conical-intersections-through-light-matter-coupling-in-a-cavity-1806.07252</loc><lastmod>2018-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collective-conical-intersections-through-light-matter-coupling-in-a-cavity-1806.07252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collective-conical-intersections-through-light-matter-coupling-in-a-cavity-1806.07252"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-density-matrix-renormalization-group-algorithms-for-nearly-exact-absorption-and-fluorescence-spectra-of-molecular-aggregates-at-both-zero-and-finite-temperature-1806.07443</loc><lastmod>2019-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-density-matrix-renormalization-group-algorithms-for-nearly-exact-absorption-and-fluorescence-spectra-of-molecular-aggregates-at-both-zero-and-finite-temperature-1806.07443"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-density-matrix-renormalization-group-algorithms-for-nearly-exact-absorption-and-fluorescence-spectra-of-molecular-aggregates-at-both-zero-and-finite-temperature-1806.07443"/></url>
<url><loc>https://scifaro.com/en/abs/unravelling-the-stereodynamics-of-cold-hd-h2-collisions-1806.07455</loc><lastmod>2018-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unravelling-the-stereodynamics-of-cold-hd-h2-collisions-1806.07455"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unravelling-the-stereodynamics-of-cold-hd-h2-collisions-1806.07455"/></url>
<url><loc>https://scifaro.com/en/abs/empirical-corrections-and-pair-interaction-energies-in-the-fragment-molecular-orbital-method-1806.07628</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/empirical-corrections-and-pair-interaction-energies-in-the-fragment-molecular-orbital-method-1806.07628"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/empirical-corrections-and-pair-interaction-energies-in-the-fragment-molecular-orbital-method-1806.07628"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-trajectory-similarity-and-configuration-similarity-in-on-the-fly-surface-hopping-simulation-on-multi-channel-nonadiabatic-photoisomerization-dynamics-1806.07655</loc><lastmod>2019-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-trajectory-similarity-and-configuration-similarity-in-on-the-fly-surface-hopping-simulation-on-multi-channel-nonadiabatic-photoisomerization-dynamics-1806.07655"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-trajectory-similarity-and-configuration-similarity-in-on-the-fly-surface-hopping-simulation-on-multi-channel-nonadiabatic-photoisomerization-dynamics-1806.07655"/></url>
<url><loc>https://scifaro.com/en/abs/phase-space-wavepacket-dynamics-of-internal-conversion-via-conical-intersection-multi-state-quantum-fokker-planck-equation-approach-1806.07821</loc><lastmod>2019-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-space-wavepacket-dynamics-of-internal-conversion-via-conical-intersection-multi-state-quantum-fokker-planck-equation-approach-1806.07821"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-space-wavepacket-dynamics-of-internal-conversion-via-conical-intersection-multi-state-quantum-fokker-planck-equation-approach-1806.07821"/></url>
<url><loc>https://scifaro.com/en/abs/configuration-interaction-singles-with-spin-orbit-coupling-constructing-spin-adiabatic-states-and-their-analytical-nuclear-gradients-1806.07835</loc><lastmod>2019-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/configuration-interaction-singles-with-spin-orbit-coupling-constructing-spin-adiabatic-states-and-their-analytical-nuclear-gradients-1806.07835"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/configuration-interaction-singles-with-spin-orbit-coupling-constructing-spin-adiabatic-states-and-their-analytical-nuclear-gradients-1806.07835"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-multidimensional-spectroscopy-of-dilute-gas-phase-nanosystems-1806.08314</loc><lastmod>2019-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-multidimensional-spectroscopy-of-dilute-gas-phase-nanosystems-1806.08314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-multidimensional-spectroscopy-of-dilute-gas-phase-nanosystems-1806.08314"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-dynamics-of-cyanohydrins-with-hydrosulfide-in-water-1806.08841</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-dynamics-of-cyanohydrins-with-hydrosulfide-in-water-1806.08841"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-dynamics-of-cyanohydrins-with-hydrosulfide-in-water-1806.08841"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-of-single-molecule-stokes-shifts-influence-of-conformation-and-environment-1806.08951</loc><lastmod>2018-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-of-single-molecule-stokes-shifts-influence-of-conformation-and-environment-1806.08951"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-of-single-molecule-stokes-shifts-influence-of-conformation-and-environment-1806.08951"/></url>
<url><loc>https://scifaro.com/en/abs/using-a-high-throughput-screening-algorithm-and-relativistic-density-functional-theory-to-find-chelating-agents-for-separation-of-radioactive-waste-1806.09733</loc><lastmod>2018-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-a-high-throughput-screening-algorithm-and-relativistic-density-functional-theory-to-find-chelating-agents-for-separation-of-radioactive-waste-1806.09733"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-a-high-throughput-screening-algorithm-and-relativistic-density-functional-theory-to-find-chelating-agents-for-separation-of-radioactive-waste-1806.09733"/></url>
<url><loc>https://scifaro.com/en/abs/transport-properties-of-gamma-aminobutyric-acid-in-water-1806.09956</loc><lastmod>2018-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transport-properties-of-gamma-aminobutyric-acid-in-water-1806.09956"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transport-properties-of-gamma-aminobutyric-acid-in-water-1806.09956"/></url>
<url><loc>https://scifaro.com/en/abs/asphaltene-aggregation-due-to-waterflooding-a-molecular-dynamics-study-1806.10011</loc><lastmod>2018-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asphaltene-aggregation-due-to-waterflooding-a-molecular-dynamics-study-1806.10011"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asphaltene-aggregation-due-to-waterflooding-a-molecular-dynamics-study-1806.10011"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-non-adiabatic-approximations-to-the-exchange-correlation-functional-of-tddft-1806.10267</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-non-adiabatic-approximations-to-the-exchange-correlation-functional-of-tddft-1806.10267"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-non-adiabatic-approximations-to-the-exchange-correlation-functional-of-tddft-1806.10267"/></url>
<url><loc>https://scifaro.com/en/abs/ftir-and-gcms-analysis-of-epoxy-resin-decomposition-products-feeding-the-flame-during-ul-94-standard-flammability-test-application-to-the-understanding-of-the-blowing-out-effect-in-epoxy-polyhedral-silsesquioxane-formulations-1806.10921</loc><lastmod>2018-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ftir-and-gcms-analysis-of-epoxy-resin-decomposition-products-feeding-the-flame-during-ul-94-standard-flammability-test-application-to-the-understanding-of-the-blowing-out-effect-in-epoxy-polyhedral-silsesquioxane-formulations-1806.10921"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ftir-and-gcms-analysis-of-epoxy-resin-decomposition-products-feeding-the-flame-during-ul-94-standard-flammability-test-application-to-the-understanding-of-the-blowing-out-effect-in-epoxy-polyhedral-silsesquioxane-formulations-1806.10921"/></url>
<url><loc>https://scifaro.com/en/abs/using-fluorescence-detected-two-dimensional-spectroscopy-to-investigate-initial-exciton-delocalization-between-coupled-chromophores-1806.10941</loc><lastmod>2018-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-fluorescence-detected-two-dimensional-spectroscopy-to-investigate-initial-exciton-delocalization-between-coupled-chromophores-1806.10941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-fluorescence-detected-two-dimensional-spectroscopy-to-investigate-initial-exciton-delocalization-between-coupled-chromophores-1806.10941"/></url>
<url><loc>https://scifaro.com/en/abs/recent-advances-in-the-computational-chemistry-of-soft-porous-crystals-1806.11017</loc><lastmod>2018-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recent-advances-in-the-computational-chemistry-of-soft-porous-crystals-1806.11017"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recent-advances-in-the-computational-chemistry-of-soft-porous-crystals-1806.11017"/></url>
<url><loc>https://scifaro.com/en/abs/restricted-basis-set-coupled-channel-calculations-on-atom-molecule-collisions-in-magnetic-fields-1806.11312</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/restricted-basis-set-coupled-channel-calculations-on-atom-molecule-collisions-in-magnetic-fields-1806.11312"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/restricted-basis-set-coupled-channel-calculations-on-atom-molecule-collisions-in-magnetic-fields-1806.11312"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-fluorescence-quenching-of-red-fluorescent-dyes-with-green-excitation-avoiding-artifacts-in-pie-fret-and-fccs-analysis-1806.11364</loc><lastmod>2018-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-fluorescence-quenching-of-red-fluorescent-dyes-with-green-excitation-avoiding-artifacts-in-pie-fret-and-fccs-analysis-1806.11364"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-fluorescence-quenching-of-red-fluorescent-dyes-with-green-excitation-avoiding-artifacts-in-pie-fret-and-fccs-analysis-1806.11364"/></url>
<url><loc>https://scifaro.com/en/abs/imperfect-diffusion-controlled-reactions-1806.11471</loc><lastmod>2019-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imperfect-diffusion-controlled-reactions-1806.11471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imperfect-diffusion-controlled-reactions-1806.11471"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-modulation-of-external-conditions-can-transform-chemistry-into-logic-gates-1807.00031</loc><lastmod>2018-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-modulation-of-external-conditions-can-transform-chemistry-into-logic-gates-1807.00031"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-modulation-of-external-conditions-can-transform-chemistry-into-logic-gates-1807.00031"/></url>
<url><loc>https://scifaro.com/en/abs/feature-optimization-for-atomistic-machine-learning-yields-a-data-driven-construction-of-the-periodic-table-of-the-elements-1807.00236</loc><lastmod>2021-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/feature-optimization-for-atomistic-machine-learning-yields-a-data-driven-construction-of-the-periodic-table-of-the-elements-1807.00236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/feature-optimization-for-atomistic-machine-learning-yields-a-data-driven-construction-of-the-periodic-table-of-the-elements-1807.00236"/></url>
<url><loc>https://scifaro.com/en/abs/nonequilibrium-dynamics-of-localized-and-delocalized-excitons-in-colloidal-quantum-dot-solids-1807.00245</loc><lastmod>2018-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonequilibrium-dynamics-of-localized-and-delocalized-excitons-in-colloidal-quantum-dot-solids-1807.00245"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonequilibrium-dynamics-of-localized-and-delocalized-excitons-in-colloidal-quantum-dot-solids-1807.00245"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-construction-of-thermodynamic-relations-for-a-solvent-controlled-phase-transition-to-improve-the-bioavailability-of-drugs-a-case-study-of-indomethacin-1807.00250</loc><lastmod>2019-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-construction-of-thermodynamic-relations-for-a-solvent-controlled-phase-transition-to-improve-the-bioavailability-of-drugs-a-case-study-of-indomethacin-1807.00250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-construction-of-thermodynamic-relations-for-a-solvent-controlled-phase-transition-to-improve-the-bioavailability-of-drugs-a-case-study-of-indomethacin-1807.00250"/></url>
<url><loc>https://scifaro.com/en/abs/atom-density-representations-for-machine-learning-1807.00408</loc><lastmod>2025-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atom-density-representations-for-machine-learning-1807.00408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atom-density-representations-for-machine-learning-1807.00408"/></url>
<url><loc>https://scifaro.com/en/abs/towards-quantum-chemical-method-development-for-arbitrary-basis-functions-1807.00704</loc><lastmod>2018-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-quantum-chemical-method-development-for-arbitrary-basis-functions-1807.00704"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-quantum-chemical-method-development-for-arbitrary-basis-functions-1807.00704"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-movie-of-ultrafast-coherent-rotational-dynamics-1807.01034</loc><lastmod>2020-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-movie-of-ultrafast-coherent-rotational-dynamics-1807.01034"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-movie-of-ultrafast-coherent-rotational-dynamics-1807.01034"/></url>
<url><loc>https://scifaro.com/en/abs/many-body-expanded-full-configuration-interaction-i-weakly-correlated-regime-1807.01328</loc><lastmod>2018-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-body-expanded-full-configuration-interaction-i-weakly-correlated-regime-1807.01328"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-body-expanded-full-configuration-interaction-i-weakly-correlated-regime-1807.01328"/></url>
<url><loc>https://scifaro.com/en/abs/conceptual-insights-into-the-interaction-of-the-phase-of-the-electric-field-and-molecular-spectroscopy-to-further-understand-molecular-isomerization-and-solute-solvent-interactions-1807.01368</loc><lastmod>2019-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conceptual-insights-into-the-interaction-of-the-phase-of-the-electric-field-and-molecular-spectroscopy-to-further-understand-molecular-isomerization-and-solute-solvent-interactions-1807.01368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conceptual-insights-into-the-interaction-of-the-phase-of-the-electric-field-and-molecular-spectroscopy-to-further-understand-molecular-isomerization-and-solute-solvent-interactions-1807.01368"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-use-of-the-iast-method-for-gas-separation-studies-in-porous-materials-with-gate-opening-behavior-1807.01487</loc><lastmod>2018-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-use-of-the-iast-method-for-gas-separation-studies-in-porous-materials-with-gate-opening-behavior-1807.01487"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-use-of-the-iast-method-for-gas-separation-studies-in-porous-materials-with-gate-opening-behavior-1807.01487"/></url>
<url><loc>https://scifaro.com/en/abs/probing-aqueous-electrolytes-with-fourier-spectrum-pulse-echo-technique-1807.01516</loc><lastmod>2018-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-aqueous-electrolytes-with-fourier-spectrum-pulse-echo-technique-1807.01516"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-aqueous-electrolytes-with-fourier-spectrum-pulse-echo-technique-1807.01516"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-and-deterministic-propagation-of-mixed-quantum-classical-liouville-dynamics-1807.01789</loc><lastmod>2018-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-and-deterministic-propagation-of-mixed-quantum-classical-liouville-dynamics-1807.01789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-and-deterministic-propagation-of-mixed-quantum-classical-liouville-dynamics-1807.01789"/></url>
<url><loc>https://scifaro.com/en/abs/performance-evaluation-of-the-symmetrical-quasi-classical-dynamics-method-based-on-meyer-miller-mapping-hamiltonian-in-the-treatment-of-site-exciton-models-1807.01818</loc><lastmod>2019-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-evaluation-of-the-symmetrical-quasi-classical-dynamics-method-based-on-meyer-miller-mapping-hamiltonian-in-the-treatment-of-site-exciton-models-1807.01818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-evaluation-of-the-symmetrical-quasi-classical-dynamics-method-based-on-meyer-miller-mapping-hamiltonian-in-the-treatment-of-site-exciton-models-1807.01818"/></url>
<url><loc>https://scifaro.com/en/abs/probing-charge-transfer-dynamics-in-a-single-iron-tetraphenylporphyrin-dyad-adsorbed-on-an-insulating-surface-1807.01876</loc><lastmod>2018-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-charge-transfer-dynamics-in-a-single-iron-tetraphenylporphyrin-dyad-adsorbed-on-an-insulating-surface-1807.01876"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-charge-transfer-dynamics-in-a-single-iron-tetraphenylporphyrin-dyad-adsorbed-on-an-insulating-surface-1807.01876"/></url>
<url><loc>https://scifaro.com/en/abs/a-mountaineering-strategy-to-excited-states-highly-accurate-reference-energies-and-benchmarks-1807.02045</loc><lastmod>2019-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mountaineering-strategy-to-excited-states-highly-accurate-reference-energies-and-benchmarks-1807.02045"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mountaineering-strategy-to-excited-states-highly-accurate-reference-energies-and-benchmarks-1807.02045"/></url>
<url><loc>https://scifaro.com/en/abs/mean-field-matsubara-dynamics-analysis-of-path-integral-curvature-effects-in-rovibrational-spectra-1807.02074</loc><lastmod>2018-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mean-field-matsubara-dynamics-analysis-of-path-integral-curvature-effects-in-rovibrational-spectra-1807.02074"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mean-field-matsubara-dynamics-analysis-of-path-integral-curvature-effects-in-rovibrational-spectra-1807.02074"/></url>
<url><loc>https://scifaro.com/en/abs/the-maximum-interbubble-distance-in-relation-to-the-radius-of-spherical-stable-nanobubble-in-liquid-water-a-molecular-dynamics-study-1807.02275</loc><lastmod>2018-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-maximum-interbubble-distance-in-relation-to-the-radius-of-spherical-stable-nanobubble-in-liquid-water-a-molecular-dynamics-study-1807.02275"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-maximum-interbubble-distance-in-relation-to-the-radius-of-spherical-stable-nanobubble-in-liquid-water-a-molecular-dynamics-study-1807.02275"/></url>
<url><loc>https://scifaro.com/en/abs/gen-parrep-a-first-implementation-of-the-generalized-parallel-replica-dynamics-for-the-long-time-simulation-of-metastable-biochemical-systems-1807.02431</loc><lastmod>2019-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gen-parrep-a-first-implementation-of-the-generalized-parallel-replica-dynamics-for-the-long-time-simulation-of-metastable-biochemical-systems-1807.02431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gen-parrep-a-first-implementation-of-the-generalized-parallel-replica-dynamics-for-the-long-time-simulation-of-metastable-biochemical-systems-1807.02431"/></url>
<url><loc>https://scifaro.com/en/abs/solar-energy-harvesting-with-carbon-nitrides-do-we-understand-the-mechanism-1807.03204</loc><lastmod>2018-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solar-energy-harvesting-with-carbon-nitrides-do-we-understand-the-mechanism-1807.03204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solar-energy-harvesting-with-carbon-nitrides-do-we-understand-the-mechanism-1807.03204"/></url>
<url><loc>https://scifaro.com/en/abs/optimization-of-energy-transport-in-the-fenna-matthews-olson-complex-via-site-varying-pigment-protein-interactions-1807.03459</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimization-of-energy-transport-in-the-fenna-matthews-olson-complex-via-site-varying-pigment-protein-interactions-1807.03459"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimization-of-energy-transport-in-the-fenna-matthews-olson-complex-via-site-varying-pigment-protein-interactions-1807.03459"/></url>
<url><loc>https://scifaro.com/en/abs/large-scale-parallelization-in-stochastic-coupled-cluster-1807.03749</loc><lastmod>2018-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/large-scale-parallelization-in-stochastic-coupled-cluster-1807.03749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/large-scale-parallelization-in-stochastic-coupled-cluster-1807.03749"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-and-thermodynamics-of-ibuprofen-conformational-isomerism-at-the-crystal-solution-interface-1807.03941</loc><lastmod>2018-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-and-thermodynamics-of-ibuprofen-conformational-isomerism-at-the-crystal-solution-interface-1807.03941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-and-thermodynamics-of-ibuprofen-conformational-isomerism-at-the-crystal-solution-interface-1807.03941"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-control-of-the-rotation-axis-of-molecular-superrotors-1807.04016</loc><lastmod>2018-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-control-of-the-rotation-axis-of-molecular-superrotors-1807.04016"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-control-of-the-rotation-axis-of-molecular-superrotors-1807.04016"/></url>
<url><loc>https://scifaro.com/en/abs/inconsistencies-in-ab-initio-evaluations-of-non-additive-contributions-of-dna-stacking-energies-1807.04168</loc><lastmod>2019-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inconsistencies-in-ab-initio-evaluations-of-non-additive-contributions-of-dna-stacking-energies-1807.04168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inconsistencies-in-ab-initio-evaluations-of-non-additive-contributions-of-dna-stacking-energies-1807.04168"/></url>
<url><loc>https://scifaro.com/en/abs/the-fundamentals-of-quantum-machine-learning-1807.04259</loc><lastmod>2018-07-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-fundamentals-of-quantum-machine-learning-1807.04259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-fundamentals-of-quantum-machine-learning-1807.04259"/></url>
<url><loc>https://scifaro.com/en/abs/signatures-of-exciton-delocalization-and-exciton-exciton-annihilation-in-fluorescence-detected-two-dimensional-coherent-spectroscopy-1807.04846</loc><lastmod>2018-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/signatures-of-exciton-delocalization-and-exciton-exciton-annihilation-in-fluorescence-detected-two-dimensional-coherent-spectroscopy-1807.04846"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/signatures-of-exciton-delocalization-and-exciton-exciton-annihilation-in-fluorescence-detected-two-dimensional-coherent-spectroscopy-1807.04846"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-density-functional-calculations-using-localized-spherical-wave-basis-sets-1807.04926</loc><lastmod>2018-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-density-functional-calculations-using-localized-spherical-wave-basis-sets-1807.04926"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-density-functional-calculations-using-localized-spherical-wave-basis-sets-1807.04926"/></url>
<url><loc>https://scifaro.com/en/abs/modelling-electron-transfers-using-quasidiabatic-hartree-fock-states-1807.04983</loc><lastmod>2018-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modelling-electron-transfers-using-quasidiabatic-hartree-fock-states-1807.04983"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modelling-electron-transfers-using-quasidiabatic-hartree-fock-states-1807.04983"/></url>
<url><loc>https://scifaro.com/en/abs/full-coupled-cluster-reduction-for-accurate-description-of-strong-electron-correlation-1807.05818</loc><lastmod>2018-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-coupled-cluster-reduction-for-accurate-description-of-strong-electron-correlation-1807.05818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-coupled-cluster-reduction-for-accurate-description-of-strong-electron-correlation-1807.05818"/></url>
<url><loc>https://scifaro.com/en/abs/do-ccsd-and-approximate-ccsd-f12-variants-converge-to-the-same-basis-set-limits-the-case-of-atomization-energies-1807.06058</loc><lastmod>2018-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/do-ccsd-and-approximate-ccsd-f12-variants-converge-to-the-same-basis-set-limits-the-case-of-atomization-energies-1807.06058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/do-ccsd-and-approximate-ccsd-f12-variants-converge-to-the-same-basis-set-limits-the-case-of-atomization-energies-1807.06058"/></url>
<url><loc>https://scifaro.com/en/abs/regularized-orbital-optimized-second-order-m-o-ller-plesset-perturbation-theory-a-reliable-fifth-order-scaling-electron-correlation-model-with-orbital-energy-dependent-regularizers-1807.06185</loc><lastmod>2018-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/regularized-orbital-optimized-second-order-m-o-ller-plesset-perturbation-theory-a-reliable-fifth-order-scaling-electron-correlation-model-with-orbital-energy-dependent-regularizers-1807.06185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/regularized-orbital-optimized-second-order-m-o-ller-plesset-perturbation-theory-a-reliable-fifth-order-scaling-electron-correlation-model-with-orbital-energy-dependent-regularizers-1807.06185"/></url>
<url><loc>https://scifaro.com/en/abs/strongly-correlated-systems-and-density-matrix-renormalization-group-in-quantum-chemistry-1807.06289</loc><lastmod>2019-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strongly-correlated-systems-and-density-matrix-renormalization-group-in-quantum-chemistry-1807.06289"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strongly-correlated-systems-and-density-matrix-renormalization-group-in-quantum-chemistry-1807.06289"/></url>
<url><loc>https://scifaro.com/en/abs/dielectric-properties-of-condensed-systems-composed-of-fragments-1807.06326</loc><lastmod>2018-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dielectric-properties-of-condensed-systems-composed-of-fragments-1807.06326"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dielectric-properties-of-condensed-systems-composed-of-fragments-1807.06326"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-low-magnetic-field-effect-in-radical-pair-reactions-1807.06541</loc><lastmod>2018-07-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-low-magnetic-field-effect-in-radical-pair-reactions-1807.06541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-low-magnetic-field-effect-in-radical-pair-reactions-1807.06541"/></url>
<url><loc>https://scifaro.com/en/abs/cross-sections-for-electron-collision-with-pyridine-c-5-h-5-n-molecule-1807.06674</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cross-sections-for-electron-collision-with-pyridine-c-5-h-5-n-molecule-1807.06674"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cross-sections-for-electron-collision-with-pyridine-c-5-h-5-n-molecule-1807.06674"/></url>
<url><loc>https://scifaro.com/en/abs/ultrasensitive-and-fast-single-wavelength-plasmonic-hydrogen-sensing-with-anisotropic-nanostructured-pd-films-1807.07296</loc><lastmod>2018-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrasensitive-and-fast-single-wavelength-plasmonic-hydrogen-sensing-with-anisotropic-nanostructured-pd-films-1807.07296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrasensitive-and-fast-single-wavelength-plasmonic-hydrogen-sensing-with-anisotropic-nanostructured-pd-films-1807.07296"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-damping-effects-on-electronic-energy-relaxation-in-molecular-aggregates-1807.07314</loc><lastmod>2018-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-damping-effects-on-electronic-energy-relaxation-in-molecular-aggregates-1807.07314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-damping-effects-on-electronic-energy-relaxation-in-molecular-aggregates-1807.07314"/></url>
<url><loc>https://scifaro.com/en/abs/reversible-interacting-particle-reaction-dynamics-1807.07355</loc><lastmod>2018-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reversible-interacting-particle-reaction-dynamics-1807.07355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reversible-interacting-particle-reaction-dynamics-1807.07355"/></url>
<url><loc>https://scifaro.com/en/abs/long-lasting-field-free-alignment-of-large-molecules-inside-helium-nanodroplets-1807.07376</loc><lastmod>2019-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-lasting-field-free-alignment-of-large-molecules-inside-helium-nanodroplets-1807.07376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-lasting-field-free-alignment-of-large-molecules-inside-helium-nanodroplets-1807.07376"/></url>
<url><loc>https://scifaro.com/en/abs/treatment-of-herzberg-teller-and-non-condon-effects-in-optical-spectra-with-hierarchical-equations-of-motion-1807.07475</loc><lastmod>2018-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/treatment-of-herzberg-teller-and-non-condon-effects-in-optical-spectra-with-hierarchical-equations-of-motion-1807.07475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/treatment-of-herzberg-teller-and-non-condon-effects-in-optical-spectra-with-hierarchical-equations-of-motion-1807.07475"/></url>
<url><loc>https://scifaro.com/en/abs/unphysical-discontinuities-in-gw-methods-1807.07480</loc><lastmod>2019-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unphysical-discontinuities-in-gw-methods-1807.07480"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unphysical-discontinuities-in-gw-methods-1807.07480"/></url>
<url><loc>https://scifaro.com/en/abs/power-law-decay-in-the-nonadiabatic-photodissociation-dynamics-of-alkali-halides-due-to-quantum-wavepacket-interference-1807.07935</loc><lastmod>2018-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/power-law-decay-in-the-nonadiabatic-photodissociation-dynamics-of-alkali-halides-due-to-quantum-wavepacket-interference-1807.07935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/power-law-decay-in-the-nonadiabatic-photodissociation-dynamics-of-alkali-halides-due-to-quantum-wavepacket-interference-1807.07935"/></url>
<url><loc>https://scifaro.com/en/abs/nature-of-intrinsic-uncertainties-in-equilibrium-molecular-dynamics-estimation-of-shear-viscosity-for-simple-and-complex-fluids-1807.08063</loc><lastmod>2018-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nature-of-intrinsic-uncertainties-in-equilibrium-molecular-dynamics-estimation-of-shear-viscosity-for-simple-and-complex-fluids-1807.08063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nature-of-intrinsic-uncertainties-in-equilibrium-molecular-dynamics-estimation-of-shear-viscosity-for-simple-and-complex-fluids-1807.08063"/></url>
<url><loc>https://scifaro.com/en/abs/a-review-of-experimental-solubilities-and-a-general-correlation-between-the-temperature-dependent-solubility-and-solute-and-solvent-molar-masses-for-binary-n-alkane-mixtures-1807.08514</loc><lastmod>2022-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-review-of-experimental-solubilities-and-a-general-correlation-between-the-temperature-dependent-solubility-and-solute-and-solvent-molar-masses-for-binary-n-alkane-mixtures-1807.08514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-review-of-experimental-solubilities-and-a-general-correlation-between-the-temperature-dependent-solubility-and-solute-and-solvent-molar-masses-for-binary-n-alkane-mixtures-1807.08514"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-laser-induced-coulomb-explosion-imaging-of-aligned-ocs-oligmers-inside-helium-nanodroplets-1807.08584</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-laser-induced-coulomb-explosion-imaging-of-aligned-ocs-oligmers-inside-helium-nanodroplets-1807.08584"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-laser-induced-coulomb-explosion-imaging-of-aligned-ocs-oligmers-inside-helium-nanodroplets-1807.08584"/></url>
<url><loc>https://scifaro.com/en/abs/ultrahigh-density-spin-polarized-h-and-d-observed-via-magnetization-quantum-beats-1807.08796</loc><lastmod>2018-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrahigh-density-spin-polarized-h-and-d-observed-via-magnetization-quantum-beats-1807.08796"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrahigh-density-spin-polarized-h-and-d-observed-via-magnetization-quantum-beats-1807.08796"/></url>
<url><loc>https://scifaro.com/en/abs/operators-in-machine-learning-response-properties-in-chemical-space-1807.08811</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/operators-in-machine-learning-response-properties-in-chemical-space-1807.08811"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/operators-in-machine-learning-response-properties-in-chemical-space-1807.08811"/></url>
<url><loc>https://scifaro.com/en/abs/incremental-embedding-a-density-matrix-embedding-scheme-for-molecules-1807.08863</loc><lastmod>2022-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/incremental-embedding-a-density-matrix-embedding-scheme-for-molecules-1807.08863"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/incremental-embedding-a-density-matrix-embedding-scheme-for-molecules-1807.08863"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-s1-s0-absorption-energies-of-the-anionic-forms-of-oxyluciferin-by-variational-monte-carlo-and-many-body-green-s-function-theory-1807.08992</loc><lastmod>2018-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-s1-s0-absorption-energies-of-the-anionic-forms-of-oxyluciferin-by-variational-monte-carlo-and-many-body-green-s-function-theory-1807.08992"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-s1-s0-absorption-energies-of-the-anionic-forms-of-oxyluciferin-by-variational-monte-carlo-and-many-body-green-s-function-theory-1807.08992"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-signature-of-exciton-condensation-1807.09191</loc><lastmod>2018-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-signature-of-exciton-condensation-1807.09191"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-signature-of-exciton-condensation-1807.09191"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-and-kinetics-of-nucleation-in-binary-solutions-1807.09293</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-and-kinetics-of-nucleation-in-binary-solutions-1807.09293"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-and-kinetics-of-nucleation-in-binary-solutions-1807.09293"/></url>
<url><loc>https://scifaro.com/en/abs/static-non-linear-schr-o-dinger-equations-for-the-achiral-chiral-transitions-of-polar-chiral-molecules-1807.09425</loc><lastmod>2019-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/static-non-linear-schr-o-dinger-equations-for-the-achiral-chiral-transitions-of-polar-chiral-molecules-1807.09425"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/static-non-linear-schr-o-dinger-equations-for-the-achiral-chiral-transitions-of-polar-chiral-molecules-1807.09425"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-model-for-scalar-relativistic-corrections-to-molecular-total-atomization-energies-1807.09513</loc><lastmod>2018-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-model-for-scalar-relativistic-corrections-to-molecular-total-atomization-energies-1807.09513"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-model-for-scalar-relativistic-corrections-to-molecular-total-atomization-energies-1807.09513"/></url>
<url><loc>https://scifaro.com/en/abs/expediting-hydrogen-evolution-through-topological-surface-states-on-bi2te3-1807.09957</loc><lastmod>2019-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/expediting-hydrogen-evolution-through-topological-surface-states-on-bi2te3-1807.09957"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/expediting-hydrogen-evolution-through-topological-surface-states-on-bi2te3-1807.09957"/></url>
<url><loc>https://scifaro.com/en/abs/a-time-dependent-formulation-of-coupled-cluster-theory-for-many-fermion-systems-at-finite-temperature-1807.09961</loc><lastmod>2019-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-time-dependent-formulation-of-coupled-cluster-theory-for-many-fermion-systems-at-finite-temperature-1807.09961"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-time-dependent-formulation-of-coupled-cluster-theory-for-many-fermion-systems-at-finite-temperature-1807.09961"/></url>
<url><loc>https://scifaro.com/en/abs/bond-type-restricted-radial-distribution-functions-for-accurate-machine-learning-prediction-of-atomization-energies-1807.10301</loc><lastmod>2018-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bond-type-restricted-radial-distribution-functions-for-accurate-machine-learning-prediction-of-atomization-energies-1807.10301"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bond-type-restricted-radial-distribution-functions-for-accurate-machine-learning-prediction-of-atomization-energies-1807.10301"/></url>
<url><loc>https://scifaro.com/en/abs/combining-metadynamics-and-integrated-tempering-sampling-1807.10486</loc><lastmod>2018-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-metadynamics-and-integrated-tempering-sampling-1807.10486"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-metadynamics-and-integrated-tempering-sampling-1807.10486"/></url>
<url><loc>https://scifaro.com/en/abs/faster-and-lower-scaling-orbital-space-variational-monte-carlo-1807.10633</loc><lastmod>2018-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/faster-and-lower-scaling-orbital-space-variational-monte-carlo-1807.10633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/faster-and-lower-scaling-orbital-space-variational-monte-carlo-1807.10633"/></url>
<url><loc>https://scifaro.com/en/abs/formation-of-anionic-c-n-bearing-chains-in-the-interstellar-medium-via-reactions-of-h-with-hc-x-n-for-odd-valued-x-from-1-to-7-1807.11028</loc><lastmod>2018-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-of-anionic-c-n-bearing-chains-in-the-interstellar-medium-via-reactions-of-h-with-hc-x-n-for-odd-valued-x-from-1-to-7-1807.11028"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-of-anionic-c-n-bearing-chains-in-the-interstellar-medium-via-reactions-of-h-with-hc-x-n-for-odd-valued-x-from-1-to-7-1807.11028"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-a-dynamical-path-for-c-2-h-and-nco-formation-in-dark-molecular-clouds-1807.11032</loc><lastmod>2018-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-a-dynamical-path-for-c-2-h-and-nco-formation-in-dark-molecular-clouds-1807.11032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-a-dynamical-path-for-c-2-h-and-nco-formation-in-dark-molecular-clouds-1807.11032"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-phase-diagram-of-pbse-crystals-calculated-with-the-random-phase-approximation-1807.11415</loc><lastmod>2018-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-phase-diagram-of-pbse-crystals-calculated-with-the-random-phase-approximation-1807.11415"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-phase-diagram-of-pbse-crystals-calculated-with-the-random-phase-approximation-1807.11415"/></url>
<url><loc>https://scifaro.com/en/abs/explicitly-correlated-gaussian-functions-with-shifted-center-and-projection-techniques-in-pre-born-oppenheimer-calculations-1807.11727</loc><lastmod>2019-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explicitly-correlated-gaussian-functions-with-shifted-center-and-projection-techniques-in-pre-born-oppenheimer-calculations-1807.11727"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explicitly-correlated-gaussian-functions-with-shifted-center-and-projection-techniques-in-pre-born-oppenheimer-calculations-1807.11727"/></url>
<url><loc>https://scifaro.com/en/abs/near-and-mid-ir-gas-phase-absorption-spectra-of-h2-c60-he-1807.11780</loc><lastmod>2018-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-and-mid-ir-gas-phase-absorption-spectra-of-h2-c60-he-1807.11780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-and-mid-ir-gas-phase-absorption-spectra-of-h2-c60-he-1807.11780"/></url>
<url><loc>https://scifaro.com/en/abs/a-generalized-mathematical-framework-for-thermal-oxidation-kinetics-1808.00916</loc><lastmod>2018-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-generalized-mathematical-framework-for-thermal-oxidation-kinetics-1808.00916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-generalized-mathematical-framework-for-thermal-oxidation-kinetics-1808.00916"/></url>
<url><loc>https://scifaro.com/en/abs/phase-field-modeling-of-two-dimensional-solute-precipitation-dissolution-solid-fingers-and-diffusion-limited-precipitation-1808.00919</loc><lastmod>2018-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-field-modeling-of-two-dimensional-solute-precipitation-dissolution-solid-fingers-and-diffusion-limited-precipitation-1808.00919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-field-modeling-of-two-dimensional-solute-precipitation-dissolution-solid-fingers-and-diffusion-limited-precipitation-1808.00919"/></url>
<url><loc>https://scifaro.com/en/abs/a-generalized-kinetic-model-for-heterogeneous-gas-solid-reactions-1808.01029</loc><lastmod>2018-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-generalized-kinetic-model-for-heterogeneous-gas-solid-reactions-1808.01029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-generalized-kinetic-model-for-heterogeneous-gas-solid-reactions-1808.01029"/></url>
<url><loc>https://scifaro.com/en/abs/matrix-product-state-formulation-of-the-multiconfiguration-time-dependent-hartree-theory-1808.01110</loc><lastmod>2018-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/matrix-product-state-formulation-of-the-multiconfiguration-time-dependent-hartree-theory-1808.01110"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/matrix-product-state-formulation-of-the-multiconfiguration-time-dependent-hartree-theory-1808.01110"/></url>
<url><loc>https://scifaro.com/en/abs/analyzing-laser-induced-alignment-of-weakly-bound-molecular-aggregates-1808.01206</loc><lastmod>2018-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analyzing-laser-induced-alignment-of-weakly-bound-molecular-aggregates-1808.01206"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analyzing-laser-induced-alignment-of-weakly-bound-molecular-aggregates-1808.01206"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-enviromental-dynamic-polarizability-in-static-excited-state-properties-of-embedded-molecular-systems-application-to-disordered-fluorographene-systems-1808.02399</loc><lastmod>2018-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-enviromental-dynamic-polarizability-in-static-excited-state-properties-of-embedded-molecular-systems-application-to-disordered-fluorographene-systems-1808.02399"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-enviromental-dynamic-polarizability-in-static-excited-state-properties-of-embedded-molecular-systems-application-to-disordered-fluorographene-systems-1808.02399"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-dependencies-of-vibronically-mediated-excitation-transfer-in-rylene-dyads-1808.02467</loc><lastmod>2023-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-dependencies-of-vibronically-mediated-excitation-transfer-in-rylene-dyads-1808.02467"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-dependencies-of-vibronically-mediated-excitation-transfer-in-rylene-dyads-1808.02467"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-generalized-debye-h-uckel-equation-from-poisson-fermi-theory-1808.02757</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-generalized-debye-h-uckel-equation-from-poisson-fermi-theory-1808.02757"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-generalized-debye-h-uckel-equation-from-poisson-fermi-theory-1808.02757"/></url>
<url><loc>https://scifaro.com/en/abs/delocalization-errors-in-density-functional-theory-are-essentially-quadratic-in-fractional-occupation-number-1808.02770</loc><lastmod>2018-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/delocalization-errors-in-density-functional-theory-are-essentially-quadratic-in-fractional-occupation-number-1808.02770"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/delocalization-errors-in-density-functional-theory-are-essentially-quadratic-in-fractional-occupation-number-1808.02770"/></url>
<url><loc>https://scifaro.com/en/abs/boosting-quantum-machine-learning-models-with-multi-level-combination-technique-pople-diagrams-revisited-1808.02799</loc><lastmod>2018-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/boosting-quantum-machine-learning-models-with-multi-level-combination-technique-pople-diagrams-revisited-1808.02799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/boosting-quantum-machine-learning-models-with-multi-level-combination-technique-pople-diagrams-revisited-1808.02799"/></url>
<url><loc>https://scifaro.com/en/abs/sparse-low-rank-approximation-of-potential-energy-surfaces-with-applications-in-estimation-of-anharmonic-zero-point-energies-and-frequencies-1808.02922</loc><lastmod>2018-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sparse-low-rank-approximation-of-potential-energy-surfaces-with-applications-in-estimation-of-anharmonic-zero-point-energies-and-frequencies-1808.02922"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sparse-low-rank-approximation-of-potential-energy-surfaces-with-applications-in-estimation-of-anharmonic-zero-point-energies-and-frequencies-1808.02922"/></url>
<url><loc>https://scifaro.com/en/abs/constructing-a-non-additive-non-interacting-kinetic-energy-functional-approximation-for-covalent-bonds-from-exact-conditions-1808.02951</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/constructing-a-non-additive-non-interacting-kinetic-energy-functional-approximation-for-covalent-bonds-from-exact-conditions-1808.02951"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/constructing-a-non-additive-non-interacting-kinetic-energy-functional-approximation-for-covalent-bonds-from-exact-conditions-1808.02951"/></url>
<url><loc>https://scifaro.com/en/abs/spin-selective-electron-transfer-reactions-of-radical-pairs-beyond-the-haberkorn-master-equation-1808.03211</loc><lastmod>2018-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-selective-electron-transfer-reactions-of-radical-pairs-beyond-the-haberkorn-master-equation-1808.03211"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-selective-electron-transfer-reactions-of-radical-pairs-beyond-the-haberkorn-master-equation-1808.03211"/></url>
<url><loc>https://scifaro.com/en/abs/proton-transfer-induced-fluorescence-in-self-assembled-short-peptides-1808.03262</loc><lastmod>2019-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proton-transfer-induced-fluorescence-in-self-assembled-short-peptides-1808.03262"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proton-transfer-induced-fluorescence-in-self-assembled-short-peptides-1808.03262"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-the-collapse-transition-of-weakly-charged-polymers-by-ion-specific-screening-and-adsorption-1808.03514</loc><lastmod>2018-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-the-collapse-transition-of-weakly-charged-polymers-by-ion-specific-screening-and-adsorption-1808.03514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-the-collapse-transition-of-weakly-charged-polymers-by-ion-specific-screening-and-adsorption-1808.03514"/></url>
<url><loc>https://scifaro.com/en/abs/i-pi-2-0-a-universal-force-engine-for-advanced-molecular-simulations-1808.03824</loc><lastmod>2025-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/i-pi-2-0-a-universal-force-engine-for-advanced-molecular-simulations-1808.03824"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/i-pi-2-0-a-universal-force-engine-for-advanced-molecular-simulations-1808.03824"/></url>
<url><loc>https://scifaro.com/en/abs/the-quantum-theory-of-atoms-in-molecules-in-condensed-charge-density-space-1808.04467</loc><lastmod>2019-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-quantum-theory-of-atoms-in-molecules-in-condensed-charge-density-space-1808.04467"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-quantum-theory-of-atoms-in-molecules-in-condensed-charge-density-space-1808.04467"/></url>
<url><loc>https://scifaro.com/en/abs/a-density-functional-tight-binding-layer-for-deep-learning-of-chemical-hamiltonians-1808.04526</loc><lastmod>2018-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-density-functional-tight-binding-layer-for-deep-learning-of-chemical-hamiltonians-1808.04526"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-density-functional-tight-binding-layer-for-deep-learning-of-chemical-hamiltonians-1808.04526"/></url>
<url><loc>https://scifaro.com/en/abs/time-in-quantum-mechanics-a-fresh-look-at-the-continuity-equation-1808.04643</loc><lastmod>2018-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-in-quantum-mechanics-a-fresh-look-at-the-continuity-equation-1808.04643"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-in-quantum-mechanics-a-fresh-look-at-the-continuity-equation-1808.04643"/></url>
<url><loc>https://scifaro.com/en/abs/algorithms-and-image-formation-in-orbital-tomography-1808.04690</loc><lastmod>2018-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/algorithms-and-image-formation-in-orbital-tomography-1808.04690"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/algorithms-and-image-formation-in-orbital-tomography-1808.04690"/></url>
<url><loc>https://scifaro.com/en/abs/the-rotation-vibration-spectrum-of-methyl-fluoride-from-first-principles-1808.04921</loc><lastmod>2018-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-rotation-vibration-spectrum-of-methyl-fluoride-from-first-principles-1808.04921"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-rotation-vibration-spectrum-of-methyl-fluoride-from-first-principles-1808.04921"/></url>
<url><loc>https://scifaro.com/en/abs/density-driven-correlations-in-many-electron-ensembles-theory-and-application-for-excited-states-1808.04994</loc><lastmod>2019-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-driven-correlations-in-many-electron-ensembles-theory-and-application-for-excited-states-1808.04994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-driven-correlations-in-many-electron-ensembles-theory-and-application-for-excited-states-1808.04994"/></url>
<url><loc>https://scifaro.com/en/abs/exciting-determinants-in-quantum-monte-carlo-loading-the-dice-with-fast-low-memory-weights-1808.05093</loc><lastmod>2020-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exciting-determinants-in-quantum-monte-carlo-loading-the-dice-with-fast-low-memory-weights-1808.05093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exciting-determinants-in-quantum-monte-carlo-loading-the-dice-with-fast-low-memory-weights-1808.05093"/></url>
<url><loc>https://scifaro.com/en/abs/an-improved-ehrenfest-approach-to-model-correlated-electron-nuclear-dynamics-1808.05263</loc><lastmod>2018-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-improved-ehrenfest-approach-to-model-correlated-electron-nuclear-dynamics-1808.05263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-improved-ehrenfest-approach-to-model-correlated-electron-nuclear-dynamics-1808.05263"/></url>
<url><loc>https://scifaro.com/en/abs/spontaneous-and-directed-symmetry-breaking-in-the-formation-of-chiral-nanocrystals-1808.05406</loc><lastmod>2022-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spontaneous-and-directed-symmetry-breaking-in-the-formation-of-chiral-nanocrystals-1808.05406"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spontaneous-and-directed-symmetry-breaking-in-the-formation-of-chiral-nanocrystals-1808.05406"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-textit-ab-initio-vibrational-energies-of-methyl-chloride-1808.05420</loc><lastmod>2018-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-textit-ab-initio-vibrational-energies-of-methyl-chloride-1808.05420"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-textit-ab-initio-vibrational-energies-of-methyl-chloride-1808.05420"/></url>
<url><loc>https://scifaro.com/en/abs/a-global-potential-energy-surface-and-dipole-moment-surface-for-silane-1808.05423</loc><lastmod>2018-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-global-potential-energy-surface-and-dipole-moment-surface-for-silane-1808.05423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-global-potential-energy-surface-and-dipole-moment-surface-for-silane-1808.05423"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-sensitivity-to-a-possible-variation-of-the-proton-to-electron-mass-ratio-in-ammonia-1808.05425</loc><lastmod>2018-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-sensitivity-to-a-possible-variation-of-the-proton-to-electron-mass-ratio-in-ammonia-1808.05425"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-sensitivity-to-a-possible-variation-of-the-proton-to-electron-mass-ratio-in-ammonia-1808.05425"/></url>
<url><loc>https://scifaro.com/en/abs/a-global-textit-ab-initio-dipole-moment-surface-for-methyl-chloride-1808.05431</loc><lastmod>2018-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-global-textit-ab-initio-dipole-moment-surface-for-methyl-chloride-1808.05431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-global-textit-ab-initio-dipole-moment-surface-for-methyl-chloride-1808.05431"/></url>
<url><loc>https://scifaro.com/en/abs/atomic-basis-functions-for-molecular-electronic-structure-calculations-1808.05454</loc><lastmod>2019-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomic-basis-functions-for-molecular-electronic-structure-calculations-1808.05454"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomic-basis-functions-for-molecular-electronic-structure-calculations-1808.05454"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-potential-energy-curve-for-the-ground-state-of-beryllium-dimer-1808.05683</loc><lastmod>2019-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-potential-energy-curve-for-the-ground-state-of-beryllium-dimer-1808.05683"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-potential-energy-curve-for-the-ground-state-of-beryllium-dimer-1808.05683"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-singular-value-decomposition-of-the-coupled-cluster-triple-excitation-amplitudes-1808.05684</loc><lastmod>2019-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-singular-value-decomposition-of-the-coupled-cluster-triple-excitation-amplitudes-1808.05684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-singular-value-decomposition-of-the-coupled-cluster-triple-excitation-amplitudes-1808.05684"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-configuration-interaction-1808.05787</loc><lastmod>2018-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-configuration-interaction-1808.05787"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-configuration-interaction-1808.05787"/></url>
<url><loc>https://scifaro.com/en/abs/structure-based-sampling-and-self-correcting-machine-learning-for-accurate-calculations-of-potential-energy-surfaces-and-vibrational-levels-1808.05806</loc><lastmod>2018-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-based-sampling-and-self-correcting-machine-learning-for-accurate-calculations-of-potential-energy-surfaces-and-vibrational-levels-1808.05806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-based-sampling-and-self-correcting-machine-learning-for-accurate-calculations-of-potential-energy-surfaces-and-vibrational-levels-1808.05806"/></url>
<url><loc>https://scifaro.com/en/abs/controlling-the-interfacial-and-bulk-concentrations-of-spontaneously-charged-colloids-in-non-polar-media-1808.05873</loc><lastmod>2019-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlling-the-interfacial-and-bulk-concentrations-of-spontaneously-charged-colloids-in-non-polar-media-1808.05873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlling-the-interfacial-and-bulk-concentrations-of-spontaneously-charged-colloids-in-non-polar-media-1808.05873"/></url>
<url><loc>https://scifaro.com/en/abs/the-dynamic-electron-correlation-energy-in-the-nof-mp2-method-from-the-orbital-invariant-perturbation-theory-1808.06070</loc><lastmod>2018-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-dynamic-electron-correlation-energy-in-the-nof-mp2-method-from-the-orbital-invariant-perturbation-theory-1808.06070"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-dynamic-electron-correlation-energy-in-the-nof-mp2-method-from-the-orbital-invariant-perturbation-theory-1808.06070"/></url>
<url><loc>https://scifaro.com/en/abs/spin-glass-charge-ordering-in-ionic-liquids-1808.06156</loc><lastmod>2019-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-glass-charge-ordering-in-ionic-liquids-1808.06156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-glass-charge-ordering-in-ionic-liquids-1808.06156"/></url>
<url><loc>https://scifaro.com/en/abs/size-dependent-phase-morphologies-in-lifepo4-battery-particles-1808.06164</loc><lastmod>2018-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-dependent-phase-morphologies-in-lifepo4-battery-particles-1808.06164"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-dependent-phase-morphologies-in-lifepo4-battery-particles-1808.06164"/></url>
<url><loc>https://scifaro.com/en/abs/density-matrix-renormalization-group-pair-density-functional-theory-dmrg-pdft-singlet-triplet-gaps-in-polyacenes-and-polyacetylenes-1808.06273</loc><lastmod>2018-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-matrix-renormalization-group-pair-density-functional-theory-dmrg-pdft-singlet-triplet-gaps-in-polyacenes-and-polyacetylenes-1808.06273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-matrix-renormalization-group-pair-density-functional-theory-dmrg-pdft-singlet-triplet-gaps-in-polyacenes-and-polyacetylenes-1808.06273"/></url>
<url><loc>https://scifaro.com/en/abs/excimer-laser-cleaning-of-black-sulphur-encrustation-from-silver-surface-1808.06591</loc><lastmod>2019-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excimer-laser-cleaning-of-black-sulphur-encrustation-from-silver-surface-1808.06591"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excimer-laser-cleaning-of-black-sulphur-encrustation-from-silver-surface-1808.06591"/></url>
<url><loc>https://scifaro.com/en/abs/double-excitation-manifold-s-effect-on-exciton-transfer-dynamics-and-the-efficiency-of-coherent-light-harvesting-1808.06677</loc><lastmod>2022-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-excitation-manifold-s-effect-on-exciton-transfer-dynamics-and-the-efficiency-of-coherent-light-harvesting-1808.06677"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-excitation-manifold-s-effect-on-exciton-transfer-dynamics-and-the-efficiency-of-coherent-light-harvesting-1808.06677"/></url>
<url><loc>https://scifaro.com/en/abs/open-shell-coupled-cluster-valence-bond-theory-augmented-with-an-independent-amplitude-approximation-for-three-pair-correlations-application-to-a-model-oxygen-evolving-complex-and-single-molecular-magnet-1808.06743</loc><lastmod>2019-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/open-shell-coupled-cluster-valence-bond-theory-augmented-with-an-independent-amplitude-approximation-for-three-pair-correlations-application-to-a-model-oxygen-evolving-complex-and-single-molecular-magnet-1808.06743"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/open-shell-coupled-cluster-valence-bond-theory-augmented-with-an-independent-amplitude-approximation-for-three-pair-correlations-application-to-a-model-oxygen-evolving-complex-and-single-molecular-magnet-1808.06743"/></url>
<url><loc>https://scifaro.com/en/abs/cu-zno-deposited-on-porous-ceramic-substrates-by-a-simple-thermal-method-for-photocatalytic-application-1808.06786</loc><lastmod>2018-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cu-zno-deposited-on-porous-ceramic-substrates-by-a-simple-thermal-method-for-photocatalytic-application-1808.06786"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cu-zno-deposited-on-porous-ceramic-substrates-by-a-simple-thermal-method-for-photocatalytic-application-1808.06786"/></url>
<url><loc>https://scifaro.com/en/abs/solvation-effects-alter-the-photochemistry-of-2-thiocytosine-1808.06824</loc><lastmod>2018-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvation-effects-alter-the-photochemistry-of-2-thiocytosine-1808.06824"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvation-effects-alter-the-photochemistry-of-2-thiocytosine-1808.06824"/></url>
<url><loc>https://scifaro.com/en/abs/towards-attochemistry-control-of-nuclear-motion-through-conical-intersections-and-electronic-coherences-1808.06872</loc><lastmod>2018-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-attochemistry-control-of-nuclear-motion-through-conical-intersections-and-electronic-coherences-1808.06872"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-attochemistry-control-of-nuclear-motion-through-conical-intersections-and-electronic-coherences-1808.06872"/></url>
<url><loc>https://scifaro.com/en/abs/impulsive-laser-induced-alignment-of-ocs-molecules-at-fermi-1808.07281</loc><lastmod>2018-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impulsive-laser-induced-alignment-of-ocs-molecules-at-fermi-1808.07281"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impulsive-laser-induced-alignment-of-ocs-molecules-at-fermi-1808.07281"/></url>
<url><loc>https://scifaro.com/en/abs/binding-sites-for-luminescent-amyloid-biomarkers-from-non-biased-molecular-dynamics-simulations-1808.07552</loc><lastmod>2018-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binding-sites-for-luminescent-amyloid-biomarkers-from-non-biased-molecular-dynamics-simulations-1808.07552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binding-sites-for-luminescent-amyloid-biomarkers-from-non-biased-molecular-dynamics-simulations-1808.07552"/></url>
<url><loc>https://scifaro.com/en/abs/binary-contraction-method-for-the-construction-of-time-dependent-dividing-surfaces-in-driven-chemical-reactions-1808.07614</loc><lastmod>2018-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binary-contraction-method-for-the-construction-of-time-dependent-dividing-surfaces-in-driven-chemical-reactions-1808.07614"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binary-contraction-method-for-the-construction-of-time-dependent-dividing-surfaces-in-driven-chemical-reactions-1808.07614"/></url>
<url><loc>https://scifaro.com/en/abs/vacuum-ultraviolet-photoionization-study-on-the-decomposition-of-jp-10-exo-tetrahydrodicyclopentadiene-in-a-high-temperature-chemical-reactor-product-identification-and-branching-ratios-1808.07681</loc><lastmod>2018-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vacuum-ultraviolet-photoionization-study-on-the-decomposition-of-jp-10-exo-tetrahydrodicyclopentadiene-in-a-high-temperature-chemical-reactor-product-identification-and-branching-ratios-1808.07681"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vacuum-ultraviolet-photoionization-study-on-the-decomposition-of-jp-10-exo-tetrahydrodicyclopentadiene-in-a-high-temperature-chemical-reactor-product-identification-and-branching-ratios-1808.07681"/></url>
<url><loc>https://scifaro.com/en/abs/projected-coupled-cluster-theory-optimization-of-cluster-amplitudes-in-the-presence-of-symmetry-projection-1808.07972</loc><lastmod>2020-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/projected-coupled-cluster-theory-optimization-of-cluster-amplitudes-in-the-presence-of-symmetry-projection-1808.07972"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/projected-coupled-cluster-theory-optimization-of-cluster-amplitudes-in-the-presence-of-symmetry-projection-1808.07972"/></url>
<url><loc>https://scifaro.com/en/abs/finding-multiple-reaction-pathways-of-ligand-unbinding-1808.08089</loc><lastmod>2019-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finding-multiple-reaction-pathways-of-ligand-unbinding-1808.08089"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finding-multiple-reaction-pathways-of-ligand-unbinding-1808.08089"/></url>
<url><loc>https://scifaro.com/en/abs/equation-of-motion-coupled-cluster-theory-based-on-the-4-component-dirac-coulomb-gaunt-hamiltonian-energies-for-single-electron-detachment-attachment-and-electronically-excited-states-1808.08205</loc><lastmod>2018-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equation-of-motion-coupled-cluster-theory-based-on-the-4-component-dirac-coulomb-gaunt-hamiltonian-energies-for-single-electron-detachment-attachment-and-electronically-excited-states-1808.08205"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equation-of-motion-coupled-cluster-theory-based-on-the-4-component-dirac-coulomb-gaunt-hamiltonian-energies-for-single-electron-detachment-attachment-and-electronically-excited-states-1808.08205"/></url>
<url><loc>https://scifaro.com/en/abs/electron-dynamics-method-using-a-locally-projected-group-diabatic-fock-matrix-for-molecules-and-aggregates-1808.08362</loc><lastmod>2019-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-dynamics-method-using-a-locally-projected-group-diabatic-fock-matrix-for-molecules-and-aggregates-1808.08362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-dynamics-method-using-a-locally-projected-group-diabatic-fock-matrix-for-molecules-and-aggregates-1808.08362"/></url>
<url><loc>https://scifaro.com/en/abs/the-chemical-reactions-in-electrosprays-of-water-do-not-always-correspond-to-those-at-the-pristine-air-water-interface-1808.08928</loc><lastmod>2018-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-chemical-reactions-in-electrosprays-of-water-do-not-always-correspond-to-those-at-the-pristine-air-water-interface-1808.08928"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-chemical-reactions-in-electrosprays-of-water-do-not-always-correspond-to-those-at-the-pristine-air-water-interface-1808.08928"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-treatment-of-high-lying-electronic-states-of-h-2-1808.08943</loc><lastmod>2018-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-treatment-of-high-lying-electronic-states-of-h-2-1808.08943"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-treatment-of-high-lying-electronic-states-of-h-2-1808.08943"/></url>
<url><loc>https://scifaro.com/en/abs/a-combined-selected-configuration-interaction-and-many-body-treatment-of-static-and-dynamical-correlation-in-oligoacenes-1808.09403</loc><lastmod>2018-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-combined-selected-configuration-interaction-and-many-body-treatment-of-static-and-dynamical-correlation-in-oligoacenes-1808.09403"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-combined-selected-configuration-interaction-and-many-body-treatment-of-static-and-dynamical-correlation-in-oligoacenes-1808.09403"/></url>
<url><loc>https://scifaro.com/en/abs/optimal-voltage-for-nanoparticle-detection-with-thin-nanopores-1808.09498</loc><lastmod>2018-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-voltage-for-nanoparticle-detection-with-thin-nanopores-1808.09498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-voltage-for-nanoparticle-detection-with-thin-nanopores-1808.09498"/></url>
<url><loc>https://scifaro.com/en/abs/metal-oxidation-kinetics-and-the-transition-from-thin-to-thick-films-1808.09570</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/metal-oxidation-kinetics-and-the-transition-from-thin-to-thick-films-1808.09570"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/metal-oxidation-kinetics-and-the-transition-from-thin-to-thick-films-1808.09570"/></url>
<url><loc>https://scifaro.com/en/abs/a-local-fingerprint-for-hydrophobicity-and-hydrophilicity-from-methane-to-peptides-1808.09712</loc><lastmod>2019-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-local-fingerprint-for-hydrophobicity-and-hydrophilicity-from-methane-to-peptides-1808.09712"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-local-fingerprint-for-hydrophobicity-and-hydrophilicity-from-methane-to-peptides-1808.09712"/></url>
<url><loc>https://scifaro.com/en/abs/a-finite-field-approach-for-gw-calculations-beyond-the-random-phase-approximation-1808.10001</loc><lastmod>2018-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-finite-field-approach-for-gw-calculations-beyond-the-random-phase-approximation-1808.10001"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-finite-field-approach-for-gw-calculations-beyond-the-random-phase-approximation-1808.10001"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-molecular-shape-on-self-diffusion-under-severe-confinement-a-molecular-dynamics-study-1808.10053</loc><lastmod>2018-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-molecular-shape-on-self-diffusion-under-severe-confinement-a-molecular-dynamics-study-1808.10053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-molecular-shape-on-self-diffusion-under-severe-confinement-a-molecular-dynamics-study-1808.10053"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-state-resolution-of-the-c-60-fullerene-1808.10087</loc><lastmod>2019-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-state-resolution-of-the-c-60-fullerene-1808.10087"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-state-resolution-of-the-c-60-fullerene-1808.10087"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-calculations-and-thermodynamic-analysis-of-the-forsterite-mg-2-sio-4-010-surface-1808.10170</loc><lastmod>2019-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-calculations-and-thermodynamic-analysis-of-the-forsterite-mg-2-sio-4-010-surface-1808.10170"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-calculations-and-thermodynamic-analysis-of-the-forsterite-mg-2-sio-4-010-surface-1808.10170"/></url>
<url><loc>https://scifaro.com/en/abs/quantification-of-electron-correlation-effects-quantum-information-theory-versus-method-of-increments-1808.10200</loc><lastmod>2019-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantification-of-electron-correlation-effects-quantum-information-theory-versus-method-of-increments-1808.10200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantification-of-electron-correlation-effects-quantum-information-theory-versus-method-of-increments-1808.10200"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-selective-intergranular-oxidation-of-binary-alloys-1808.10397</loc><lastmod>2018-09-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-selective-intergranular-oxidation-of-binary-alloys-1808.10397"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-selective-intergranular-oxidation-of-binary-alloys-1808.10397"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-chemical-theory-with-cluster-sampling-from-ab-initio-molecular-dynamics-fluoride-f-anion-hydration-1808.10737</loc><lastmod>2019-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-chemical-theory-with-cluster-sampling-from-ab-initio-molecular-dynamics-fluoride-f-anion-hydration-1808.10737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-chemical-theory-with-cluster-sampling-from-ab-initio-molecular-dynamics-fluoride-f-anion-hydration-1808.10737"/></url>
<url><loc>https://scifaro.com/en/abs/method-for-including-static-correlation-in-molecules-1808.10819</loc><lastmod>2018-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/method-for-including-static-correlation-in-molecules-1808.10819"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/method-for-including-static-correlation-in-molecules-1808.10819"/></url>
<url><loc>https://scifaro.com/en/abs/state-resolved-investigation-of-f-orster-resonant-energy-transfer-in-collisions-between-polar-molecules-and-rydberg-atoms-1809.00624</loc><lastmod>2018-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-resolved-investigation-of-f-orster-resonant-energy-transfer-in-collisions-between-polar-molecules-and-rydberg-atoms-1809.00624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-resolved-investigation-of-f-orster-resonant-energy-transfer-in-collisions-between-polar-molecules-and-rydberg-atoms-1809.00624"/></url>
<url><loc>https://scifaro.com/en/abs/finite-electric-displacement-simulations-of-polar-ionic-solid-electrolyte-interfaces-application-to-nacl-111-aqueous-nacl-solution-1809.00892</loc><lastmod>2019-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finite-electric-displacement-simulations-of-polar-ionic-solid-electrolyte-interfaces-application-to-nacl-111-aqueous-nacl-solution-1809.00892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finite-electric-displacement-simulations-of-polar-ionic-solid-electrolyte-interfaces-application-to-nacl-111-aqueous-nacl-solution-1809.00892"/></url>
<url><loc>https://scifaro.com/en/abs/implementation-of-the-exact-semi-classical-light-matter-interaction-the-easy-way-1809.01366</loc><lastmod>2019-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/implementation-of-the-exact-semi-classical-light-matter-interaction-the-easy-way-1809.01366"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/implementation-of-the-exact-semi-classical-light-matter-interaction-the-easy-way-1809.01366"/></url>
<url><loc>https://scifaro.com/en/abs/curing-basis-set-convergence-of-wave-function-theory-using-density-functional-theory-a-systematically-improvable-approach-1809.01466</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/curing-basis-set-convergence-of-wave-function-theory-using-density-functional-theory-a-systematically-improvable-approach-1809.01466"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/curing-basis-set-convergence-of-wave-function-theory-using-density-functional-theory-a-systematically-improvable-approach-1809.01466"/></url>
<url><loc>https://scifaro.com/en/abs/alchemical-perturbation-density-functional-theory-apdft-1809.01647</loc><lastmod>2020-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alchemical-perturbation-density-functional-theory-apdft-1809.01647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alchemical-perturbation-density-functional-theory-apdft-1809.01647"/></url>
<url><loc>https://scifaro.com/en/abs/accdb-a-collection-of-chemistry-databases-for-broad-computational-purposes-1809.01707</loc><lastmod>2023-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accdb-a-collection-of-chemistry-databases-for-broad-computational-purposes-1809.01707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accdb-a-collection-of-chemistry-databases-for-broad-computational-purposes-1809.01707"/></url>
<url><loc>https://scifaro.com/en/abs/zero-field-splitting-parameters-from-four-component-relativistic-methods-1809.02151</loc><lastmod>2019-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zero-field-splitting-parameters-from-four-component-relativistic-methods-1809.02151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zero-field-splitting-parameters-from-four-component-relativistic-methods-1809.02151"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-mechanics-simulations-and-improved-tight-binding-hamiltonians-for-artificial-light-harvesting-systems-predicting-geometric-distributions-disorder-and-spectroscopy-of-chromophores-in-a-protein-environment-1809.02324</loc><lastmod>2019-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-mechanics-simulations-and-improved-tight-binding-hamiltonians-for-artificial-light-harvesting-systems-predicting-geometric-distributions-disorder-and-spectroscopy-of-chromophores-in-a-protein-environment-1809.02324"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-mechanics-simulations-and-improved-tight-binding-hamiltonians-for-artificial-light-harvesting-systems-predicting-geometric-distributions-disorder-and-spectroscopy-of-chromophores-in-a-protein-environment-1809.02324"/></url>
<url><loc>https://scifaro.com/en/abs/multi-reference-algebraic-diagrammatic-construction-theory-for-excited-states-general-formulation-and-first-order-implementation-1809.02556</loc><lastmod>2018-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-reference-algebraic-diagrammatic-construction-theory-for-excited-states-general-formulation-and-first-order-implementation-1809.02556"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-reference-algebraic-diagrammatic-construction-theory-for-excited-states-general-formulation-and-first-order-implementation-1809.02556"/></url>
<url><loc>https://scifaro.com/en/abs/deep-neural-network-computes-electron-densities-and-energies-of-a-large-set-of-organic-molecules-faster-than-density-functional-theory-dft-1809.02723</loc><lastmod>2018-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deep-neural-network-computes-electron-densities-and-energies-of-a-large-set-of-organic-molecules-faster-than-density-functional-theory-dft-1809.02723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deep-neural-network-computes-electron-densities-and-energies-of-a-large-set-of-organic-molecules-faster-than-density-functional-theory-dft-1809.02723"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-approach-to-the-quantum-dynamics-and-rates-of-processes-induced-by-natural-incoherent-light-1809.02858</loc><lastmod>2018-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-approach-to-the-quantum-dynamics-and-rates-of-processes-induced-by-natural-incoherent-light-1809.02858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-approach-to-the-quantum-dynamics-and-rates-of-processes-induced-by-natural-incoherent-light-1809.02858"/></url>
<url><loc>https://scifaro.com/en/abs/material-size-dependence-on-fundamental-constants-1809.02863</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/material-size-dependence-on-fundamental-constants-1809.02863"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/material-size-dependence-on-fundamental-constants-1809.02863"/></url>
<url><loc>https://scifaro.com/en/abs/optical-absorption-in-atoms-and-molecules-near-laser-induced-exceptional-points-1809.02868</loc><lastmod>2019-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-absorption-in-atoms-and-molecules-near-laser-induced-exceptional-points-1809.02868"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-absorption-in-atoms-and-molecules-near-laser-induced-exceptional-points-1809.02868"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-the-ozonolysis-of-isoprene-in-a-cryogenic-buffer-gas-cell-by-high-resolution-microwave-spectroscopy-1809.02878</loc><lastmod>2018-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-the-ozonolysis-of-isoprene-in-a-cryogenic-buffer-gas-cell-by-high-resolution-microwave-spectroscopy-1809.02878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-the-ozonolysis-of-isoprene-in-a-cryogenic-buffer-gas-cell-by-high-resolution-microwave-spectroscopy-1809.02878"/></url>
<url><loc>https://scifaro.com/en/abs/the-difference-between-faradaic-and-non-faradaic-electrode-processes-1809.02930</loc><lastmod>2021-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-difference-between-faradaic-and-non-faradaic-electrode-processes-1809.02930"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-difference-between-faradaic-and-non-faradaic-electrode-processes-1809.02930"/></url>
<url><loc>https://scifaro.com/en/abs/even-handed-subsystem-selection-in-projection-based-embedding-1809.03004</loc><lastmod>2018-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/even-handed-subsystem-selection-in-projection-based-embedding-1809.03004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/even-handed-subsystem-selection-in-projection-based-embedding-1809.03004"/></url>
<url><loc>https://scifaro.com/en/abs/alchemical-normal-modes-unify-chemical-space-1809.03302</loc><lastmod>2018-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alchemical-normal-modes-unify-chemical-space-1809.03302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alchemical-normal-modes-unify-chemical-space-1809.03302"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-breakdown-of-the-ehrenfest-method-for-molecular-dynamics-on-surfaces-1809.03829</loc><lastmod>2021-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-breakdown-of-the-ehrenfest-method-for-molecular-dynamics-on-surfaces-1809.03829"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-breakdown-of-the-ehrenfest-method-for-molecular-dynamics-on-surfaces-1809.03829"/></url>
<url><loc>https://scifaro.com/en/abs/the-low-temperature-d-h-2-rightarrow-hd-h-reaction-rate-coefficient-a-ring-polymer-molecular-dynamics-and-quasi-classical-trajectory-study-1809.03929</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-low-temperature-d-h-2-rightarrow-hd-h-reaction-rate-coefficient-a-ring-polymer-molecular-dynamics-and-quasi-classical-trajectory-study-1809.03929"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-low-temperature-d-h-2-rightarrow-hd-h-reaction-rate-coefficient-a-ring-polymer-molecular-dynamics-and-quasi-classical-trajectory-study-1809.03929"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-intermolecular-energy-transfer-from-vibrations-to-electronic-motion-1809.04054</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-intermolecular-energy-transfer-from-vibrations-to-electronic-motion-1809.04054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-intermolecular-energy-transfer-from-vibrations-to-electronic-motion-1809.04054"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-electronic-excited-states-of-molecules-in-solution-1809.04152</loc><lastmod>2018-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-electronic-excited-states-of-molecules-in-solution-1809.04152"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-electronic-excited-states-of-molecules-in-solution-1809.04152"/></url>
<url><loc>https://scifaro.com/en/abs/strong-anisotropy-in-liquid-water-upon-librational-excitation-using-terahertz-laser-fields-1809.04261</loc><lastmod>2020-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-anisotropy-in-liquid-water-upon-librational-excitation-using-terahertz-laser-fields-1809.04261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-anisotropy-in-liquid-water-upon-librational-excitation-using-terahertz-laser-fields-1809.04261"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-system-partitioning-at-the-single-particle-level-1809.04476</loc><lastmod>2019-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-system-partitioning-at-the-single-particle-level-1809.04476"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-system-partitioning-at-the-single-particle-level-1809.04476"/></url>
<url><loc>https://scifaro.com/en/abs/ehrenfest-r-dynamics-ii-a-semiclassical-qed-framework-for-raman-scattering-1809.04498</loc><lastmod>2019-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ehrenfest-r-dynamics-ii-a-semiclassical-qed-framework-for-raman-scattering-1809.04498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ehrenfest-r-dynamics-ii-a-semiclassical-qed-framework-for-raman-scattering-1809.04498"/></url>
<url><loc>https://scifaro.com/en/abs/fast-semistochastic-heat-bath-configuration-interaction-1809.04600</loc><lastmod>2019-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-semistochastic-heat-bath-configuration-interaction-1809.04600"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-semistochastic-heat-bath-configuration-interaction-1809.04600"/></url>
<url><loc>https://scifaro.com/en/abs/self-energy-embedding-theory-seet-for-periodic-systems-1809.04707</loc><lastmod>2019-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-energy-embedding-theory-seet-for-periodic-systems-1809.04707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-energy-embedding-theory-seet-for-periodic-systems-1809.04707"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-optimal-basis-set-for-electron-dynamics-in-strong-laser-fields-the-case-of-molecular-ion-h-2-1809.04879</loc><lastmod>2018-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-optimal-basis-set-for-electron-dynamics-in-strong-laser-fields-the-case-of-molecular-ion-h-2-1809.04879"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-optimal-basis-set-for-electron-dynamics-in-strong-laser-fields-the-case-of-molecular-ion-h-2-1809.04879"/></url>
<url><loc>https://scifaro.com/en/abs/transport-properties-of-valine-in-water-at-different-temperatures-1809.04996</loc><lastmod>2018-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transport-properties-of-valine-in-water-at-different-temperatures-1809.04996"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transport-properties-of-valine-in-water-at-different-temperatures-1809.04996"/></url>
<url><loc>https://scifaro.com/en/abs/simulated-tempering-method-in-the-infinite-switch-limit-with-adaptive-weight-learning-1809.05066</loc><lastmod>2019-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulated-tempering-method-in-the-infinite-switch-limit-with-adaptive-weight-learning-1809.05066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulated-tempering-method-in-the-infinite-switch-limit-with-adaptive-weight-learning-1809.05066"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-molecular-polarizabilities-with-coupled-cluster-theory-and-machine-learning-1809.05337</loc><lastmod>2025-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-molecular-polarizabilities-with-coupled-cluster-theory-and-machine-learning-1809.05337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-molecular-polarizabilities-with-coupled-cluster-theory-and-machine-learning-1809.05337"/></url>
<url><loc>https://scifaro.com/en/abs/a-transferable-machine-learning-model-of-the-electron-density-1809.05349</loc><lastmod>2025-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-transferable-machine-learning-model-of-the-electron-density-1809.05349"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-transferable-machine-learning-model-of-the-electron-density-1809.05349"/></url>
<url><loc>https://scifaro.com/en/abs/anharmonic-vibrational-spectroscopy-of-polycyclic-aromatic-hydrocarbons-pahs-1809.05669</loc><lastmod>2018-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anharmonic-vibrational-spectroscopy-of-polycyclic-aromatic-hydrocarbons-pahs-1809.05669"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anharmonic-vibrational-spectroscopy-of-polycyclic-aromatic-hydrocarbons-pahs-1809.05669"/></url>
<url><loc>https://scifaro.com/en/abs/probing-the-link-between-residual-entropy-and-viscosity-of-molecular-fluids-and-model-potentials-1809.05682</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-the-link-between-residual-entropy-and-viscosity-of-molecular-fluids-and-model-potentials-1809.05682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-the-link-between-residual-entropy-and-viscosity-of-molecular-fluids-and-model-potentials-1809.05682"/></url>
<url><loc>https://scifaro.com/en/abs/modelling-strategies-for-the-covalent-functionalization-of-2d-phosphorene-1809.06058</loc><lastmod>2018-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modelling-strategies-for-the-covalent-functionalization-of-2d-phosphorene-1809.06058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modelling-strategies-for-the-covalent-functionalization-of-2d-phosphorene-1809.06058"/></url>
<url><loc>https://scifaro.com/en/abs/the-onset-of-dehydrogenation-in-solid-ammonia-borane-an-ab-initio-metadynamics-study-1809.06118</loc><lastmod>2019-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-onset-of-dehydrogenation-in-solid-ammonia-borane-an-ab-initio-metadynamics-study-1809.06118"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-onset-of-dehydrogenation-in-solid-ammonia-borane-an-ab-initio-metadynamics-study-1809.06118"/></url>
<url><loc>https://scifaro.com/en/abs/in-situ-molecular-level-observation-of-methanol-catalysis-at-the-water-graphite-interface-1809.06310</loc><lastmod>2018-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-situ-molecular-level-observation-of-methanol-catalysis-at-the-water-graphite-interface-1809.06310"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-situ-molecular-level-observation-of-methanol-catalysis-at-the-water-graphite-interface-1809.06310"/></url>
<url><loc>https://scifaro.com/en/abs/free-sustaining-three-dimensional-s235-steel-based-porous-electrocatalyst-for-highly-efficient-and-durable-oxygen-evolution-1809.06330</loc><lastmod>2018-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/free-sustaining-three-dimensional-s235-steel-based-porous-electrocatalyst-for-highly-efficient-and-durable-oxygen-evolution-1809.06330"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/free-sustaining-three-dimensional-s235-steel-based-porous-electrocatalyst-for-highly-efficient-and-durable-oxygen-evolution-1809.06330"/></url>
<url><loc>https://scifaro.com/en/abs/powerful-transferable-representations-for-molecules-through-intelligent-task-selection-in-deep-multitask-networks-1809.06334</loc><lastmod>2018-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/powerful-transferable-representations-for-molecules-through-intelligent-task-selection-in-deep-multitask-networks-1809.06334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/powerful-transferable-representations-for-molecules-through-intelligent-task-selection-in-deep-multitask-networks-1809.06334"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-oxygen-solubility-in-metastable-water-under-tension-1809.06605</loc><lastmod>2018-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-oxygen-solubility-in-metastable-water-under-tension-1809.06605"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-oxygen-solubility-in-metastable-water-under-tension-1809.06605"/></url>
<url><loc>https://scifaro.com/en/abs/stress-tensor-eigenvector-following-with-next-generation-quantum-theory-of-atoms-in-molecules-1809.06732</loc><lastmod>2018-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stress-tensor-eigenvector-following-with-next-generation-quantum-theory-of-atoms-in-molecules-1809.06732"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stress-tensor-eigenvector-following-with-next-generation-quantum-theory-of-atoms-in-molecules-1809.06732"/></url>
<url><loc>https://scifaro.com/en/abs/hyperfine-resolved-rotation-vibration-line-list-of-ammonia-nh-3-1809.06915</loc><lastmod>2019-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hyperfine-resolved-rotation-vibration-line-list-of-ammonia-nh-3-1809.06915"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hyperfine-resolved-rotation-vibration-line-list-of-ammonia-nh-3-1809.06915"/></url>
<url><loc>https://scifaro.com/en/abs/density-matrix-coupled-time-dependent-exchange-correlation-functional-approximations-1809.07378</loc><lastmod>2018-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-matrix-coupled-time-dependent-exchange-correlation-functional-approximations-1809.07378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-matrix-coupled-time-dependent-exchange-correlation-functional-approximations-1809.07378"/></url>
<url><loc>https://scifaro.com/en/abs/fast-and-accurate-uncertainty-estimation-in-chemical-machine-learning-1809.07653</loc><lastmod>2025-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-and-accurate-uncertainty-estimation-in-chemical-machine-learning-1809.07653"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-and-accurate-uncertainty-estimation-in-chemical-machine-learning-1809.07653"/></url>
<url><loc>https://scifaro.com/en/abs/multidimensional-replica-exchange-simulations-for-efficient-constant-ph-and-redox-potential-molecular-dynamics-1809.07726</loc><lastmod>2018-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multidimensional-replica-exchange-simulations-for-efficient-constant-ph-and-redox-potential-molecular-dynamics-1809.07726"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multidimensional-replica-exchange-simulations-for-efficient-constant-ph-and-redox-potential-molecular-dynamics-1809.07726"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-and-theoretical-aspects-of-the-dmrg-tcc-method-exemplified-by-the-nitrogen-dimer-1809.07732</loc><lastmod>2019-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-and-theoretical-aspects-of-the-dmrg-tcc-method-exemplified-by-the-nitrogen-dimer-1809.07732"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-and-theoretical-aspects-of-the-dmrg-tcc-method-exemplified-by-the-nitrogen-dimer-1809.07732"/></url>
<url><loc>https://scifaro.com/en/abs/a-density-functional-theory-based-study-of-electron-transport-through-ferrocene-compounds-with-different-anchor-groups-in-different-adsorption-configurations-of-a-stm-setup-1809.08174</loc><lastmod>2019-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-density-functional-theory-based-study-of-electron-transport-through-ferrocene-compounds-with-different-anchor-groups-in-different-adsorption-configurations-of-a-stm-setup-1809.08174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-density-functional-theory-based-study-of-electron-transport-through-ferrocene-compounds-with-different-anchor-groups-in-different-adsorption-configurations-of-a-stm-setup-1809.08174"/></url>
<url><loc>https://scifaro.com/en/abs/ammonia-inversion-energy-levels-using-operator-algebra-1809.08178</loc><lastmod>2018-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ammonia-inversion-energy-levels-using-operator-algebra-1809.08178"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ammonia-inversion-energy-levels-using-operator-algebra-1809.08178"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-signature-of-oxidized-oxygen-states-in-peroxides-1809.08292</loc><lastmod>2018-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-signature-of-oxidized-oxygen-states-in-peroxides-1809.08292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-signature-of-oxidized-oxygen-states-in-peroxides-1809.08292"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-density-functional-theory-1809.08307</loc><lastmod>2022-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-density-functional-theory-1809.08307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-density-functional-theory-1809.08307"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-consequences-of-time-reversal-symmetry-for-systems-with-odd-number-of-electrons-conical-intersections-semiclassical-dynamics-and-topology-1809.08456</loc><lastmod>2018-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-consequences-of-time-reversal-symmetry-for-systems-with-odd-number-of-electrons-conical-intersections-semiclassical-dynamics-and-topology-1809.08456"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-consequences-of-time-reversal-symmetry-for-systems-with-odd-number-of-electrons-conical-intersections-semiclassical-dynamics-and-topology-1809.08456"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-double-resonance-spectroscopy-lifetime-measurement-of-the-6-1-sigma-g-7-31-electronic-state-of-molecular-sodium-1809.08540</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-double-resonance-spectroscopy-lifetime-measurement-of-the-6-1-sigma-g-7-31-electronic-state-of-molecular-sodium-1809.08540"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-double-resonance-spectroscopy-lifetime-measurement-of-the-6-1-sigma-g-7-31-electronic-state-of-molecular-sodium-1809.08540"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-study-of-transport-properties-of-cysteine-in-water-1809.08768</loc><lastmod>2018-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-study-of-transport-properties-of-cysteine-in-water-1809.08768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-study-of-transport-properties-of-cysteine-in-water-1809.08768"/></url>
<url><loc>https://scifaro.com/en/abs/range-separated-density-functional-theory-applied-to-the-beryllium-dimer-and-trimer-1809.08814</loc><lastmod>2018-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/range-separated-density-functional-theory-applied-to-the-beryllium-dimer-and-trimer-1809.08814"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/range-separated-density-functional-theory-applied-to-the-beryllium-dimer-and-trimer-1809.08814"/></url>
<url><loc>https://scifaro.com/en/abs/partition-potential-for-hydrogen-bonding-in-formic-acid-dimers-1809.08906</loc><lastmod>2018-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/partition-potential-for-hydrogen-bonding-in-formic-acid-dimers-1809.08906"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/partition-potential-for-hydrogen-bonding-in-formic-acid-dimers-1809.08906"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-energy-gradients-for-variational-two-electron-reduced-density-matrix-methods-within-the-density-fitting-approximation-1809.09058</loc><lastmod>2018-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-energy-gradients-for-variational-two-electron-reduced-density-matrix-methods-within-the-density-fitting-approximation-1809.09058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-energy-gradients-for-variational-two-electron-reduced-density-matrix-methods-within-the-density-fitting-approximation-1809.09058"/></url>
<url><loc>https://scifaro.com/en/abs/direct-evidence-of-the-benzylium-and-tropylium-cations-as-the-two-long-lived-isomers-of-c7h7-1809.09375</loc><lastmod>2018-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-evidence-of-the-benzylium-and-tropylium-cations-as-the-two-long-lived-isomers-of-c7h7-1809.09375"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-evidence-of-the-benzylium-and-tropylium-cations-as-the-two-long-lived-isomers-of-c7h7-1809.09375"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-predictions-of-electron-binding-energies-of-dipole-bound-anions-via-quantum-monte-carlo-methods-1809.09771</loc><lastmod>2018-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-predictions-of-electron-binding-energies-of-dipole-bound-anions-via-quantum-monte-carlo-methods-1809.09771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-predictions-of-electron-binding-energies-of-dipole-bound-anions-via-quantum-monte-carlo-methods-1809.09771"/></url>
<url><loc>https://scifaro.com/en/abs/exact-partition-potential-for-model-systems-of-interacting-electrons-in-1-d-1809.09784</loc><lastmod>2018-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-partition-potential-for-model-systems-of-interacting-electrons-in-1-d-1809.09784"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-partition-potential-for-model-systems-of-interacting-electrons-in-1-d-1809.09784"/></url>
<url><loc>https://scifaro.com/en/abs/towards-hybrid-density-functional-calculations-of-molecular-crystals-via-fragment-based-methods-1809.09959</loc><lastmod>2018-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-hybrid-density-functional-calculations-of-molecular-crystals-via-fragment-based-methods-1809.09959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-hybrid-density-functional-calculations-of-molecular-crystals-via-fragment-based-methods-1809.09959"/></url>
<url><loc>https://scifaro.com/en/abs/multi-sliced-gausslet-basis-sets-for-electronic-structure-1809.10258</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-sliced-gausslet-basis-sets-for-electronic-structure-1809.10258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-sliced-gausslet-basis-sets-for-electronic-structure-1809.10258"/></url>
<url><loc>https://scifaro.com/en/abs/electron-hole-theory-of-the-effect-of-quantum-nuclei-on-the-x-ray-absorption-spectra-of-liquid-water-1809.10304</loc><lastmod>2018-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-hole-theory-of-the-effect-of-quantum-nuclei-on-the-x-ray-absorption-spectra-of-liquid-water-1809.10304"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-hole-theory-of-the-effect-of-quantum-nuclei-on-the-x-ray-absorption-spectra-of-liquid-water-1809.10304"/></url>
<url><loc>https://scifaro.com/en/abs/the-electronic-complexity-of-the-ground-state-of-the-femo-cofactor-of-nitrogenase-as-relevant-to-quantum-simulations-1809.10307</loc><lastmod>2019-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-electronic-complexity-of-the-ground-state-of-the-femo-cofactor-of-nitrogenase-as-relevant-to-quantum-simulations-1809.10307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-electronic-complexity-of-the-ground-state-of-the-femo-cofactor-of-nitrogenase-as-relevant-to-quantum-simulations-1809.10307"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-evidence-invalidating-finite-temperature-many-body-perturbation-theory-1809.10316</loc><lastmod>2019-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-evidence-invalidating-finite-temperature-many-body-perturbation-theory-1809.10316"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-evidence-invalidating-finite-temperature-many-body-perturbation-theory-1809.10316"/></url>
<url><loc>https://scifaro.com/en/abs/gas-molecules-co-nh-3-co-2-sensing-with-polyaniline-emardline-salt-pani-es-a-turbo-tddft-study-1809.10918</loc><lastmod>2021-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gas-molecules-co-nh-3-co-2-sensing-with-polyaniline-emardline-salt-pani-es-a-turbo-tddft-study-1809.10918"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gas-molecules-co-nh-3-co-2-sensing-with-polyaniline-emardline-salt-pani-es-a-turbo-tddft-study-1809.10918"/></url>
<url><loc>https://scifaro.com/en/abs/the-new-face-of-the-activation-volume-in-glass-forming-systems-1810.00195</loc><lastmod>2018-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-new-face-of-the-activation-volume-in-glass-forming-systems-1810.00195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-new-face-of-the-activation-volume-in-glass-forming-systems-1810.00195"/></url>
<url><loc>https://scifaro.com/en/abs/overcoming-the-memory-bottleneck-in-auxiliary-field-quantum-monte-carlo-simulations-with-interpolative-separable-density-fitting-1810.00284</loc><lastmod>2018-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/overcoming-the-memory-bottleneck-in-auxiliary-field-quantum-monte-carlo-simulations-with-interpolative-separable-density-fitting-1810.00284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/overcoming-the-memory-bottleneck-in-auxiliary-field-quantum-monte-carlo-simulations-with-interpolative-separable-density-fitting-1810.00284"/></url>
<url><loc>https://scifaro.com/en/abs/probing-molecular-environments-with-a-fictitious-isotopic-dipole-1810.00287</loc><lastmod>2018-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-molecular-environments-with-a-fictitious-isotopic-dipole-1810.00287"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-molecular-environments-with-a-fictitious-isotopic-dipole-1810.00287"/></url>
<url><loc>https://scifaro.com/en/abs/combining-pair-density-functional-theory-and-variational-two-electron-reduced-density-matrix-methods-1810.00753</loc><lastmod>2018-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-pair-density-functional-theory-and-variational-two-electron-reduced-density-matrix-methods-1810.00753"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-pair-density-functional-theory-and-variational-two-electron-reduced-density-matrix-methods-1810.00753"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-and-ionic-dipole-effects-on-the-electronic-properties-of-si-sio2-grafted-alkylamine-monolayers-1810.00805</loc><lastmod>2018-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-and-ionic-dipole-effects-on-the-electronic-properties-of-si-sio2-grafted-alkylamine-monolayers-1810.00805"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-and-ionic-dipole-effects-on-the-electronic-properties-of-si-sio2-grafted-alkylamine-monolayers-1810.00805"/></url>
<url><loc>https://scifaro.com/en/abs/subspace-based-dimension-reduction-for-chemical-kinetics-applications-with-epistemic-uncertainty-1810.00955</loc><lastmod>2019-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/subspace-based-dimension-reduction-for-chemical-kinetics-applications-with-epistemic-uncertainty-1810.00955"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/subspace-based-dimension-reduction-for-chemical-kinetics-applications-with-epistemic-uncertainty-1810.00955"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-of-two-dimensional-spectroscopic-data-1810.01124</loc><lastmod>2019-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-of-two-dimensional-spectroscopic-data-1810.01124"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-of-two-dimensional-spectroscopic-data-1810.01124"/></url>
<url><loc>https://scifaro.com/en/abs/intentionally-added-ionic-surfactants-induce-jones-ray-effect-at-air-water-interface-1810.01182</loc><lastmod>2018-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intentionally-added-ionic-surfactants-induce-jones-ray-effect-at-air-water-interface-1810.01182"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intentionally-added-ionic-surfactants-induce-jones-ray-effect-at-air-water-interface-1810.01182"/></url>
<url><loc>https://scifaro.com/en/abs/impedance-resonance-in-narrow-confinement-1810.01321</loc><lastmod>2018-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impedance-resonance-in-narrow-confinement-1810.01321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impedance-resonance-in-narrow-confinement-1810.01321"/></url>
<url><loc>https://scifaro.com/en/abs/sodium-metal-battery-using-cobaltoxide-through-in-situ-plating-of-sodium-metal-1810.01471</loc><lastmod>2018-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sodium-metal-battery-using-cobaltoxide-through-in-situ-plating-of-sodium-metal-1810.01471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sodium-metal-battery-using-cobaltoxide-through-in-situ-plating-of-sodium-metal-1810.01471"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-quantum-effect-on-hydrogen-bond-geometry-in-water-dimer-1810.01787</loc><lastmod>2018-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-quantum-effect-on-hydrogen-bond-geometry-in-water-dimer-1810.01787"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-quantum-effect-on-hydrogen-bond-geometry-in-water-dimer-1810.01787"/></url>
<url><loc>https://scifaro.com/en/abs/multi-time-formulation-of-matsubara-dynamics-1810.01840</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-time-formulation-of-matsubara-dynamics-1810.01840"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-time-formulation-of-matsubara-dynamics-1810.01840"/></url>
<url><loc>https://scifaro.com/en/abs/a-molecular-density-functional-theory-approach-to-electron-transfer-reactions-1810.02168</loc><lastmod>2018-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-molecular-density-functional-theory-approach-to-electron-transfer-reactions-1810.02168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-molecular-density-functional-theory-approach-to-electron-transfer-reactions-1810.02168"/></url>
<url><loc>https://scifaro.com/en/abs/pair-and-many-body-interactions-between-ligated-au-nanoparticles-1810.02788</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pair-and-many-body-interactions-between-ligated-au-nanoparticles-1810.02788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pair-and-many-body-interactions-between-ligated-au-nanoparticles-1810.02788"/></url>
<url><loc>https://scifaro.com/en/abs/the-pure-rotational-spectrum-of-yboh-1810.02791</loc><lastmod>2018-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-pure-rotational-spectrum-of-yboh-1810.02791"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-pure-rotational-spectrum-of-yboh-1810.02791"/></url>
<url><loc>https://scifaro.com/en/abs/imaging-the-photochemical-ring-opening-of-1-3-cyclohexadiene-by-ultrafast-electron-diffraction-1810.02900</loc><lastmod>2019-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-the-photochemical-ring-opening-of-1-3-cyclohexadiene-by-ultrafast-electron-diffraction-1810.02900"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-the-photochemical-ring-opening-of-1-3-cyclohexadiene-by-ultrafast-electron-diffraction-1810.02900"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-and-controllable-enhancement-of-light-harvesting-efficiency-1810.03251</loc><lastmod>2019-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-and-controllable-enhancement-of-light-harvesting-efficiency-1810.03251"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-and-controllable-enhancement-of-light-harvesting-efficiency-1810.03251"/></url>
<url><loc>https://scifaro.com/en/abs/exactly-embedded-multiconfigurational-self-consistent-field-theory-using-density-matrix-embedding-the-localized-active-space-self-consistent-field-method-1810.03266</loc><lastmod>2019-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exactly-embedded-multiconfigurational-self-consistent-field-theory-using-density-matrix-embedding-the-localized-active-space-self-consistent-field-method-1810.03266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exactly-embedded-multiconfigurational-self-consistent-field-theory-using-density-matrix-embedding-the-localized-active-space-self-consistent-field-method-1810.03266"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-scattering-with-the-r-matrix-method-the-morse-potential-1810.03475</loc><lastmod>2018-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-scattering-with-the-r-matrix-method-the-morse-potential-1810.03475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-scattering-with-the-r-matrix-method-the-morse-potential-1810.03475"/></url>
<url><loc>https://scifaro.com/en/abs/automated-detection-of-many-particle-solvation-states-for-accurate-characterizations-of-diffusion-kinetics-1810.03528</loc><lastmod>2019-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-detection-of-many-particle-solvation-states-for-accurate-characterizations-of-diffusion-kinetics-1810.03528"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-detection-of-many-particle-solvation-states-for-accurate-characterizations-of-diffusion-kinetics-1810.03528"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-numerical-evidence-falsifying-finite-temperature-many-body-perturbation-theory-1810.03653</loc><lastmod>2019-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-numerical-evidence-falsifying-finite-temperature-many-body-perturbation-theory-1810.03653"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-numerical-evidence-falsifying-finite-temperature-many-body-perturbation-theory-1810.03653"/></url>
<url><loc>https://scifaro.com/en/abs/decoupling-of-self-diffusion-from-viscosity-of-supercooled-water-role-of-translational-jump-diffusion-1810.03800</loc><lastmod>2018-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decoupling-of-self-diffusion-from-viscosity-of-supercooled-water-role-of-translational-jump-diffusion-1810.03800"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decoupling-of-self-diffusion-from-viscosity-of-supercooled-water-role-of-translational-jump-diffusion-1810.03800"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-voltage-controlled-assembly-of-np-arrays-at-electrochemical-solid-liquid-interfaces-1810.05019</loc><lastmod>2018-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-voltage-controlled-assembly-of-np-arrays-at-electrochemical-solid-liquid-interfaces-1810.05019"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-voltage-controlled-assembly-of-np-arrays-at-electrochemical-solid-liquid-interfaces-1810.05019"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-cholesky-decomposed-density-matrix-mp2-1810.05232</loc><lastmod>2018-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-cholesky-decomposed-density-matrix-mp2-1810.05232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-cholesky-decomposed-density-matrix-mp2-1810.05232"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-calculation-of-resonances-in-pre-born-oppenheimer-molecular-structure-theory-1810.05493</loc><lastmod>2018-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-calculation-of-resonances-in-pre-born-oppenheimer-molecular-structure-theory-1810.05493"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-calculation-of-resonances-in-pre-born-oppenheimer-molecular-structure-theory-1810.05493"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-mass-correction-functions-and-rovibrational-states-of-4-he-2-x-2-sigma-text-u-1810.05584</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-mass-correction-functions-and-rovibrational-states-of-4-he-2-x-2-sigma-text-u-1810.05584"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-mass-correction-functions-and-rovibrational-states-of-4-he-2-x-2-sigma-text-u-1810.05584"/></url>
<url><loc>https://scifaro.com/en/abs/elucidating-the-nuclearquantum-dynamics-of-intramolecular-double-hydrogen-transfer-in-porphycene-1810.05681</loc><lastmod>2019-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elucidating-the-nuclearquantum-dynamics-of-intramolecular-double-hydrogen-transfer-in-porphycene-1810.05681"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elucidating-the-nuclearquantum-dynamics-of-intramolecular-double-hydrogen-transfer-in-porphycene-1810.05681"/></url>
<url><loc>https://scifaro.com/en/abs/deep-diving-into-the-comparative-study-of-choline-dynamics-using-molecular-dynamics-simulation-and-neutron-scattering-technique-1810.05904</loc><lastmod>2018-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deep-diving-into-the-comparative-study-of-choline-dynamics-using-molecular-dynamics-simulation-and-neutron-scattering-technique-1810.05904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deep-diving-into-the-comparative-study-of-choline-dynamics-using-molecular-dynamics-simulation-and-neutron-scattering-technique-1810.05904"/></url>
<url><loc>https://scifaro.com/en/abs/a-comparative-study-of-solvent-dynamics-in-choline-bromide-aqueous-solution-using-combination-of-neutron-scattering-technique-and-molecular-dynamics-simulation-1810.05911</loc><lastmod>2018-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comparative-study-of-solvent-dynamics-in-choline-bromide-aqueous-solution-using-combination-of-neutron-scattering-technique-and-molecular-dynamics-simulation-1810.05911"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comparative-study-of-solvent-dynamics-in-choline-bromide-aqueous-solution-using-combination-of-neutron-scattering-technique-and-molecular-dynamics-simulation-1810.05911"/></url>
<url><loc>https://scifaro.com/en/abs/describe-nmr-relaxation-by-anomalous-rotational-or-translational-diffusion-1810.06054</loc><lastmod>2018-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/describe-nmr-relaxation-by-anomalous-rotational-or-translational-diffusion-1810.06054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/describe-nmr-relaxation-by-anomalous-rotational-or-translational-diffusion-1810.06054"/></url>
<url><loc>https://scifaro.com/en/abs/a-transferable-artificial-neural-network-model-for-atomic-forces-in-nanoparticles-1810.06204</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-transferable-artificial-neural-network-model-for-atomic-forces-in-nanoparticles-1810.06204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-transferable-artificial-neural-network-model-for-atomic-forces-in-nanoparticles-1810.06204"/></url>
<url><loc>https://scifaro.com/en/abs/water-oxidation-versus-hydroxylation-by-the-terminal-oxo-center-of-the-fe-iii-hydroxide-dft-predictions-1810.06343</loc><lastmod>2018-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-oxidation-versus-hydroxylation-by-the-terminal-oxo-center-of-the-fe-iii-hydroxide-dft-predictions-1810.06343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-oxidation-versus-hydroxylation-by-the-terminal-oxo-center-of-the-fe-iii-hydroxide-dft-predictions-1810.06343"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-lifetime-and-concomitant-double-excitation-character-of-plasmons-at-metallic-densities-1810.06591</loc><lastmod>2019-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-lifetime-and-concomitant-double-excitation-character-of-plasmons-at-metallic-densities-1810.06591"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-lifetime-and-concomitant-double-excitation-character-of-plasmons-at-metallic-densities-1810.06591"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-micro-heterogeneity-in-mixtures-the-role-of-many-body-terms-1810.06824</loc><lastmod>2019-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-micro-heterogeneity-in-mixtures-the-role-of-many-body-terms-1810.06824"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-micro-heterogeneity-in-mixtures-the-role-of-many-body-terms-1810.06824"/></url>
<url><loc>https://scifaro.com/en/abs/aerosol-ot-surfactant-forms-stable-reverse-micelles-in-aploar-solvent-in-the-absence-of-water-1810.07337</loc><lastmod>2019-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/aerosol-ot-surfactant-forms-stable-reverse-micelles-in-aploar-solvent-in-the-absence-of-water-1810.07337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/aerosol-ot-surfactant-forms-stable-reverse-micelles-in-aploar-solvent-in-the-absence-of-water-1810.07337"/></url>
<url><loc>https://scifaro.com/en/abs/exploration-of-reaction-pathways-and-chemical-transformation-networks-1810.07490</loc><lastmod>2019-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploration-of-reaction-pathways-and-chemical-transformation-networks-1810.07490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploration-of-reaction-pathways-and-chemical-transformation-networks-1810.07490"/></url>
<url><loc>https://scifaro.com/en/abs/new-born-oppenheimer-molecular-dynamics-based-on-the-extended-hueckel-method-first-results-and-future-developments-1810.07680</loc><lastmod>2018-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-born-oppenheimer-molecular-dynamics-based-on-the-extended-hueckel-method-first-results-and-future-developments-1810.07680"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-born-oppenheimer-molecular-dynamics-based-on-the-extended-hueckel-method-first-results-and-future-developments-1810.07680"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-the-exchange-correlation-potential-of-functionals-based-on-the-adiabatic-connection-interpolation-1810.08458</loc><lastmod>2018-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-the-exchange-correlation-potential-of-functionals-based-on-the-adiabatic-connection-interpolation-1810.08458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-the-exchange-correlation-potential-of-functionals-based-on-the-adiabatic-connection-interpolation-1810.08458"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-possibility-of-homogeneous-nucleation-of-water-droplets-and-or-ice-crystals-during-the-bounces-of-a-cavitation-bubble-1810.08569</loc><lastmod>2018-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-possibility-of-homogeneous-nucleation-of-water-droplets-and-or-ice-crystals-during-the-bounces-of-a-cavitation-bubble-1810.08569"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-possibility-of-homogeneous-nucleation-of-water-droplets-and-or-ice-crystals-during-the-bounces-of-a-cavitation-bubble-1810.08569"/></url>
<url><loc>https://scifaro.com/en/abs/dielectric-response-of-the-water-hydration-shell-of-an-ion-a-field-theory-approach-1810.08690</loc><lastmod>2019-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dielectric-response-of-the-water-hydration-shell-of-an-ion-a-field-theory-approach-1810.08690"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dielectric-response-of-the-water-hydration-shell-of-an-ion-a-field-theory-approach-1810.08690"/></url>
<url><loc>https://scifaro.com/en/abs/classical-approach-to-collision-complexes-in-ultracold-chemical-reactions-1810.08849</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classical-approach-to-collision-complexes-in-ultracold-chemical-reactions-1810.08849"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classical-approach-to-collision-complexes-in-ultracold-chemical-reactions-1810.08849"/></url>
<url><loc>https://scifaro.com/en/abs/the-critical-effect-of-hydration-on-the-resonant-signatures-of-thz-biospectroscopy-1810.08877</loc><lastmod>2018-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-critical-effect-of-hydration-on-the-resonant-signatures-of-thz-biospectroscopy-1810.08877"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-critical-effect-of-hydration-on-the-resonant-signatures-of-thz-biospectroscopy-1810.08877"/></url>
<url><loc>https://scifaro.com/en/abs/co2-activation-and-enhanced-capture-by-c6li6-a-density-functional-approach-1810.08896</loc><lastmod>2018-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/co2-activation-and-enhanced-capture-by-c6li6-a-density-functional-approach-1810.08896"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/co2-activation-and-enhanced-capture-by-c6li6-a-density-functional-approach-1810.08896"/></url>
<url><loc>https://scifaro.com/en/abs/well-behaved-versus-ill-behaved-density-functionals-for-single-bond-dissociation-separating-success-from-disaster-functional-by-functional-for-stretched-h-2-1810.09083</loc><lastmod>2019-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/well-behaved-versus-ill-behaved-density-functionals-for-single-bond-dissociation-separating-success-from-disaster-functional-by-functional-for-stretched-h-2-1810.09083"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/well-behaved-versus-ill-behaved-density-functionals-for-single-bond-dissociation-separating-success-from-disaster-functional-by-functional-for-stretched-h-2-1810.09083"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-validity-of-the-born-oppenheimer-approximation-in-the-indirect-dissociative-recombination-process-1810.09124</loc><lastmod>2018-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-validity-of-the-born-oppenheimer-approximation-in-the-indirect-dissociative-recombination-process-1810.09124"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-validity-of-the-born-oppenheimer-approximation-in-the-indirect-dissociative-recombination-process-1810.09124"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-spectroscopically-determined-potential-energy-surface-and-emph-ab-initio-dipole-moment-surface-for-high-accuracy-hcn-intensity-calculations-1810.09314</loc><lastmod>2018-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-spectroscopically-determined-potential-energy-surface-and-emph-ab-initio-dipole-moment-surface-for-high-accuracy-hcn-intensity-calculations-1810.09314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-spectroscopically-determined-potential-energy-surface-and-emph-ab-initio-dipole-moment-surface-for-high-accuracy-hcn-intensity-calculations-1810.09314"/></url>
<url><loc>https://scifaro.com/en/abs/model-of-vibrones-in-quantum-photosynthesis-as-an-analog-of-model-of-laser-1810.09334</loc><lastmod>2018-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/model-of-vibrones-in-quantum-photosynthesis-as-an-analog-of-model-of-laser-1810.09334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/model-of-vibrones-in-quantum-photosynthesis-as-an-analog-of-model-of-laser-1810.09334"/></url>
<url><loc>https://scifaro.com/en/abs/determining-gas-composition-for-growth-of-bnnts-using-thermodynamic-approach-1810.09586</loc><lastmod>2019-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determining-gas-composition-for-growth-of-bnnts-using-thermodynamic-approach-1810.09586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determining-gas-composition-for-growth-of-bnnts-using-thermodynamic-approach-1810.09586"/></url>
<url><loc>https://scifaro.com/en/abs/impedance-spectroscopy-studies-on-lead-free-ba-1-x-mg-x-ti0-9-zr-0-1-o-3-ceramics-1810.09695</loc><lastmod>2018-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impedance-spectroscopy-studies-on-lead-free-ba-1-x-mg-x-ti0-9-zr-0-1-o-3-ceramics-1810.09695"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impedance-spectroscopy-studies-on-lead-free-ba-1-x-mg-x-ti0-9-zr-0-1-o-3-ceramics-1810.09695"/></url>
<url><loc>https://scifaro.com/en/abs/approximating-quasiparticle-and-excitation-energies-from-ground-state-generalized-kohn-sham-calculations-1810.09906</loc><lastmod>2019-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximating-quasiparticle-and-excitation-energies-from-ground-state-generalized-kohn-sham-calculations-1810.09906"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximating-quasiparticle-and-excitation-energies-from-ground-state-generalized-kohn-sham-calculations-1810.09906"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-landscape-of-the-p-cluster-of-nitrogenase-as-revealed-through-many-electron-quantum-wavefunctions-1810.10196</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-landscape-of-the-p-cluster-of-nitrogenase-as-revealed-through-many-electron-quantum-wavefunctions-1810.10196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-landscape-of-the-p-cluster-of-nitrogenase-as-revealed-through-many-electron-quantum-wavefunctions-1810.10196"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-calculation-and-thermodynamic-analysis-of-the-bridgmanite-surface-structure-1810.10219</loc><lastmod>2019-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-calculation-and-thermodynamic-analysis-of-the-bridgmanite-surface-structure-1810.10219"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-calculation-and-thermodynamic-analysis-of-the-bridgmanite-surface-structure-1810.10219"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-chemical-kinetics-on-spontaneous-waves-and-detonation-initiation-in-highly-reactive-and-low-reactive-mixtures-1810.10311</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-chemical-kinetics-on-spontaneous-waves-and-detonation-initiation-in-highly-reactive-and-low-reactive-mixtures-1810.10311"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-chemical-kinetics-on-spontaneous-waves-and-detonation-initiation-in-highly-reactive-and-low-reactive-mixtures-1810.10311"/></url>
<url><loc>https://scifaro.com/en/abs/state-resolved-coarse-grain-cross-sections-for-rovibrational-excitation-and-dissociation-of-nitrogen-based-on-ab-initio-data-for-the-n2-n-system-1810.10447</loc><lastmod>2020-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-resolved-coarse-grain-cross-sections-for-rovibrational-excitation-and-dissociation-of-nitrogen-based-on-ab-initio-data-for-the-n2-n-system-1810.10447"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-resolved-coarse-grain-cross-sections-for-rovibrational-excitation-and-dissociation-of-nitrogen-based-on-ab-initio-data-for-the-n2-n-system-1810.10447"/></url>
<url><loc>https://scifaro.com/en/abs/equation-of-state-of-fluid-methane-from-first-principles-with-machine-learning-potentials-1810.10475</loc><lastmod>2019-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equation-of-state-of-fluid-methane-from-first-principles-with-machine-learning-potentials-1810.10475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equation-of-state-of-fluid-methane-from-first-principles-with-machine-learning-potentials-1810.10475"/></url>
<url><loc>https://scifaro.com/en/abs/pathway-histogram-analysis-of-trajectories-a-general-strategy-for-quantification-of-molecular-mechanisms-1810.10514</loc><lastmod>2018-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pathway-histogram-analysis-of-trajectories-a-general-strategy-for-quantification-of-molecular-mechanisms-1810.10514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pathway-histogram-analysis-of-trajectories-a-general-strategy-for-quantification-of-molecular-mechanisms-1810.10514"/></url>
<url><loc>https://scifaro.com/en/abs/strong-interaction-limit-of-an-adiabatic-connection-in-hartree-fock-theory-1810.11249</loc><lastmod>2019-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-interaction-limit-of-an-adiabatic-connection-in-hartree-fock-theory-1810.11249"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-interaction-limit-of-an-adiabatic-connection-in-hartree-fock-theory-1810.11249"/></url>
<url><loc>https://scifaro.com/en/abs/coupling-of-state-resolved-rovibrational-coarse-grain-model-for-nitrogen-to-stochastic-particle-method-for-simulating-internal-energy-excitation-and-dissociation-1810.11459</loc><lastmod>2018-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupling-of-state-resolved-rovibrational-coarse-grain-model-for-nitrogen-to-stochastic-particle-method-for-simulating-internal-energy-excitation-and-dissociation-1810.11459"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupling-of-state-resolved-rovibrational-coarse-grain-model-for-nitrogen-to-stochastic-particle-method-for-simulating-internal-energy-excitation-and-dissociation-1810.11459"/></url>
<url><loc>https://scifaro.com/en/abs/fully-numerical-hartree-fock-and-density-functional-calculations-i-atoms-1810.11651</loc><lastmod>2019-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fully-numerical-hartree-fock-and-density-functional-calculations-i-atoms-1810.11651"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fully-numerical-hartree-fock-and-density-functional-calculations-i-atoms-1810.11651"/></url>
<url><loc>https://scifaro.com/en/abs/fully-numerical-hartree-fock-and-density-functional-calculations-ii-diatomic-molecules-1810.11653</loc><lastmod>2019-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fully-numerical-hartree-fock-and-density-functional-calculations-ii-diatomic-molecules-1810.11653"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fully-numerical-hartree-fock-and-density-functional-calculations-ii-diatomic-molecules-1810.11653"/></url>
<url><loc>https://scifaro.com/en/abs/an-assessment-of-initial-guesses-for-self-consistent-field-calculations-superposition-of-atomic-potentials-simple-yet-efficient-1810.11659</loc><lastmod>2019-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-assessment-of-initial-guesses-for-self-consistent-field-calculations-superposition-of-atomic-potentials-simple-yet-efficient-1810.11659"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-assessment-of-initial-guesses-for-self-consistent-field-calculations-superposition-of-atomic-potentials-simple-yet-efficient-1810.11659"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-dependence-of-the-solid-liquid-interface-free-energy-of-ni-and-al-from-molecular-dynamics-simulation-of-nucleation-1810.11736</loc><lastmod>2018-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-dependence-of-the-solid-liquid-interface-free-energy-of-ni-and-al-from-molecular-dynamics-simulation-of-nucleation-1810.11736"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-dependence-of-the-solid-liquid-interface-free-energy-of-ni-and-al-from-molecular-dynamics-simulation-of-nucleation-1810.11736"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-embedding-theory-in-the-screened-coulomb-interaction-combining-configuration-interaction-with-gw-bse-1810.12005</loc><lastmod>2019-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-embedding-theory-in-the-screened-coulomb-interaction-combining-configuration-interaction-with-gw-bse-1810.12005"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-embedding-theory-in-the-screened-coulomb-interaction-combining-configuration-interaction-with-gw-bse-1810.12005"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-configuration-interaction-quantum-embedding-that-combines-wave-functions-and-green-s-functions-1810.12009</loc><lastmod>2019-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-configuration-interaction-quantum-embedding-that-combines-wave-functions-and-green-s-functions-1810.12009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-configuration-interaction-quantum-embedding-that-combines-wave-functions-and-green-s-functions-1810.12009"/></url>
<url><loc>https://scifaro.com/en/abs/constant-adiabaticity-rf-pulses-for-generating-long-lived-singlet-spin-states-in-nmr-1810.12697</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/constant-adiabaticity-rf-pulses-for-generating-long-lived-singlet-spin-states-in-nmr-1810.12697"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/constant-adiabaticity-rf-pulses-for-generating-long-lived-singlet-spin-states-in-nmr-1810.12697"/></url>
<url><loc>https://scifaro.com/en/abs/ambient-electro-synthesis-of-ammonia-electrode-porosity-and-composition-engineering-1810.13007</loc><lastmod>2019-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ambient-electro-synthesis-of-ammonia-electrode-porosity-and-composition-engineering-1810.13007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ambient-electro-synthesis-of-ammonia-electrode-porosity-and-composition-engineering-1810.13007"/></url>
<url><loc>https://scifaro.com/en/abs/chemically-accurate-0-0-energies-with-not-so-accurate-excited-state-geometries-1810.13035</loc><lastmod>2019-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemically-accurate-0-0-energies-with-not-so-accurate-excited-state-geometries-1810.13035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemically-accurate-0-0-energies-with-not-so-accurate-excited-state-geometries-1810.13035"/></url>
<url><loc>https://scifaro.com/en/abs/antisymmetrized-geminal-powers-with-larger-chemical-basis-sets-1810.13143</loc><lastmod>2019-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/antisymmetrized-geminal-powers-with-larger-chemical-basis-sets-1810.13143"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/antisymmetrized-geminal-powers-with-larger-chemical-basis-sets-1810.13143"/></url>
<url><loc>https://scifaro.com/en/abs/next-generation-quantum-theory-of-atoms-in-molecules-for-the-ground-and-excited-state-of-the-ring-opening-of-cyclohexadiene-chd-1810.13157</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/next-generation-quantum-theory-of-atoms-in-molecules-for-the-ground-and-excited-state-of-the-ring-opening-of-cyclohexadiene-chd-1810.13157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/next-generation-quantum-theory-of-atoms-in-molecules-for-the-ground-and-excited-state-of-the-ring-opening-of-cyclohexadiene-chd-1810.13157"/></url>
<url><loc>https://scifaro.com/en/abs/using-molecular-dynamics-to-model-the-binding-affinities-of-nitrogen-containing-bisphosphonates-on-hydroxyapatite-surface-1810.13268</loc><lastmod>2018-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-molecular-dynamics-to-model-the-binding-affinities-of-nitrogen-containing-bisphosphonates-on-hydroxyapatite-surface-1810.13268"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-molecular-dynamics-to-model-the-binding-affinities-of-nitrogen-containing-bisphosphonates-on-hydroxyapatite-surface-1810.13268"/></url>
<url><loc>https://scifaro.com/en/abs/concerted-metal-cation-desorption-and-proton-transfer-on-deprotonated-silica-surfaces-1811.00099</loc><lastmod>2018-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/concerted-metal-cation-desorption-and-proton-transfer-on-deprotonated-silica-surfaces-1811.00099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/concerted-metal-cation-desorption-and-proton-transfer-on-deprotonated-silica-surfaces-1811.00099"/></url>
<url><loc>https://scifaro.com/en/abs/compressing-physical-properties-of-atomic-species-for-improving-predictive-chemistry-1811.00123</loc><lastmod>2020-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compressing-physical-properties-of-atomic-species-for-improving-predictive-chemistry-1811.00123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compressing-physical-properties-of-atomic-species-for-improving-predictive-chemistry-1811.00123"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-trajectory-surface-hopping-method-in-the-treatment-of-ultrafast-intersystem-crossing-dynamics-1811.00254</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-trajectory-surface-hopping-method-in-the-treatment-of-ultrafast-intersystem-crossing-dynamics-1811.00254"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-trajectory-surface-hopping-method-in-the-treatment-of-ultrafast-intersystem-crossing-dynamics-1811.00254"/></url>
<url><loc>https://scifaro.com/en/abs/initial-sampling-in-symmetrical-quasiclassical-dynamics-based-on-li-miller-mapping-hamiltonian-1811.00257</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/initial-sampling-in-symmetrical-quasiclassical-dynamics-based-on-li-miller-mapping-hamiltonian-1811.00257"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/initial-sampling-in-symmetrical-quasiclassical-dynamics-based-on-li-miller-mapping-hamiltonian-1811.00257"/></url>
<url><loc>https://scifaro.com/en/abs/automated-selection-of-the-local-potential-for-transferable-pseudopotentials-1811.00959</loc><lastmod>2018-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-selection-of-the-local-potential-for-transferable-pseudopotentials-1811.00959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-selection-of-the-local-potential-for-transferable-pseudopotentials-1811.00959"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-mass-correction-to-the-rovibrational-states-of-molecules-numerical-application-for-the-h-2-molecular-ion-1811.01186</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-mass-correction-to-the-rovibrational-states-of-molecules-numerical-application-for-the-h-2-molecular-ion-1811.01186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-mass-correction-to-the-rovibrational-states-of-molecules-numerical-application-for-the-h-2-molecular-ion-1811.01186"/></url>
<url><loc>https://scifaro.com/en/abs/bound-and-unbound-rovibrational-states-of-the-methane-argon-dimer-1811.01825</loc><lastmod>2019-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bound-and-unbound-rovibrational-states-of-the-methane-argon-dimer-1811.01825"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bound-and-unbound-rovibrational-states-of-the-methane-argon-dimer-1811.01825"/></url>
<url><loc>https://scifaro.com/en/abs/predictive-simulations-of-ionization-energies-of-solvated-halide-ions-with-relativistic-embedded-equation-of-motion-coupled-cluster-theory-1811.01902</loc><lastmod>2019-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predictive-simulations-of-ionization-energies-of-solvated-halide-ions-with-relativistic-embedded-equation-of-motion-coupled-cluster-theory-1811.01902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predictive-simulations-of-ionization-energies-of-solvated-halide-ions-with-relativistic-embedded-equation-of-motion-coupled-cluster-theory-1811.01902"/></url>
<url><loc>https://scifaro.com/en/abs/carbon-monoxide-adsorption-and-carbon-monoxide-oxidation-studies-on-thiolate-supported-gold-nanoclusters-dispensed-on-metallic-oxides-1811.01999</loc><lastmod>2018-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/carbon-monoxide-adsorption-and-carbon-monoxide-oxidation-studies-on-thiolate-supported-gold-nanoclusters-dispensed-on-metallic-oxides-1811.01999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/carbon-monoxide-adsorption-and-carbon-monoxide-oxidation-studies-on-thiolate-supported-gold-nanoclusters-dispensed-on-metallic-oxides-1811.01999"/></url>
<url><loc>https://scifaro.com/en/abs/overlapped-embedded-fragment-stochastic-density-functional-theory-for-covalently-bonded-materials-1811.02107</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/overlapped-embedded-fragment-stochastic-density-functional-theory-for-covalently-bonded-materials-1811.02107"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/overlapped-embedded-fragment-stochastic-density-functional-theory-for-covalently-bonded-materials-1811.02107"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-transformer-a-model-for-uncertainty-calibrated-chemical-reaction-prediction-1811.02633</loc><lastmod>2019-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-transformer-a-model-for-uncertainty-calibrated-chemical-reaction-prediction-1811.02633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-transformer-a-model-for-uncertainty-calibrated-chemical-reaction-prediction-1811.02633"/></url>
<url><loc>https://scifaro.com/en/abs/protein-hydration-waters-are-susceptible-to-unfavorable-perturbations-1811.02678</loc><lastmod>2018-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/protein-hydration-waters-are-susceptible-to-unfavorable-perturbations-1811.02678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/protein-hydration-waters-are-susceptible-to-unfavorable-perturbations-1811.02678"/></url>
<url><loc>https://scifaro.com/en/abs/how-reactant-polarization-can-be-used-to-change-the-effect-of-interference-on-reactive-collisions-1811.03123</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-reactant-polarization-can-be-used-to-change-the-effect-of-interference-on-reactive-collisions-1811.03123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-reactant-polarization-can-be-used-to-change-the-effect-of-interference-on-reactive-collisions-1811.03123"/></url>
<url><loc>https://scifaro.com/en/abs/random-phase-approximation-in-projected-oscillator-orbitals-1811.03544</loc><lastmod>2018-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/random-phase-approximation-in-projected-oscillator-orbitals-1811.03544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/random-phase-approximation-in-projected-oscillator-orbitals-1811.03544"/></url>
<url><loc>https://scifaro.com/en/abs/rutile-tio2-bulk-structural-and-vibrational-properties-a-dft-study-on-the-importance-of-pseudopotentials-1811.03783</loc><lastmod>2018-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rutile-tio2-bulk-structural-and-vibrational-properties-a-dft-study-on-the-importance-of-pseudopotentials-1811.03783"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rutile-tio2-bulk-structural-and-vibrational-properties-a-dft-study-on-the-importance-of-pseudopotentials-1811.03783"/></url>
<url><loc>https://scifaro.com/en/abs/anharmonic-vibrational-eigenfunctions-and-infrared-spectra-from-semiclassical-molecular-dynamics-1811.03833</loc><lastmod>2018-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anharmonic-vibrational-eigenfunctions-and-infrared-spectra-from-semiclassical-molecular-dynamics-1811.03833"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anharmonic-vibrational-eigenfunctions-and-infrared-spectra-from-semiclassical-molecular-dynamics-1811.03833"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-mechanical-insight-into-sn2-reactions-semiclassical-initial-value-representation-calculations-of-vibrational-features-of-the-cl-ch-3-cl-pre-reaction-complex-with-the-venus-suite-of-codes-1811.03834</loc><lastmod>2018-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-mechanical-insight-into-sn2-reactions-semiclassical-initial-value-representation-calculations-of-vibrational-features-of-the-cl-ch-3-cl-pre-reaction-complex-with-the-venus-suite-of-codes-1811.03834"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-mechanical-insight-into-sn2-reactions-semiclassical-initial-value-representation-calculations-of-vibrational-features-of-the-cl-ch-3-cl-pre-reaction-complex-with-the-venus-suite-of-codes-1811.03834"/></url>
<url><loc>https://scifaro.com/en/abs/review-on-multi-scale-models-of-solid-electrolyte-interphase-formation-1811.04667</loc><lastmod>2018-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/review-on-multi-scale-models-of-solid-electrolyte-interphase-formation-1811.04667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/review-on-multi-scale-models-of-solid-electrolyte-interphase-formation-1811.04667"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-study-of-parity-and-time-reversal-violation-in-laser-coolable-triatomic-molecules-1811.05749</loc><lastmod>2020-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-study-of-parity-and-time-reversal-violation-in-laser-coolable-triatomic-molecules-1811.05749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-study-of-parity-and-time-reversal-violation-in-laser-coolable-triatomic-molecules-1811.05749"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemistry-with-coulomb-sturmians-construction-and-convergence-of-coulomb-sturmian-basis-sets-at-hartree-fock-level-1811.05777</loc><lastmod>2019-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemistry-with-coulomb-sturmians-construction-and-convergence-of-coulomb-sturmian-basis-sets-at-hartree-fock-level-1811.05777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemistry-with-coulomb-sturmians-construction-and-convergence-of-coulomb-sturmian-basis-sets-at-hartree-fock-level-1811.05777"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-quantum-transition-state-theory-in-the-golden-rule-limit-i-theory-and-application-to-model-systems-1811.05874</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-quantum-transition-state-theory-in-the-golden-rule-limit-i-theory-and-application-to-model-systems-1811.05874"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-quantum-transition-state-theory-in-the-golden-rule-limit-i-theory-and-application-to-model-systems-1811.05874"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-acoustic-desorption-of-thermally-stable-and-unstable-biomolecules-1811.05925</loc><lastmod>2018-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-acoustic-desorption-of-thermally-stable-and-unstable-biomolecules-1811.05925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-acoustic-desorption-of-thermally-stable-and-unstable-biomolecules-1811.05925"/></url>
<url><loc>https://scifaro.com/en/abs/high-reversibility-of-lattice-oxygen-redox-in-na-ion-and-li-ion-batteries-quantified-by-direct-bulk-probes-of-both-anionic-and-cationic-redox-reactions-1811.05964</loc><lastmod>2019-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-reversibility-of-lattice-oxygen-redox-in-na-ion-and-li-ion-batteries-quantified-by-direct-bulk-probes-of-both-anionic-and-cationic-redox-reactions-1811.05964"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-reversibility-of-lattice-oxygen-redox-in-na-ion-and-li-ion-batteries-quantified-by-direct-bulk-probes-of-both-anionic-and-cationic-redox-reactions-1811.05964"/></url>
<url><loc>https://scifaro.com/en/abs/poisson-boltzmann-equation-with-a-random-field-for-charged-fluids-1811.06334</loc><lastmod>2019-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/poisson-boltzmann-equation-with-a-random-field-for-charged-fluids-1811.06334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/poisson-boltzmann-equation-with-a-random-field-for-charged-fluids-1811.06334"/></url>
<url><loc>https://scifaro.com/en/abs/two-photon-excitation-spectroscopy-of-1-5-diphenyl-1-3-5-hexatriene-using-phase-modulation-1811.07041</loc><lastmod>2018-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-photon-excitation-spectroscopy-of-1-5-diphenyl-1-3-5-hexatriene-using-phase-modulation-1811.07041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-photon-excitation-spectroscopy-of-1-5-diphenyl-1-3-5-hexatriene-using-phase-modulation-1811.07041"/></url>
<url><loc>https://scifaro.com/en/abs/two-phase-change-in-thickness-and-viscoelasticity-of-polyelectrolyte-multilayers-swollen-with-ionic-liquid-solution-1811.07226</loc><lastmod>2018-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-phase-change-in-thickness-and-viscoelasticity-of-polyelectrolyte-multilayers-swollen-with-ionic-liquid-solution-1811.07226"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-phase-change-in-thickness-and-viscoelasticity-of-polyelectrolyte-multilayers-swollen-with-ionic-liquid-solution-1811.07226"/></url>
<url><loc>https://scifaro.com/en/abs/deformation-of-an-inner-valence-molecular-orbital-in-ethanol-by-an-intense-laser-field-1811.07520</loc><lastmod>2018-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deformation-of-an-inner-valence-molecular-orbital-in-ethanol-by-an-intense-laser-field-1811.07520"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deformation-of-an-inner-valence-molecular-orbital-in-ethanol-by-an-intense-laser-field-1811.07520"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-chemical-kinetics-on-detonation-initiating-by-temperature-gradients-in-methane-air-1811.07697</loc><lastmod>2018-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-chemical-kinetics-on-detonation-initiating-by-temperature-gradients-in-methane-air-1811.07697"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-chemical-kinetics-on-detonation-initiating-by-temperature-gradients-in-methane-air-1811.07697"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-structure-elucidation-from-mass-spectrometry-by-matching-substructures-1811.07886</loc><lastmod>2018-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-structure-elucidation-from-mass-spectrometry-by-matching-substructures-1811.07886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-structure-elucidation-from-mass-spectrometry-by-matching-substructures-1811.07886"/></url>
<url><loc>https://scifaro.com/en/abs/additive-atomic-approximation-for-relativistic-effects-a-two-component-hamiltonian-for-molecular-electronic-structure-calculations-1811.08123</loc><lastmod>2019-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/additive-atomic-approximation-for-relativistic-effects-a-two-component-hamiltonian-for-molecular-electronic-structure-calculations-1811.08123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/additive-atomic-approximation-for-relativistic-effects-a-two-component-hamiltonian-for-molecular-electronic-structure-calculations-1811.08123"/></url>
<url><loc>https://scifaro.com/en/abs/combining-pseudopotential-and-all-electron-density-functional-theory-for-the-efficient-calculation-of-core-spectra-using-a-multiresolution-approach-1811.08397</loc><lastmod>2019-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-pseudopotential-and-all-electron-density-functional-theory-for-the-efficient-calculation-of-core-spectra-using-a-multiresolution-approach-1811.08397"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-pseudopotential-and-all-electron-density-functional-theory-for-the-efficient-calculation-of-core-spectra-using-a-multiresolution-approach-1811.08397"/></url>
<url><loc>https://scifaro.com/en/abs/rapid-prediction-of-electron-ionization-mass-spectrometry-using-neural-networks-1811.08545</loc><lastmod>2019-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rapid-prediction-of-electron-ionization-mass-spectrometry-using-neural-networks-1811.08545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rapid-prediction-of-electron-ionization-mass-spectrometry-using-neural-networks-1811.08545"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-identity-of-the-identity-operator-in-nonadiabatic-linearized-semiclassical-dynamics-1811.08830</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-identity-of-the-identity-operator-in-nonadiabatic-linearized-semiclassical-dynamics-1811.08830"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-identity-of-the-identity-operator-in-nonadiabatic-linearized-semiclassical-dynamics-1811.08830"/></url>
<url><loc>https://scifaro.com/en/abs/a-comprehensive-self-contained-derivation-of-the-one-body-density-matrices-from-single-reference-excited-state-calculation-methods-using-the-equation-of-motion-formalism-1811.08849</loc><lastmod>2021-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comprehensive-self-contained-derivation-of-the-one-body-density-matrices-from-single-reference-excited-state-calculation-methods-using-the-equation-of-motion-formalism-1811.08849"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comprehensive-self-contained-derivation-of-the-one-body-density-matrices-from-single-reference-excited-state-calculation-methods-using-the-equation-of-motion-formalism-1811.08849"/></url>
<url><loc>https://scifaro.com/en/abs/the-principle-underlying-antiaromaticity-1811.08959</loc><lastmod>2020-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-principle-underlying-antiaromaticity-1811.08959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-principle-underlying-antiaromaticity-1811.08959"/></url>
<url><loc>https://scifaro.com/en/abs/physical-chemistry-of-charged-interfaces-multiscale-modelling-and-applications-to-energy-1811.09095</loc><lastmod>2018-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physical-chemistry-of-charged-interfaces-multiscale-modelling-and-applications-to-energy-1811.09095"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physical-chemistry-of-charged-interfaces-multiscale-modelling-and-applications-to-energy-1811.09095"/></url>
<url><loc>https://scifaro.com/en/abs/charge-storage-in-nanoporous-carbons-the-molecular-origin-of-supercapacitance-1811.09097</loc><lastmod>2018-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-storage-in-nanoporous-carbons-the-molecular-origin-of-supercapacitance-1811.09097"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-storage-in-nanoporous-carbons-the-molecular-origin-of-supercapacitance-1811.09097"/></url>
<url><loc>https://scifaro.com/en/abs/towards-more-efficient-supercapacitors-when-experiments-and-simulations-uncover-the-mechanisms-on-the-nanometer-scale-1811.09099</loc><lastmod>2018-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-more-efficient-supercapacitors-when-experiments-and-simulations-uncover-the-mechanisms-on-the-nanometer-scale-1811.09099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-more-efficient-supercapacitors-when-experiments-and-simulations-uncover-the-mechanisms-on-the-nanometer-scale-1811.09099"/></url>
<url><loc>https://scifaro.com/en/abs/bound-and-field-programs-for-calculating-bound-states-of-interacting-pairs-of-atoms-and-molecules-1811.09111</loc><lastmod>2019-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bound-and-field-programs-for-calculating-bound-states-of-interacting-pairs-of-atoms-and-molecules-1811.09111"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bound-and-field-programs-for-calculating-bound-states-of-interacting-pairs-of-atoms-and-molecules-1811.09111"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-enables-long-time-scale-molecular-photodynamics-simulations-1811.09112</loc><lastmod>2021-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-enables-long-time-scale-molecular-photodynamics-simulations-1811.09112"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-enables-long-time-scale-molecular-photodynamics-simulations-1811.09112"/></url>
<url><loc>https://scifaro.com/en/abs/complex-adiabatic-connection-a-hidden-non-hermitian-path-from-ground-to-excited-states-1811.09164</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complex-adiabatic-connection-a-hidden-non-hermitian-path-from-ground-to-excited-states-1811.09164"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complex-adiabatic-connection-a-hidden-non-hermitian-path-from-ground-to-excited-states-1811.09164"/></url>
<url><loc>https://scifaro.com/en/abs/adsorption-of-polyelectrolytes-onto-the-oppositely-charged-surface-of-tubular-j-aggregates-of-a-cyanine-dye-1811.09270</loc><lastmod>2018-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adsorption-of-polyelectrolytes-onto-the-oppositely-charged-surface-of-tubular-j-aggregates-of-a-cyanine-dye-1811.09270"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adsorption-of-polyelectrolytes-onto-the-oppositely-charged-surface-of-tubular-j-aggregates-of-a-cyanine-dye-1811.09270"/></url>
<url><loc>https://scifaro.com/en/abs/molscat-a-program-for-non-reactive-quantum-scattering-calculations-on-atomic-and-molecular-collisions-1811.09584</loc><lastmod>2019-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molscat-a-program-for-non-reactive-quantum-scattering-calculations-on-atomic-and-molecular-collisions-1811.09584"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molscat-a-program-for-non-reactive-quantum-scattering-calculations-on-atomic-and-molecular-collisions-1811.09584"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-evaluation-of-time-resolved-electronic-spectra-1811.09585</loc><lastmod>2019-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-evaluation-of-time-resolved-electronic-spectra-1811.09585"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-evaluation-of-time-resolved-electronic-spectra-1811.09585"/></url>
<url><loc>https://scifaro.com/en/abs/relaxation-augmented-free-energy-perturbation-1811.09707</loc><lastmod>2019-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relaxation-augmented-free-energy-perturbation-1811.09707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relaxation-augmented-free-energy-perturbation-1811.09707"/></url>
<url><loc>https://scifaro.com/en/abs/nonequilibrium-vibrational-population-and-donor-acceptor-vibrations-affecting-rates-of-radiationless-transitions-1811.09945</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonequilibrium-vibrational-population-and-donor-acceptor-vibrations-affecting-rates-of-radiationless-transitions-1811.09945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonequilibrium-vibrational-population-and-donor-acceptor-vibrations-affecting-rates-of-radiationless-transitions-1811.09945"/></url>
<url><loc>https://scifaro.com/en/abs/x-ray-diffraction-and-computer-simulation-studies-of-the-structure-of-liquid-aliphatic-aldehydes-from-propanal-to-nonanal-1811.10299</loc><lastmod>2018-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/x-ray-diffraction-and-computer-simulation-studies-of-the-structure-of-liquid-aliphatic-aldehydes-from-propanal-to-nonanal-1811.10299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/x-ray-diffraction-and-computer-simulation-studies-of-the-structure-of-liquid-aliphatic-aldehydes-from-propanal-to-nonanal-1811.10299"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-boxed-molecular-kinetics-approach-to-accelerate-rare-events-in-the-stochastic-kinetic-master-equation-1811.10324</loc><lastmod>2018-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-boxed-molecular-kinetics-approach-to-accelerate-rare-events-in-the-stochastic-kinetic-master-equation-1811.10324"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-boxed-molecular-kinetics-approach-to-accelerate-rare-events-in-the-stochastic-kinetic-master-equation-1811.10324"/></url>
<url><loc>https://scifaro.com/en/abs/unexpected-composition-dependence-of-the-first-sharp-diffraction-peak-in-an-alcohol-aldehyde-liquid-mixture-n-pentanol-and-pentanal-1811.10332</loc><lastmod>2018-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unexpected-composition-dependence-of-the-first-sharp-diffraction-peak-in-an-alcohol-aldehyde-liquid-mixture-n-pentanol-and-pentanal-1811.10332"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unexpected-composition-dependence-of-the-first-sharp-diffraction-peak-in-an-alcohol-aldehyde-liquid-mixture-n-pentanol-and-pentanal-1811.10332"/></url>
<url><loc>https://scifaro.com/en/abs/local-order-in-binary-ge-te-glasses-an-experimental-study-1811.10341</loc><lastmod>2018-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-order-in-binary-ge-te-glasses-an-experimental-study-1811.10341"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-order-in-binary-ge-te-glasses-an-experimental-study-1811.10341"/></url>
<url><loc>https://scifaro.com/en/abs/adaptively-accelerating-reactive-molecular-dynamics-using-boxed-molecular-dynamics-in-energy-space-1811.10351</loc><lastmod>2018-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adaptively-accelerating-reactive-molecular-dynamics-using-boxed-molecular-dynamics-in-energy-space-1811.10351"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adaptively-accelerating-reactive-molecular-dynamics-using-boxed-molecular-dynamics-in-energy-space-1811.10351"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-the-metals-and-ligands-in-dinuclear-complexes-on-phosphopeptide-sequencing-by-electron-transfer-dissociation-tandem-mass-spectrometry-1811.10445</loc><lastmod>2018-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-the-metals-and-ligands-in-dinuclear-complexes-on-phosphopeptide-sequencing-by-electron-transfer-dissociation-tandem-mass-spectrometry-1811.10445"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-the-metals-and-ligands-in-dinuclear-complexes-on-phosphopeptide-sequencing-by-electron-transfer-dissociation-tandem-mass-spectrometry-1811.10445"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-experimental-and-theoretical-study-of-uranyl-vi-in-an-aqueous-system-molecular-modelling-meets-environmental-protection-1811.10456</loc><lastmod>2018-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-experimental-and-theoretical-study-of-uranyl-vi-in-an-aqueous-system-molecular-modelling-meets-environmental-protection-1811.10456"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-experimental-and-theoretical-study-of-uranyl-vi-in-an-aqueous-system-molecular-modelling-meets-environmental-protection-1811.10456"/></url>
<url><loc>https://scifaro.com/en/abs/charge-separation-from-the-topology-of-molecular-electronic-transitions-to-the-dye-semiconductor-interfacial-energetics-and-kinetics-1811.10526</loc><lastmod>2019-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-separation-from-the-topology-of-molecular-electronic-transitions-to-the-dye-semiconductor-interfacial-energetics-and-kinetics-1811.10526"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-separation-from-the-topology-of-molecular-electronic-transitions-to-the-dye-semiconductor-interfacial-energetics-and-kinetics-1811.10526"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-insights-into-the-topology-of-molecular-excitons-from-single-reference-excited-states-calculation-methods-1811.10536</loc><lastmod>2018-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-insights-into-the-topology-of-molecular-excitons-from-single-reference-excited-states-calculation-methods-1811.10536"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-insights-into-the-topology-of-molecular-excitons-from-single-reference-excited-states-calculation-methods-1811.10536"/></url>
<url><loc>https://scifaro.com/en/abs/universal-probability-distributions-of-scattering-observables-in-ultracold-molecular-collisions-1811.10663</loc><lastmod>2019-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-probability-distributions-of-scattering-observables-in-ultracold-molecular-collisions-1811.10663"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-probability-distributions-of-scattering-observables-in-ultracold-molecular-collisions-1811.10663"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-of-transient-absorption-spectra-in-exciton-charge-transfer-systems-1811.10683</loc><lastmod>2018-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-of-transient-absorption-spectra-in-exciton-charge-transfer-systems-1811.10683"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-of-transient-absorption-spectra-in-exciton-charge-transfer-systems-1811.10683"/></url>
<url><loc>https://scifaro.com/en/abs/anharmonic-molecular-mechanics-ab-initio-based-morse-parameterisations-for-the-popular-mm3-force-field-1811.10956</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anharmonic-molecular-mechanics-ab-initio-based-morse-parameterisations-for-the-popular-mm3-force-field-1811.10956"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anharmonic-molecular-mechanics-ab-initio-based-morse-parameterisations-for-the-popular-mm3-force-field-1811.10956"/></url>
<url><loc>https://scifaro.com/en/abs/continuum-limit-and-preconditioned-langevin-sampling-of-the-path-integral-molecular-dynamics-1811.10995</loc><lastmod>2020-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuum-limit-and-preconditioned-langevin-sampling-of-the-path-integral-molecular-dynamics-1811.10995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuum-limit-and-preconditioned-langevin-sampling-of-the-path-integral-molecular-dynamics-1811.10995"/></url>
<url><loc>https://scifaro.com/en/abs/structures-and-anomalies-of-water-1811.11234</loc><lastmod>2018-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structures-and-anomalies-of-water-1811.11234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structures-and-anomalies-of-water-1811.11234"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-influence-of-dynamic-disorder-on-transport-gap-in-solid-pentacene-1811.11292</loc><lastmod>2018-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-influence-of-dynamic-disorder-on-transport-gap-in-solid-pentacene-1811.11292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-influence-of-dynamic-disorder-on-transport-gap-in-solid-pentacene-1811.11292"/></url>
<url><loc>https://scifaro.com/en/abs/homogeneous-nucleation-mechanism-of-nacl-in-aqueous-solutions-1811.11416</loc><lastmod>2018-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/homogeneous-nucleation-mechanism-of-nacl-in-aqueous-solutions-1811.11416"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/homogeneous-nucleation-mechanism-of-nacl-in-aqueous-solutions-1811.11416"/></url>
<url><loc>https://scifaro.com/en/abs/phonon-abundance-stiffness-lifetime-transition-from-the-mode-of-heavy-water-to-its-confinement-and-hydration-1811.11825</loc><lastmod>2018-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phonon-abundance-stiffness-lifetime-transition-from-the-mode-of-heavy-water-to-its-confinement-and-hydration-1811.11825"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phonon-abundance-stiffness-lifetime-transition-from-the-mode-of-heavy-water-to-its-confinement-and-hydration-1811.11825"/></url>
<url><loc>https://scifaro.com/en/abs/perspective-supersolidity-of-the-confined-and-the-hydrating-water-1811.11826</loc><lastmod>2018-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perspective-supersolidity-of-the-confined-and-the-hydrating-water-1811.11826"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perspective-supersolidity-of-the-confined-and-the-hydrating-water-1811.11826"/></url>
<url><loc>https://scifaro.com/en/abs/h-li-br-and-lioh-solvation-bonding-dynamics-molecular-nonbond-interactions-and-solute-extraordinary-capabilities-1811.11827</loc><lastmod>2018-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/h-li-br-and-lioh-solvation-bonding-dynamics-molecular-nonbond-interactions-and-solute-extraordinary-capabilities-1811.11827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/h-li-br-and-lioh-solvation-bonding-dynamics-molecular-nonbond-interactions-and-solute-extraordinary-capabilities-1811.11827"/></url>
<url><loc>https://scifaro.com/en/abs/formic-acid-decomposition-using-synthesized-ag-tio2-nanocomposite-in-ethanol-water-media-under-illumination-of-near-uv-light-1811.12508</loc><lastmod>2018-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formic-acid-decomposition-using-synthesized-ag-tio2-nanocomposite-in-ethanol-water-media-under-illumination-of-near-uv-light-1811.12508"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formic-acid-decomposition-using-synthesized-ag-tio2-nanocomposite-in-ethanol-water-media-under-illumination-of-near-uv-light-1811.12508"/></url>
<url><loc>https://scifaro.com/en/abs/identification-of-kinetic-order-parameters-for-non-equilibrium-dynamics-1811.12551</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-of-kinetic-order-parameters-for-non-equilibrium-dynamics-1811.12551"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-of-kinetic-order-parameters-for-non-equilibrium-dynamics-1811.12551"/></url>
<url><loc>https://scifaro.com/en/abs/dynamically-switching-the-surface-electronic-and-electrostatic-properties-of-indium-tin-oxide-electrodes-with-photochromic-monolayers-1811.12741</loc><lastmod>2018-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamically-switching-the-surface-electronic-and-electrostatic-properties-of-indium-tin-oxide-electrodes-with-photochromic-monolayers-1811.12741"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamically-switching-the-surface-electronic-and-electrostatic-properties-of-indium-tin-oxide-electrodes-with-photochromic-monolayers-1811.12741"/></url>
<url><loc>https://scifaro.com/en/abs/reference-energies-for-double-excitations-1811.12861</loc><lastmod>2019-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reference-energies-for-double-excitations-1811.12861"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reference-energies-for-double-excitations-1811.12861"/></url>
<url><loc>https://scifaro.com/en/abs/abnormal-ionic-current-rectification-caused-by-reversed-electroosmotic-flow-under-viscosity-gradients-across-thin-nanopores-1811.12878</loc><lastmod>2018-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/abnormal-ionic-current-rectification-caused-by-reversed-electroosmotic-flow-under-viscosity-gradients-across-thin-nanopores-1811.12878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/abnormal-ionic-current-rectification-caused-by-reversed-electroosmotic-flow-under-viscosity-gradients-across-thin-nanopores-1811.12878"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-algorithm-for-cholesky-decomposition-of-electron-repulsion-integrals-1811.12890</loc><lastmod>2019-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-algorithm-for-cholesky-decomposition-of-electron-repulsion-integrals-1811.12890"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-algorithm-for-cholesky-decomposition-of-electron-repulsion-integrals-1811.12890"/></url>
<url><loc>https://scifaro.com/en/abs/multi-set-matrix-product-state-calculations-reveal-mobile-franck-condon-excitations-under-strong-holstein-type-coupling-1812.00011</loc><lastmod>2019-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-set-matrix-product-state-calculations-reveal-mobile-franck-condon-excitations-under-strong-holstein-type-coupling-1812.00011"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-set-matrix-product-state-calculations-reveal-mobile-franck-condon-excitations-under-strong-holstein-type-coupling-1812.00011"/></url>
<url><loc>https://scifaro.com/en/abs/differential-capacitance-of-ionic-liquids-according-to-lattice-gas-mean-field-model-with-nearest-neighbor-interactions-1812.00077</loc><lastmod>2018-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/differential-capacitance-of-ionic-liquids-according-to-lattice-gas-mean-field-model-with-nearest-neighbor-interactions-1812.00077"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/differential-capacitance-of-ionic-liquids-according-to-lattice-gas-mean-field-model-with-nearest-neighbor-interactions-1812.00077"/></url>
<url><loc>https://scifaro.com/en/abs/quantitative-quantum-mechanical-approach-to-sabre-hyperpolarization-at-high-magnetic-fields-1812.00206</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantitative-quantum-mechanical-approach-to-sabre-hyperpolarization-at-high-magnetic-fields-1812.00206"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantitative-quantum-mechanical-approach-to-sabre-hyperpolarization-at-high-magnetic-fields-1812.00206"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-dihalogens-in-solid-matrices-i-efficient-simulation-of-the-photodynamics-of-the-embedded-mathrm-i-2-kr-18-cluster-using-the-g-mctdh-method-1812.00227</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-dihalogens-in-solid-matrices-i-efficient-simulation-of-the-photodynamics-of-the-embedded-mathrm-i-2-kr-18-cluster-using-the-g-mctdh-method-1812.00227"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-dihalogens-in-solid-matrices-i-efficient-simulation-of-the-photodynamics-of-the-embedded-mathrm-i-2-kr-18-cluster-using-the-g-mctdh-method-1812.00227"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-dihalogens-in-solid-matrices-ii-theoretical-aspects-and-g-mctdh-simulations-of-time-resolved-coherent-raman-spectra-of-schr-odinger-cat-states-of-the-embedded-mathrm-i-2-kr-18-cluster-1812.00229</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-dihalogens-in-solid-matrices-ii-theoretical-aspects-and-g-mctdh-simulations-of-time-resolved-coherent-raman-spectra-of-schr-odinger-cat-states-of-the-embedded-mathrm-i-2-kr-18-cluster-1812.00229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamics-and-spectroscopy-of-dihalogens-in-solid-matrices-ii-theoretical-aspects-and-g-mctdh-simulations-of-time-resolved-coherent-raman-spectra-of-schr-odinger-cat-states-of-the-embedded-mathrm-i-2-kr-18-cluster-1812.00229"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-theory-of-finite-size-effects-in-supercell-modelings-of-charged-interfaces-1812.00295</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-theory-of-finite-size-effects-in-supercell-modelings-of-charged-interfaces-1812.00295"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-theory-of-finite-size-effects-in-supercell-modelings-of-charged-interfaces-1812.00295"/></url>
<url><loc>https://scifaro.com/en/abs/electron-collisions-with-cyanoacetylene-hcccn-vibrational-excitation-and-dissociative-electron-attachment-1812.00633</loc><lastmod>2018-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-collisions-with-cyanoacetylene-hcccn-vibrational-excitation-and-dissociative-electron-attachment-1812.00633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-collisions-with-cyanoacetylene-hcccn-vibrational-excitation-and-dissociative-electron-attachment-1812.00633"/></url>
<url><loc>https://scifaro.com/en/abs/review-multifield-mediation-of-the-hydrogen-bonding-network-and-properties-of-the-deionized-water-and-the-monovalent-lewis-hofmeister-solutions-1812.00744</loc><lastmod>2018-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/review-multifield-mediation-of-the-hydrogen-bonding-network-and-properties-of-the-deionized-water-and-the-monovalent-lewis-hofmeister-solutions-1812.00744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/review-multifield-mediation-of-the-hydrogen-bonding-network-and-properties-of-the-deionized-water-and-the-monovalent-lewis-hofmeister-solutions-1812.00744"/></url>
<url><loc>https://scifaro.com/en/abs/ground-state-correlation-energy-of-beryllium-dimer-by-the-bethe-salpeter-equation-1812.00932</loc><lastmod>2020-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ground-state-correlation-energy-of-beryllium-dimer-by-the-bethe-salpeter-equation-1812.00932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ground-state-correlation-energy-of-beryllium-dimer-by-the-bethe-salpeter-equation-1812.00932"/></url>
<url><loc>https://scifaro.com/en/abs/heat-transfer-statistics-in-mixed-quantum-classical-systems-1812.01064</loc><lastmod>2018-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heat-transfer-statistics-in-mixed-quantum-classical-systems-1812.01064"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heat-transfer-statistics-in-mixed-quantum-classical-systems-1812.01064"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-adiabatic-calorimetry-of-supercooled-water-1812.01085</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-adiabatic-calorimetry-of-supercooled-water-1812.01085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-adiabatic-calorimetry-of-supercooled-water-1812.01085"/></url>
<url><loc>https://scifaro.com/en/abs/uncertainty-quantification-in-first-principles-predictions-of-harmonic-vibrational-frequencies-of-molecules-and-molecular-complexes-1812.01145</loc><lastmod>2019-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncertainty-quantification-in-first-principles-predictions-of-harmonic-vibrational-frequencies-of-molecules-and-molecular-complexes-1812.01145"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncertainty-quantification-in-first-principles-predictions-of-harmonic-vibrational-frequencies-of-molecules-and-molecular-complexes-1812.01145"/></url>
<url><loc>https://scifaro.com/en/abs/design-of-nnh3n-1-series-of-non-metallic-superalkali-cations-1812.01215</loc><lastmod>2018-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/design-of-nnh3n-1-series-of-non-metallic-superalkali-cations-1812.01215"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/design-of-nnh3n-1-series-of-non-metallic-superalkali-cations-1812.01215"/></url>
<url><loc>https://scifaro.com/en/abs/nucleation-rates-of-water-using-adjusted-saft-0-eos-1812.01744</loc><lastmod>2019-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nucleation-rates-of-water-using-adjusted-saft-0-eos-1812.01744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nucleation-rates-of-water-using-adjusted-saft-0-eos-1812.01744"/></url>
<url><loc>https://scifaro.com/en/abs/reducing-bias-in-the-analysis-of-solution-state-nmr-data-with-dynamics-detectors-1812.01890</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reducing-bias-in-the-analysis-of-solution-state-nmr-data-with-dynamics-detectors-1812.01890"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reducing-bias-in-the-analysis-of-solution-state-nmr-data-with-dynamics-detectors-1812.01890"/></url>
<url><loc>https://scifaro.com/en/abs/multireference-stochastic-coupled-cluster-1812.01898</loc><lastmod>2020-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multireference-stochastic-coupled-cluster-1812.01898"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multireference-stochastic-coupled-cluster-1812.01898"/></url>
<url><loc>https://scifaro.com/en/abs/four-component-relativistic-range-separated-density-functional-theory-short-range-exchange-local-density-approximation-1812.02024</loc><lastmod>2018-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/four-component-relativistic-range-separated-density-functional-theory-short-range-exchange-local-density-approximation-1812.02024"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/four-component-relativistic-range-separated-density-functional-theory-short-range-exchange-local-density-approximation-1812.02024"/></url>
<url><loc>https://scifaro.com/en/abs/ice-is-born-in-low-mobility-regions-of-supercooled-liquid-water-1812.02266</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ice-is-born-in-low-mobility-regions-of-supercooled-liquid-water-1812.02266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ice-is-born-in-low-mobility-regions-of-supercooled-liquid-water-1812.02266"/></url>
<url><loc>https://scifaro.com/en/abs/ground-and-excited-energy-levels-can-be-extracted-exactly-from-a-single-ensemble-density-functional-theory-calculation-1812.02461</loc><lastmod>2019-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ground-and-excited-energy-levels-can-be-extracted-exactly-from-a-single-ensemble-density-functional-theory-calculation-1812.02461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ground-and-excited-energy-levels-can-be-extracted-exactly-from-a-single-ensemble-density-functional-theory-calculation-1812.02461"/></url>
<url><loc>https://scifaro.com/en/abs/on-rotational-vibrational-spectrum-of-diatomic-beryllium-molecule-1812.02697</loc><lastmod>2018-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-rotational-vibrational-spectrum-of-diatomic-beryllium-molecule-1812.02697"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-rotational-vibrational-spectrum-of-diatomic-beryllium-molecule-1812.02697"/></url>
<url><loc>https://scifaro.com/en/abs/coarse-graining-auto-encoders-for-molecular-dynamics-1812.02706</loc><lastmod>2020-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coarse-graining-auto-encoders-for-molecular-dynamics-1812.02706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coarse-graining-auto-encoders-for-molecular-dynamics-1812.02706"/></url>
<url><loc>https://scifaro.com/en/abs/nucleation-in-aqueous-nacl-solutions-shifts-from-1-step-to-2-step-mechanism-on-crossing-the-spinodal-1812.02892</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nucleation-in-aqueous-nacl-solutions-shifts-from-1-step-to-2-step-mechanism-on-crossing-the-spinodal-1812.02892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nucleation-in-aqueous-nacl-solutions-shifts-from-1-step-to-2-step-mechanism-on-crossing-the-spinodal-1812.02892"/></url>
<url><loc>https://scifaro.com/en/abs/a-thermodynamic-model-for-the-o-2-mobility-in-ne-gas-in-broad-density-and-temperature-ranges-1812.03032</loc><lastmod>2019-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-thermodynamic-model-for-the-o-2-mobility-in-ne-gas-in-broad-density-and-temperature-ranges-1812.03032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-thermodynamic-model-for-the-o-2-mobility-in-ne-gas-in-broad-density-and-temperature-ranges-1812.03032"/></url>
<url><loc>https://scifaro.com/en/abs/bond-counting-potentials-a-classical-many-body-model-of-covalent-bonding-with-exact-solutions-in-one-dimension-1812.03196</loc><lastmod>2021-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bond-counting-potentials-a-classical-many-body-model-of-covalent-bonding-with-exact-solutions-in-one-dimension-1812.03196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bond-counting-potentials-a-classical-many-body-model-of-covalent-bonding-with-exact-solutions-in-one-dimension-1812.03196"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-a-new-parameter-optimization-scheme-for-a-reactive-force-field-reaxff-based-on-a-machine-learning-approach-1812.03256</loc><lastmod>2018-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-a-new-parameter-optimization-scheme-for-a-reactive-force-field-reaxff-based-on-a-machine-learning-approach-1812.03256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-a-new-parameter-optimization-scheme-for-a-reactive-force-field-reaxff-based-on-a-machine-learning-approach-1812.03256"/></url>
<url><loc>https://scifaro.com/en/abs/identifying-the-mechanism-of-continued-growth-of-the-solid-electrolyte-interphase-1812.03841</loc><lastmod>2018-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identifying-the-mechanism-of-continued-growth-of-the-solid-electrolyte-interphase-1812.03841"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identifying-the-mechanism-of-continued-growth-of-the-solid-electrolyte-interphase-1812.03841"/></url>
<url><loc>https://scifaro.com/en/abs/homocoupling-defects-in-a-conjugated-polymer-limit-exciton-diffusion-1812.03885</loc><lastmod>2019-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/homocoupling-defects-in-a-conjugated-polymer-limit-exciton-diffusion-1812.03885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/homocoupling-defects-in-a-conjugated-polymer-limit-exciton-diffusion-1812.03885"/></url>
<url><loc>https://scifaro.com/en/abs/symplectic-integration-and-physical-interpretation-of-time-dependent-coupled-cluster-theory-1812.04393</loc><lastmod>2019-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symplectic-integration-and-physical-interpretation-of-time-dependent-coupled-cluster-theory-1812.04393"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symplectic-integration-and-physical-interpretation-of-time-dependent-coupled-cluster-theory-1812.04393"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-evaluation-of-absorption-spectra-of-polyatomic-molecules-beyond-the-condon-approximation-1812.04400</loc><lastmod>2018-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-evaluation-of-absorption-spectra-of-polyatomic-molecules-beyond-the-condon-approximation-1812.04400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-evaluation-of-absorption-spectra-of-polyatomic-molecules-beyond-the-condon-approximation-1812.04400"/></url>
<url><loc>https://scifaro.com/en/abs/correlations-from-ion-pairing-and-the-nernst-einstein-equation-1812.04772</loc><lastmod>2019-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlations-from-ion-pairing-and-the-nernst-einstein-equation-1812.04772"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlations-from-ion-pairing-and-the-nernst-einstein-equation-1812.04772"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-stability-and-structural-insights-for-ch-3-nh-3-pb-1-x-si-x-i-3-ch-3-nh-3-pb-1-x-ge-x-i-3-and-ch-3-nh-3-pb-1-x-sn-x-i-3-hybrid-perovskite-alloys-a-statistical-approach-from-first-principles-calculations-1812.05150</loc><lastmod>2018-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-stability-and-structural-insights-for-ch-3-nh-3-pb-1-x-si-x-i-3-ch-3-nh-3-pb-1-x-ge-x-i-3-and-ch-3-nh-3-pb-1-x-sn-x-i-3-hybrid-perovskite-alloys-a-statistical-approach-from-first-principles-calculations-1812.05150"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-stability-and-structural-insights-for-ch-3-nh-3-pb-1-x-si-x-i-3-ch-3-nh-3-pb-1-x-ge-x-i-3-and-ch-3-nh-3-pb-1-x-sn-x-i-3-hybrid-perovskite-alloys-a-statistical-approach-from-first-principles-calculations-1812.05150"/></url>
<url><loc>https://scifaro.com/en/abs/distinguishing-artificial-and-essential-symmetry-breaking-in-a-single-determinant-approach-and-application-to-the-c-60-c-36-and-c-20-fullerenes-1812.05266</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/distinguishing-artificial-and-essential-symmetry-breaking-in-a-single-determinant-approach-and-application-to-the-c-60-c-36-and-c-20-fullerenes-1812.05266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/distinguishing-artificial-and-essential-symmetry-breaking-in-a-single-determinant-approach-and-application-to-the-c-60-c-36-and-c-20-fullerenes-1812.05266"/></url>
<url><loc>https://scifaro.com/en/abs/zero-phonon-lines-in-the-spectra-of-dysprosium-atoms-in-superfluid-helium-1812.05275</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zero-phonon-lines-in-the-spectra-of-dysprosium-atoms-in-superfluid-helium-1812.05275"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zero-phonon-lines-in-the-spectra-of-dysprosium-atoms-in-superfluid-helium-1812.05275"/></url>
<url><loc>https://scifaro.com/en/abs/a-global-potential-energy-surface-for-h-3-1812.06035</loc><lastmod>2018-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-global-potential-energy-surface-for-h-3-1812.06035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-global-potential-energy-surface-for-h-3-1812.06035"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-hf-exchange-evaluation-through-fourier-convolution-in-cartesian-grid-for-orbital-dependent-density-functionals-1812.06114</loc><lastmod>2019-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-hf-exchange-evaluation-through-fourier-convolution-in-cartesian-grid-for-orbital-dependent-density-functionals-1812.06114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-hf-exchange-evaluation-through-fourier-convolution-in-cartesian-grid-for-orbital-dependent-density-functionals-1812.06114"/></url>
<url><loc>https://scifaro.com/en/abs/automated-context-free-assignment-of-asymmetric-rotor-microwave-spectra-1812.06221</loc><lastmod>2019-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-context-free-assignment-of-asymmetric-rotor-microwave-spectra-1812.06221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-context-free-assignment-of-asymmetric-rotor-microwave-spectra-1812.06221"/></url>
<url><loc>https://scifaro.com/en/abs/fully-numerical-electronic-structure-calculations-on-diatomic-molecules-in-weak-to-strong-magnetic-fields-1812.06274</loc><lastmod>2020-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fully-numerical-electronic-structure-calculations-on-diatomic-molecules-in-weak-to-strong-magnetic-fields-1812.06274"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fully-numerical-electronic-structure-calculations-on-diatomic-molecules-in-weak-to-strong-magnetic-fields-1812.06274"/></url>
<url><loc>https://scifaro.com/en/abs/feynman-diagram-description-of-2d-raman-thz-spectroscopy-applied-to-water-1812.06742</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/feynman-diagram-description-of-2d-raman-thz-spectroscopy-applied-to-water-1812.06742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/feynman-diagram-description-of-2d-raman-thz-spectroscopy-applied-to-water-1812.06742"/></url>
<url><loc>https://scifaro.com/en/abs/spin-adapted-selected-configuration-interaction-in-a-determinant-basis-1812.06902</loc><lastmod>2021-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-adapted-selected-configuration-interaction-in-a-determinant-basis-1812.06902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-adapted-selected-configuration-interaction-in-a-determinant-basis-1812.06902"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-interactions-dominate-the-inverse-temperature-dependence-of-polypeptide-hydration-free-energies-1812.06913</loc><lastmod>2019-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-interactions-dominate-the-inverse-temperature-dependence-of-polypeptide-hydration-free-energies-1812.06913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-interactions-dominate-the-inverse-temperature-dependence-of-polypeptide-hydration-free-energies-1812.06913"/></url>
<url><loc>https://scifaro.com/en/abs/converging-finite-temperature-many-body-perturbation-theory-that-conserves-the-average-number-of-electrons-1812.07088</loc><lastmod>2019-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/converging-finite-temperature-many-body-perturbation-theory-that-conserves-the-average-number-of-electrons-1812.07088"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/converging-finite-temperature-many-body-perturbation-theory-that-conserves-the-average-number-of-electrons-1812.07088"/></url>
<url><loc>https://scifaro.com/en/abs/two-dimensional-ca-cl-crystals-under-ambient-conditions-observed-directly-by-cryo-electron-microscopy-1812.07195</loc><lastmod>2018-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-ca-cl-crystals-under-ambient-conditions-observed-directly-by-cryo-electron-microscopy-1812.07195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-ca-cl-crystals-under-ambient-conditions-observed-directly-by-cryo-electron-microscopy-1812.07195"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-molecular-spectroscopy-using-a-hollow-core-photonic-crystal-fibre-light-source-1812.07409</loc><lastmod>2018-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-molecular-spectroscopy-using-a-hollow-core-photonic-crystal-fibre-light-source-1812.07409"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-molecular-spectroscopy-using-a-hollow-core-photonic-crystal-fibre-light-source-1812.07409"/></url>
<url><loc>https://scifaro.com/en/abs/anticipating-acene-based-chromophore-spectra-with-molecular-orbital-arguments-1812.07648</loc><lastmod>2019-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anticipating-acene-based-chromophore-spectra-with-molecular-orbital-arguments-1812.07648"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anticipating-acene-based-chromophore-spectra-with-molecular-orbital-arguments-1812.07648"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-for-molecular-dynamics-on-long-timescales-1812.07669</loc><lastmod>2018-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-for-molecular-dynamics-on-long-timescales-1812.07669"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-for-molecular-dynamics-on-long-timescales-1812.07669"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-with-neural-network-potentials-1812.07676</loc><lastmod>2018-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-with-neural-network-potentials-1812.07676"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-with-neural-network-potentials-1812.07676"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-insights-into-mechanisms-of-stochastic-gating-in-channel-facilitated-molecular-transport-1812.07693</loc><lastmod>2018-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-insights-into-mechanisms-of-stochastic-gating-in-channel-facilitated-molecular-transport-1812.07693"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-insights-into-mechanisms-of-stochastic-gating-in-channel-facilitated-molecular-transport-1812.07693"/></url>
<url><loc>https://scifaro.com/en/abs/the-quantum-nature-of-hydrogen-1812.07848</loc><lastmod>2019-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-quantum-nature-of-hydrogen-1812.07848"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-quantum-nature-of-hydrogen-1812.07848"/></url>
<url><loc>https://scifaro.com/en/abs/a-toy-model-solved-by-statistical-mechanics-for-teaching-reaction-kinetics-beyond-ideality-1812.07969</loc><lastmod>2025-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-toy-model-solved-by-statistical-mechanics-for-teaching-reaction-kinetics-beyond-ideality-1812.07969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-toy-model-solved-by-statistical-mechanics-for-teaching-reaction-kinetics-beyond-ideality-1812.07969"/></url>
<url><loc>https://scifaro.com/en/abs/a-formally-exact-one-frequency-only-bethe-salpeter-like-equation-similarities-and-differences-between-gw-bse-and-self-consistent-rpa-1812.08421</loc><lastmod>2019-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-formally-exact-one-frequency-only-bethe-salpeter-like-equation-similarities-and-differences-between-gw-bse-and-self-consistent-rpa-1812.08421"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-formally-exact-one-frequency-only-bethe-salpeter-like-equation-similarities-and-differences-between-gw-bse-and-self-consistent-rpa-1812.08421"/></url>
<url><loc>https://scifaro.com/en/abs/pump-push-probe-for-ultrafast-all-optical-switching-the-case-of-a-nanographene-molecule-1812.08481</loc><lastmod>2018-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pump-push-probe-for-ultrafast-all-optical-switching-the-case-of-a-nanographene-molecule-1812.08481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pump-push-probe-for-ultrafast-all-optical-switching-the-case-of-a-nanographene-molecule-1812.08481"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-diversity-in-molecular-orbital-energy-predictions-with-kernel-ridge-regression-1812.08576</loc><lastmod>2019-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-diversity-in-molecular-orbital-energy-predictions-with-kernel-ridge-regression-1812.08576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-diversity-in-molecular-orbital-energy-predictions-with-kernel-ridge-regression-1812.08576"/></url>
<url><loc>https://scifaro.com/en/abs/size-consistency-and-counterpoise-correction-in-explicitly-correlated-calculations-of-interaction-energies-and-interaction-induced-properties-1812.08588</loc><lastmod>2019-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-consistency-and-counterpoise-correction-in-explicitly-correlated-calculations-of-interaction-energies-and-interaction-induced-properties-1812.08588"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-consistency-and-counterpoise-correction-in-explicitly-correlated-calculations-of-interaction-energies-and-interaction-induced-properties-1812.08588"/></url>
<url><loc>https://scifaro.com/en/abs/absolute-diffusion-measurements-of-active-enzyme-solutions-by-nmr-1812.08748</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absolute-diffusion-measurements-of-active-enzyme-solutions-by-nmr-1812.08748"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absolute-diffusion-measurements-of-active-enzyme-solutions-by-nmr-1812.08748"/></url>
<url><loc>https://scifaro.com/en/abs/a-topological-classification-of-molecules-and-chemical-reactions-with-a-perplectic-structure-1812.08814</loc><lastmod>2020-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-topological-classification-of-molecules-and-chemical-reactions-with-a-perplectic-structure-1812.08814"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-topological-classification-of-molecules-and-chemical-reactions-with-a-perplectic-structure-1812.08814"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-x-ray-spectroscopy-of-transition-metal-compounds-1812.08822</loc><lastmod>2019-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-x-ray-spectroscopy-of-transition-metal-compounds-1812.08822"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-x-ray-spectroscopy-of-transition-metal-compounds-1812.08822"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-x-ray-absorption-spectra-with-linear-response-density-cumulant-theory-1812.08827</loc><lastmod>2019-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-x-ray-absorption-spectra-with-linear-response-density-cumulant-theory-1812.08827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-x-ray-absorption-spectra-with-linear-response-density-cumulant-theory-1812.08827"/></url>
<url><loc>https://scifaro.com/en/abs/a-density-functional-theory-based-electron-transport-study-of-coherent-tunneling-through-cyclic-molecules-containing-ru-and-os-as-redox-active-centers-1812.08841</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-density-functional-theory-based-electron-transport-study-of-coherent-tunneling-through-cyclic-molecules-containing-ru-and-os-as-redox-active-centers-1812.08841"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-density-functional-theory-based-electron-transport-study-of-coherent-tunneling-through-cyclic-molecules-containing-ru-and-os-as-redox-active-centers-1812.08841"/></url>
<url><loc>https://scifaro.com/en/abs/the-diamine-cation-is-not-a-chemical-example-where-density-functional-theory-fails-1812.08876</loc><lastmod>2018-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-diamine-cation-is-not-a-chemical-example-where-density-functional-theory-fails-1812.08876"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-diamine-cation-is-not-a-chemical-example-where-density-functional-theory-fails-1812.08876"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-sampling-of-transition-states-1812.09032</loc><lastmod>2019-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-sampling-of-transition-states-1812.09032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-sampling-of-transition-states-1812.09032"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-solvation-structure-of-transition-metal-complexes-from-molecular-dynamics-simulations-and-assessment-of-partial-atomic-charge-methods-1812.09090</loc><lastmod>2019-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-solvation-structure-of-transition-metal-complexes-from-molecular-dynamics-simulations-and-assessment-of-partial-atomic-charge-methods-1812.09090"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-solvation-structure-of-transition-metal-complexes-from-molecular-dynamics-simulations-and-assessment-of-partial-atomic-charge-methods-1812.09090"/></url>
<url><loc>https://scifaro.com/en/abs/improvement-of-functionals-in-density-functional-theory-by-the-inverse-kohn-sham-method-and-density-functional-perturbation-theory-1812.09285</loc><lastmod>2019-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improvement-of-functionals-in-density-functional-theory-by-the-inverse-kohn-sham-method-and-density-functional-perturbation-theory-1812.09285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improvement-of-functionals-in-density-functional-theory-by-the-inverse-kohn-sham-method-and-density-functional-perturbation-theory-1812.09285"/></url>
<url><loc>https://scifaro.com/en/abs/basis-set-convergence-of-wilson-basis-functions-for-electronic-structure-1812.09335</loc><lastmod>2019-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/basis-set-convergence-of-wilson-basis-functions-for-electronic-structure-1812.09335"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/basis-set-convergence-of-wilson-basis-functions-for-electronic-structure-1812.09335"/></url>
<url><loc>https://scifaro.com/en/abs/fingerprint-oxygen-redox-reactions-in-batteries-through-high-efficiency-mapping-of-resonant-inelastic-x-ray-scattering-mrixs-1812.09591</loc><lastmod>2019-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fingerprint-oxygen-redox-reactions-in-batteries-through-high-efficiency-mapping-of-resonant-inelastic-x-ray-scattering-mrixs-1812.09591"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fingerprint-oxygen-redox-reactions-in-batteries-through-high-efficiency-mapping-of-resonant-inelastic-x-ray-scattering-mrixs-1812.09591"/></url>
<url><loc>https://scifaro.com/en/abs/interferences-between-en-and-mn-n-1-2-optical-transition-moments-1812.10270</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interferences-between-en-and-mn-n-1-2-optical-transition-moments-1812.10270"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interferences-between-en-and-mn-n-1-2-optical-transition-moments-1812.10270"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-analysis-of-adsorption-process-of-anti-copper-corrosion-additives-to-the-copper-surface-1812.10647</loc><lastmod>2023-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-analysis-of-adsorption-process-of-anti-copper-corrosion-additives-to-the-copper-surface-1812.10647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-analysis-of-adsorption-process-of-anti-copper-corrosion-additives-to-the-copper-surface-1812.10647"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-single-slater-determinant-for-electronic-hamiltonian-with-lagrange-multipliers-and-newton-raphson-methods-as-an-alternative-to-ground-state-calculations-via-hartree-fock-self-consistent-field-1812.11013</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-single-slater-determinant-for-electronic-hamiltonian-with-lagrange-multipliers-and-newton-raphson-methods-as-an-alternative-to-ground-state-calculations-via-hartree-fock-self-consistent-field-1812.11013"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-single-slater-determinant-for-electronic-hamiltonian-with-lagrange-multipliers-and-newton-raphson-methods-as-an-alternative-to-ground-state-calculations-via-hartree-fock-self-consistent-field-1812.11013"/></url>
<url><loc>https://scifaro.com/en/abs/main-chain-poly-ionic-liquid-derived-nitrogen-doped-micro-mesoporous-carbons-for-co2-capture-and-selective-aerobic-oxidation-of-alcohols-1812.11014</loc><lastmod>2018-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/main-chain-poly-ionic-liquid-derived-nitrogen-doped-micro-mesoporous-carbons-for-co2-capture-and-selective-aerobic-oxidation-of-alcohols-1812.11014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/main-chain-poly-ionic-liquid-derived-nitrogen-doped-micro-mesoporous-carbons-for-co2-capture-and-selective-aerobic-oxidation-of-alcohols-1812.11014"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-the-reply-to-comment-on-dynamically-maintained-steady-state-pressure-gradients-1812.11016</loc><lastmod>2018-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-the-reply-to-comment-on-dynamically-maintained-steady-state-pressure-gradients-1812.11016"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-the-reply-to-comment-on-dynamically-maintained-steady-state-pressure-gradients-1812.11016"/></url>
<url><loc>https://scifaro.com/en/abs/voltage-effects-on-the-stability-of-pd-ensembles-in-pd-au-au-111-surface-alloys-1812.11018</loc><lastmod>2021-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/voltage-effects-on-the-stability-of-pd-ensembles-in-pd-au-au-111-surface-alloys-1812.11018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/voltage-effects-on-the-stability-of-pd-ensembles-in-pd-au-au-111-surface-alloys-1812.11018"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-evaluation-of-coulomb-integrals-for-1-2-and-3-electron-distance-operators-r-c1-n-r-d1-m-r-c1-n-r-12-m-and-r-12-n-r-13-m-with-real-n-m-and-the-descartes-product-of-3-dim-common-density-functional-numerical-integration-scheme-1812.11019</loc><lastmod>2018-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-evaluation-of-coulomb-integrals-for-1-2-and-3-electron-distance-operators-r-c1-n-r-d1-m-r-c1-n-r-12-m-and-r-12-n-r-13-m-with-real-n-m-and-the-descartes-product-of-3-dim-common-density-functional-numerical-integration-scheme-1812.11019"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-evaluation-of-coulomb-integrals-for-1-2-and-3-electron-distance-operators-r-c1-n-r-d1-m-r-c1-n-r-12-m-and-r-12-n-r-13-m-with-real-n-m-and-the-descartes-product-of-3-dim-common-density-functional-numerical-integration-scheme-1812.11019"/></url>
<url><loc>https://scifaro.com/en/abs/direct-multilayer-adsorption-of-vapor-in-solids-with-multiscale-porosity-and-hindered-adsorbed-layers-in-nanopores-1812.11235</loc><lastmod>2019-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-multilayer-adsorption-of-vapor-in-solids-with-multiscale-porosity-and-hindered-adsorbed-layers-in-nanopores-1812.11235"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-multilayer-adsorption-of-vapor-in-solids-with-multiscale-porosity-and-hindered-adsorbed-layers-in-nanopores-1812.11235"/></url>
<url><loc>https://scifaro.com/en/abs/a-microscopic-perspective-on-heterogeneous-catalysis-1812.11398</loc><lastmod>2019-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-microscopic-perspective-on-heterogeneous-catalysis-1812.11398"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-microscopic-perspective-on-heterogeneous-catalysis-1812.11398"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-many-electron-wavefunctions-using-atomic-potentials-refinements-and-extensions-to-transition-metals-and-large-systems-1812.11820</loc><lastmod>2022-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-many-electron-wavefunctions-using-atomic-potentials-refinements-and-extensions-to-transition-metals-and-large-systems-1812.11820"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-many-electron-wavefunctions-using-atomic-potentials-refinements-and-extensions-to-transition-metals-and-large-systems-1812.11820"/></url>
<url><loc>https://scifaro.com/en/abs/turbulent-clustering-of-particles-and-radiation-induced-ignition-of-dust-explosions-1812.11821</loc><lastmod>2019-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/turbulent-clustering-of-particles-and-radiation-induced-ignition-of-dust-explosions-1812.11821"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/turbulent-clustering-of-particles-and-radiation-induced-ignition-of-dust-explosions-1812.11821"/></url>
<url><loc>https://scifaro.com/en/abs/a-variational-approach-to-london-dispersion-interactions-without-density-distortion-1812.11840</loc><lastmod>2019-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-variational-approach-to-london-dispersion-interactions-without-density-distortion-1812.11840"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-variational-approach-to-london-dispersion-interactions-without-density-distortion-1812.11840"/></url>
<url><loc>https://scifaro.com/en/abs/effective-dielectric-constant-of-water-at-the-interface-with-charged-c-60-fullerenes-1901.00269</loc><lastmod>2019-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effective-dielectric-constant-of-water-at-the-interface-with-charged-c-60-fullerenes-1901.00269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effective-dielectric-constant-of-water-at-the-interface-with-charged-c-60-fullerenes-1901.00269"/></url>
<url><loc>https://scifaro.com/en/abs/the-chemical-space-of-b-n-substituted-polycyclic-aromatic-hydrocarbons-combinatorial-enumeration-and-high-throughput-first-principles-modeling-1901.00649</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-chemical-space-of-b-n-substituted-polycyclic-aromatic-hydrocarbons-combinatorial-enumeration-and-high-throughput-first-principles-modeling-1901.00649"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-chemical-space-of-b-n-substituted-polycyclic-aromatic-hydrocarbons-combinatorial-enumeration-and-high-throughput-first-principles-modeling-1901.00649"/></url>
<url><loc>https://scifaro.com/en/abs/modelling-the-photochrome-tio2-interface-with-bethe-salpeter-and-td-dft-methods-1901.01195</loc><lastmod>2019-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modelling-the-photochrome-tio2-interface-with-bethe-salpeter-and-td-dft-methods-1901.01195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modelling-the-photochrome-tio2-interface-with-bethe-salpeter-and-td-dft-methods-1901.01195"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-equilibration-between-excited-states-or-solvent-effects-unveiling-the-origins-of-anomalous-emissions-in-heteroleptic-ru-ii-complexes-1901.01198</loc><lastmod>2019-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-equilibration-between-excited-states-or-solvent-effects-unveiling-the-origins-of-anomalous-emissions-in-heteroleptic-ru-ii-complexes-1901.01198"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-equilibration-between-excited-states-or-solvent-effects-unveiling-the-origins-of-anomalous-emissions-in-heteroleptic-ru-ii-complexes-1901.01198"/></url>
<url><loc>https://scifaro.com/en/abs/facial-and-meridional-isomers-of-tris-bidentate-ir-iii-complexes-unravelling-their-different-excited-state-reactivity-1901.01200</loc><lastmod>2019-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/facial-and-meridional-isomers-of-tris-bidentate-ir-iii-complexes-unravelling-their-different-excited-state-reactivity-1901.01200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/facial-and-meridional-isomers-of-tris-bidentate-ir-iii-complexes-unravelling-their-different-excited-state-reactivity-1901.01200"/></url>
<url><loc>https://scifaro.com/en/abs/general-approach-to-compute-phosphorescent-oled-efficiency-1901.01201</loc><lastmod>2019-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-approach-to-compute-phosphorescent-oled-efficiency-1901.01201"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-approach-to-compute-phosphorescent-oled-efficiency-1901.01201"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-kasha-s-scheme-for-classifying-two-dimensional-excitonic-molecular-aggregates-temperature-dependent-absorption-peak-frequency-shift-1901.01318</loc><lastmod>2021-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-kasha-s-scheme-for-classifying-two-dimensional-excitonic-molecular-aggregates-temperature-dependent-absorption-peak-frequency-shift-1901.01318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-kasha-s-scheme-for-classifying-two-dimensional-excitonic-molecular-aggregates-temperature-dependent-absorption-peak-frequency-shift-1901.01318"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-kinetics-of-sei-growth-on-carbon-black-ii-modeling-1901.01326</loc><lastmod>2019-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-kinetics-of-sei-growth-on-carbon-black-ii-modeling-1901.01326"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-kinetics-of-sei-growth-on-carbon-black-ii-modeling-1901.01326"/></url>
<url><loc>https://scifaro.com/en/abs/predictive-semiclassical-model-for-coherent-and-incoherent-emission-in-the-strong-field-regime-the-mollow-triplet-revisited-1901.02101</loc><lastmod>2019-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predictive-semiclassical-model-for-coherent-and-incoherent-emission-in-the-strong-field-regime-the-mollow-triplet-revisited-1901.02101"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predictive-semiclassical-model-for-coherent-and-incoherent-emission-in-the-strong-field-regime-the-mollow-triplet-revisited-1901.02101"/></url>
<url><loc>https://scifaro.com/en/abs/uncertainties-in-the-static-dielectric-constants-computed-from-molecular-dynamics-simulations-1901.02127</loc><lastmod>2019-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncertainties-in-the-static-dielectric-constants-computed-from-molecular-dynamics-simulations-1901.02127"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncertainties-in-the-static-dielectric-constants-computed-from-molecular-dynamics-simulations-1901.02127"/></url>
<url><loc>https://scifaro.com/en/abs/production-of-rotationally-cold-methyl-radicals-in-pulsed-supersonic-beams-1901.02443</loc><lastmod>2020-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/production-of-rotationally-cold-methyl-radicals-in-pulsed-supersonic-beams-1901.02443"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/production-of-rotationally-cold-methyl-radicals-in-pulsed-supersonic-beams-1901.02443"/></url>
<url><loc>https://scifaro.com/en/abs/penning-collisions-between-supersonically-expanded-metastable-helium-atoms-and-laser-cooled-lithium-atoms-1901.02482</loc><lastmod>2020-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/penning-collisions-between-supersonically-expanded-metastable-helium-atoms-and-laser-cooled-lithium-atoms-1901.02482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/penning-collisions-between-supersonically-expanded-metastable-helium-atoms-and-laser-cooled-lithium-atoms-1901.02482"/></url>
<url><loc>https://scifaro.com/en/abs/copper-atomic-contacts-exposed-to-water-molecules-1901.02606</loc><lastmod>2019-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/copper-atomic-contacts-exposed-to-water-molecules-1901.02606"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/copper-atomic-contacts-exposed-to-water-molecules-1901.02606"/></url>
<url><loc>https://scifaro.com/en/abs/diagrammatic-coupled-cluster-monte-carlo-1901.02753</loc><lastmod>2019-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diagrammatic-coupled-cluster-monte-carlo-1901.02753"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diagrammatic-coupled-cluster-monte-carlo-1901.02753"/></url>
<url><loc>https://scifaro.com/en/abs/revealing-the-physico-chemical-basis-of-organic-solid-solid-wetting-deposition-casimir-like-forces-hydrophobic-collapse-and-the-role-of-the-zeta-potential-1901.02917</loc><lastmod>2019-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revealing-the-physico-chemical-basis-of-organic-solid-solid-wetting-deposition-casimir-like-forces-hydrophobic-collapse-and-the-role-of-the-zeta-potential-1901.02917"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revealing-the-physico-chemical-basis-of-organic-solid-solid-wetting-deposition-casimir-like-forces-hydrophobic-collapse-and-the-role-of-the-zeta-potential-1901.02917"/></url>
<url><loc>https://scifaro.com/en/abs/alignment-of-the-cs-2-dimer-embedded-in-helium-droplets-induced-by-a-circularly-polarized-laser-pulse-1901.03184</loc><lastmod>2019-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alignment-of-the-cs-2-dimer-embedded-in-helium-droplets-induced-by-a-circularly-polarized-laser-pulse-1901.03184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alignment-of-the-cs-2-dimer-embedded-in-helium-droplets-induced-by-a-circularly-polarized-laser-pulse-1901.03184"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-molecular-dynamics-relaxation-and-intersystem-crossing-mechanisms-of-5-azacytosine-1901.03222</loc><lastmod>2021-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-relaxation-and-intersystem-crossing-mechanisms-of-5-azacytosine-1901.03222"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-relaxation-and-intersystem-crossing-mechanisms-of-5-azacytosine-1901.03222"/></url>
<url><loc>https://scifaro.com/en/abs/internal-conversion-and-intersystem-crossing-pathways-in-uv-excited-isolated-uracils-and-their-implications-in-prebiotic-chemistry-1901.03234</loc><lastmod>2021-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/internal-conversion-and-intersystem-crossing-pathways-in-uv-excited-isolated-uracils-and-their-implications-in-prebiotic-chemistry-1901.03234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/internal-conversion-and-intersystem-crossing-pathways-in-uv-excited-isolated-uracils-and-their-implications-in-prebiotic-chemistry-1901.03234"/></url>
<url><loc>https://scifaro.com/en/abs/surface-hopping-dynamics-including-intersystem-crossing-using-the-algebraic-diagrammatic-construction-method-1901.03241</loc><lastmod>2019-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-hopping-dynamics-including-intersystem-crossing-using-the-algebraic-diagrammatic-construction-method-1901.03241"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-hopping-dynamics-including-intersystem-crossing-using-the-algebraic-diagrammatic-construction-method-1901.03241"/></url>
<url><loc>https://scifaro.com/en/abs/a-universal-density-matrix-functional-from-molecular-orbital-based-machine-learning-transferability-across-organic-molecules-1901.03309</loc><lastmod>2019-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-universal-density-matrix-functional-from-molecular-orbital-based-machine-learning-transferability-across-organic-molecules-1901.03309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-universal-density-matrix-functional-from-molecular-orbital-based-machine-learning-transferability-across-organic-molecules-1901.03309"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-multivariate-adaptive-regression-splines-marsplines-for-predicting-hansen-solubility-parameters-based-on-1d-and-2d-molecular-descriptors-computed-from-smiles-string-1901.03408</loc><lastmod>2019-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-multivariate-adaptive-regression-splines-marsplines-for-predicting-hansen-solubility-parameters-based-on-1d-and-2d-molecular-descriptors-computed-from-smiles-string-1901.03408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-multivariate-adaptive-regression-splines-marsplines-for-predicting-hansen-solubility-parameters-based-on-1d-and-2d-molecular-descriptors-computed-from-smiles-string-1901.03408"/></url>
<url><loc>https://scifaro.com/en/abs/functional-derivative-of-the-zero-point-energy-functional-from-the-strong-interaction-limit-of-density-functional-theory-1901.03511</loc><lastmod>2019-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/functional-derivative-of-the-zero-point-energy-functional-from-the-strong-interaction-limit-of-density-functional-theory-1901.03511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/functional-derivative-of-the-zero-point-energy-functional-from-the-strong-interaction-limit-of-density-functional-theory-1901.03511"/></url>
<url><loc>https://scifaro.com/en/abs/a-dft-based-tight-binding-approach-to-the-self-consistent-description-of-molecule-metal-nanoparticle-interactions-1901.03740</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-dft-based-tight-binding-approach-to-the-self-consistent-description-of-molecule-metal-nanoparticle-interactions-1901.03740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-dft-based-tight-binding-approach-to-the-self-consistent-description-of-molecule-metal-nanoparticle-interactions-1901.03740"/></url>
<url><loc>https://scifaro.com/en/abs/anisotropic-charge-carrier-and-coherent-acoustic-phonon-dynamics-of-black-phosphorus-studied-by-transient-absorption-microscopy-1901.04101</loc><lastmod>2019-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anisotropic-charge-carrier-and-coherent-acoustic-phonon-dynamics-of-black-phosphorus-studied-by-transient-absorption-microscopy-1901.04101"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anisotropic-charge-carrier-and-coherent-acoustic-phonon-dynamics-of-black-phosphorus-studied-by-transient-absorption-microscopy-1901.04101"/></url>
<url><loc>https://scifaro.com/en/abs/two-dimensional-water-in-graphene-nanocapillaries-simulated-with-different-force-fields-rhombic-versus-square-structures-proton-ordering-and-phase-transitions-1901.04236</loc><lastmod>2019-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-water-in-graphene-nanocapillaries-simulated-with-different-force-fields-rhombic-versus-square-structures-proton-ordering-and-phase-transitions-1901.04236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-water-in-graphene-nanocapillaries-simulated-with-different-force-fields-rhombic-versus-square-structures-proton-ordering-and-phase-transitions-1901.04236"/></url>
<url><loc>https://scifaro.com/en/abs/precise-micropatterning-of-a-porous-poly-ionic-liquid-via-maskless-photolithography-for-high-performance-non-enzymatic-h2o2-sensing-1901.04532</loc><lastmod>2019-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/precise-micropatterning-of-a-porous-poly-ionic-liquid-via-maskless-photolithography-for-high-performance-non-enzymatic-h2o2-sensing-1901.04532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/precise-micropatterning-of-a-porous-poly-ionic-liquid-via-maskless-photolithography-for-high-performance-non-enzymatic-h2o2-sensing-1901.04532"/></url>
<url><loc>https://scifaro.com/en/abs/artificial-intelligence-assists-discovery-of-reaction-coordinates-and-mechanisms-from-molecular-dynamics-simulations-1901.04595</loc><lastmod>2019-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/artificial-intelligence-assists-discovery-of-reaction-coordinates-and-mechanisms-from-molecular-dynamics-simulations-1901.04595"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/artificial-intelligence-assists-discovery-of-reaction-coordinates-and-mechanisms-from-molecular-dynamics-simulations-1901.04595"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-and-experimental-study-of-high-pressure-synthesized-b20-type-compounds-mn-1-x-co-rh-x-ge-1901.04698</loc><lastmod>2019-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-and-experimental-study-of-high-pressure-synthesized-b20-type-compounds-mn-1-x-co-rh-x-ge-1901.04698"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-and-experimental-study-of-high-pressure-synthesized-b20-type-compounds-mn-1-x-co-rh-x-ge-1901.04698"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemistry-on-quantum-annealers-1901.04715</loc><lastmod>2019-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemistry-on-quantum-annealers-1901.04715"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemistry-on-quantum-annealers-1901.04715"/></url>
<url><loc>https://scifaro.com/en/abs/multistate-reversible-copolymerization-of-nonmarkovian-chains-under-low-conversion-conditions-1901.04898</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multistate-reversible-copolymerization-of-nonmarkovian-chains-under-low-conversion-conditions-1901.04898"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multistate-reversible-copolymerization-of-nonmarkovian-chains-under-low-conversion-conditions-1901.04898"/></url>
<url><loc>https://scifaro.com/en/abs/band-edge-excitation-of-carotenoids-removes-s-revealing-triplet-pair-contributions-to-the-s1-absorption-spectrum-1901.04900</loc><lastmod>2019-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/band-edge-excitation-of-carotenoids-removes-s-revealing-triplet-pair-contributions-to-the-s1-absorption-spectrum-1901.04900"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/band-edge-excitation-of-carotenoids-removes-s-revealing-triplet-pair-contributions-to-the-s1-absorption-spectrum-1901.04900"/></url>
<url><loc>https://scifaro.com/en/abs/cooking-carbon-in-a-solid-salt-synthesis-of-porous-heteroatom-doped-carbon-foams-for-enhanced-organic-pollutant-degradation-under-visible-light-1901.04902</loc><lastmod>2019-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cooking-carbon-in-a-solid-salt-synthesis-of-porous-heteroatom-doped-carbon-foams-for-enhanced-organic-pollutant-degradation-under-visible-light-1901.04902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cooking-carbon-in-a-solid-salt-synthesis-of-porous-heteroatom-doped-carbon-foams-for-enhanced-organic-pollutant-degradation-under-visible-light-1901.04902"/></url>
<url><loc>https://scifaro.com/en/abs/poly-ionic-liquid-s-platform-for-co2-capture-and-catalysis-1901.04907</loc><lastmod>2019-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/poly-ionic-liquid-s-platform-for-co2-capture-and-catalysis-1901.04907"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/poly-ionic-liquid-s-platform-for-co2-capture-and-catalysis-1901.04907"/></url>
<url><loc>https://scifaro.com/en/abs/linear-stability-analysis-of-transient-electrodeposition-in-charged-porous-media-suppression-of-dendritic-growth-by-surface-conduction-1901.05033</loc><lastmod>2019-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-stability-analysis-of-transient-electrodeposition-in-charged-porous-media-suppression-of-dendritic-growth-by-surface-conduction-1901.05033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-stability-analysis-of-transient-electrodeposition-in-charged-porous-media-suppression-of-dendritic-growth-by-surface-conduction-1901.05033"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-fly-ab-initio-three-thawed-gaussians-approximation-a-semiclassical-approach-to-herzberg-teller-spectra-1901.05208</loc><lastmod>2019-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-three-thawed-gaussians-approximation-a-semiclassical-approach-to-herzberg-teller-spectra-1901.05208"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-three-thawed-gaussians-approximation-a-semiclassical-approach-to-herzberg-teller-spectra-1901.05208"/></url>
<url><loc>https://scifaro.com/en/abs/oxh2x-1-clusters-a-new-series-of-non-metallic-superalkali-cations-by-trapping-h3o-into-water-1901.05253</loc><lastmod>2019-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oxh2x-1-clusters-a-new-series-of-non-metallic-superalkali-cations-by-trapping-h3o-into-water-1901.05253"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oxh2x-1-clusters-a-new-series-of-non-metallic-superalkali-cations-by-trapping-h3o-into-water-1901.05253"/></url>
<url><loc>https://scifaro.com/en/abs/training-neural-nets-to-learn-reactive-potential-energy-surfaces-using-interactive-quantum-chemistry-in-virtual-reality-1901.05417</loc><lastmod>2019-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/training-neural-nets-to-learn-reactive-potential-energy-surfaces-using-interactive-quantum-chemistry-in-virtual-reality-1901.05417"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/training-neural-nets-to-learn-reactive-potential-energy-surfaces-using-interactive-quantum-chemistry-in-virtual-reality-1901.05417"/></url>
<url><loc>https://scifaro.com/en/abs/controlling-rotational-quenching-rates-in-cold-molecular-collisions-1901.05544</loc><lastmod>2020-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlling-rotational-quenching-rates-in-cold-molecular-collisions-1901.05544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlling-rotational-quenching-rates-in-cold-molecular-collisions-1901.05544"/></url>
<url><loc>https://scifaro.com/en/abs/population-dynamics-of-driven-autocatalytic-reactive-mixtures-1901.05575</loc><lastmod>2019-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/population-dynamics-of-driven-autocatalytic-reactive-mixtures-1901.05575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/population-dynamics-of-driven-autocatalytic-reactive-mixtures-1901.05575"/></url>
<url><loc>https://scifaro.com/en/abs/visible-and-ultraviolet-laser-spectroscopy-of-thf-1901.06084</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visible-and-ultraviolet-laser-spectroscopy-of-thf-1901.06084"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visible-and-ultraviolet-laser-spectroscopy-of-thf-1901.06084"/></url>
<url><loc>https://scifaro.com/en/abs/investigating-the-accuracy-of-the-diffusion-coefficient-estimation-based-on-the-rotating-ring-disk-electrode-transient-measurements-in-the-cases-of-kinetic-limited-regime-and-disk-surface-passivation-1901.06099</loc><lastmod>2019-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigating-the-accuracy-of-the-diffusion-coefficient-estimation-based-on-the-rotating-ring-disk-electrode-transient-measurements-in-the-cases-of-kinetic-limited-regime-and-disk-surface-passivation-1901.06099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigating-the-accuracy-of-the-diffusion-coefficient-estimation-based-on-the-rotating-ring-disk-electrode-transient-measurements-in-the-cases-of-kinetic-limited-regime-and-disk-surface-passivation-1901.06099"/></url>
<url><loc>https://scifaro.com/en/abs/using-structurally-well-defined-norbornyl-bridged-acene-dimers-to-map-a-mechanistic-landscape-for-correlated-triplet-formation-in-singlet-fission-1901.06320</loc><lastmod>2019-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-structurally-well-defined-norbornyl-bridged-acene-dimers-to-map-a-mechanistic-landscape-for-correlated-triplet-formation-in-singlet-fission-1901.06320"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-structurally-well-defined-norbornyl-bridged-acene-dimers-to-map-a-mechanistic-landscape-for-correlated-triplet-formation-in-singlet-fission-1901.06320"/></url>
<url><loc>https://scifaro.com/en/abs/preconditioning-and-perturbative-estimators-in-full-configuration-interaction-quantum-monte-carlo-1901.06348</loc><lastmod>2019-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/preconditioning-and-perturbative-estimators-in-full-configuration-interaction-quantum-monte-carlo-1901.06348"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/preconditioning-and-perturbative-estimators-in-full-configuration-interaction-quantum-monte-carlo-1901.06348"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-force-fields-with-gradient-domain-machine-learning-construction-and-application-to-dynamics-of-small-molecules-with-coupled-cluster-forces-1901.06594</loc><lastmod>2019-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-force-fields-with-gradient-domain-machine-learning-construction-and-application-to-dynamics-of-small-molecules-with-coupled-cluster-forces-1901.06594"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-force-fields-with-gradient-domain-machine-learning-construction-and-application-to-dynamics-of-small-molecules-with-coupled-cluster-forces-1901.06594"/></url>
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<url><loc>https://scifaro.com/en/abs/thermofield-theory-for-finite-temperature-quantum-chemistry-1901.06753</loc><lastmod>2020-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermofield-theory-for-finite-temperature-quantum-chemistry-1901.06753"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermofield-theory-for-finite-temperature-quantum-chemistry-1901.06753"/></url>
<url><loc>https://scifaro.com/en/abs/induced-charge-electroosmotic-flow-with-finite-ion-size-and-solvation-effects-1901.06941</loc><lastmod>2019-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/induced-charge-electroosmotic-flow-with-finite-ion-size-and-solvation-effects-1901.06941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/induced-charge-electroosmotic-flow-with-finite-ion-size-and-solvation-effects-1901.06941"/></url>
<url><loc>https://scifaro.com/en/abs/natural-orbital-functional-for-spin-polarized-periodic-systems-1901.06942</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/natural-orbital-functional-for-spin-polarized-periodic-systems-1901.06942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/natural-orbital-functional-for-spin-polarized-periodic-systems-1901.06942"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-nuclear-magnetic-resonance-spectroscopy-with-picomole-sensitivity-by-hyperpolarisation-on-a-chip-1901.07065</loc><lastmod>2019-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-nuclear-magnetic-resonance-spectroscopy-with-picomole-sensitivity-by-hyperpolarisation-on-a-chip-1901.07065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-nuclear-magnetic-resonance-spectroscopy-with-picomole-sensitivity-by-hyperpolarisation-on-a-chip-1901.07065"/></url>
<url><loc>https://scifaro.com/en/abs/unveiling-the-photophysics-of-thiourea-from-caspt2-casscf-potential-energy-surfaces-and-singlet-triplet-excited-state-molecular-dynamics-simulations-1901.07501</loc><lastmod>2019-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unveiling-the-photophysics-of-thiourea-from-caspt2-casscf-potential-energy-surfaces-and-singlet-triplet-excited-state-molecular-dynamics-simulations-1901.07501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unveiling-the-photophysics-of-thiourea-from-caspt2-casscf-potential-energy-surfaces-and-singlet-triplet-excited-state-molecular-dynamics-simulations-1901.07501"/></url>
<url><loc>https://scifaro.com/en/abs/taking-the-plunge-nanoscale-chemical-imaging-of-functionalized-gold-triangles-in-h2o-via-ters-1901.07624</loc><lastmod>2019-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/taking-the-plunge-nanoscale-chemical-imaging-of-functionalized-gold-triangles-in-h2o-via-ters-1901.07624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/taking-the-plunge-nanoscale-chemical-imaging-of-functionalized-gold-triangles-in-h2o-via-ters-1901.07624"/></url>
<url><loc>https://scifaro.com/en/abs/simulated-xuv-photoelectron-spectra-of-thz-pumped-liquid-water-1901.07792</loc><lastmod>2019-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulated-xuv-photoelectron-spectra-of-thz-pumped-liquid-water-1901.07792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulated-xuv-photoelectron-spectra-of-thz-pumped-liquid-water-1901.07792"/></url>
<url><loc>https://scifaro.com/en/abs/solvent-aware-interfaces-in-continuum-solvation-1901.08138</loc><lastmod>2019-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvent-aware-interfaces-in-continuum-solvation-1901.08138"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvent-aware-interfaces-in-continuum-solvation-1901.08138"/></url>
<url><loc>https://scifaro.com/en/abs/mean-field-theory-of-thermal-energy-transport-in-molecular-junctions-1901.08154</loc><lastmod>2019-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mean-field-theory-of-thermal-energy-transport-in-molecular-junctions-1901.08154"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mean-field-theory-of-thermal-energy-transport-in-molecular-junctions-1901.08154"/></url>
<url><loc>https://scifaro.com/en/abs/range-separated-multideterminant-density-functional-theory-with-a-short-range-correlation-functional-of-the-on-top-pair-density-1901.08321</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/range-separated-multideterminant-density-functional-theory-with-a-short-range-correlation-functional-of-the-on-top-pair-density-1901.08321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/range-separated-multideterminant-density-functional-theory-with-a-short-range-correlation-functional-of-the-on-top-pair-density-1901.08321"/></url>
<url><loc>https://scifaro.com/en/abs/many-body-contacts-in-fractal-polymer-chains-and-fbm-trajectories-1901.08418</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-body-contacts-in-fractal-polymer-chains-and-fbm-trajectories-1901.08418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-body-contacts-in-fractal-polymer-chains-and-fbm-trajectories-1901.08418"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-inner-shell-photoelectron-spectroscopy-from-a-bound-molecule-to-an-isolated-atom-1901.08937</loc><lastmod>2019-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-inner-shell-photoelectron-spectroscopy-from-a-bound-molecule-to-an-isolated-atom-1901.08937"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-inner-shell-photoelectron-spectroscopy-from-a-bound-molecule-to-an-isolated-atom-1901.08937"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-assisted-nonadiabatic-charge-transfer-reaction-in-a-mixed-atom-ion-system-1901.09061</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-assisted-nonadiabatic-charge-transfer-reaction-in-a-mixed-atom-ion-system-1901.09061"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-assisted-nonadiabatic-charge-transfer-reaction-in-a-mixed-atom-ion-system-1901.09061"/></url>
<url><loc>https://scifaro.com/en/abs/on-achieving-high-accuracy-in-quantum-chemical-calculations-of-3d-transition-metal-systems-a-comparison-of-auxiliary-field-quantum-monte-carlo-with-coupled-cluster-density-functional-theory-and-experiment-for-diatomic-molecules-1901.09464</loc><lastmod>2019-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-achieving-high-accuracy-in-quantum-chemical-calculations-of-3d-transition-metal-systems-a-comparison-of-auxiliary-field-quantum-monte-carlo-with-coupled-cluster-density-functional-theory-and-experiment-for-diatomic-molecules-1901.09464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-achieving-high-accuracy-in-quantum-chemical-calculations-of-3d-transition-metal-systems-a-comparison-of-auxiliary-field-quantum-monte-carlo-with-coupled-cluster-density-functional-theory-and-experiment-for-diatomic-molecules-1901.09464"/></url>
<url><loc>https://scifaro.com/en/abs/monitoring-spontaneous-charge-density-fluctuations-by-single-molecule-diffraction-of-quantum-light-1901.10093</loc><lastmod>2019-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monitoring-spontaneous-charge-density-fluctuations-by-single-molecule-diffraction-of-quantum-light-1901.10093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monitoring-spontaneous-charge-density-fluctuations-by-single-molecule-diffraction-of-quantum-light-1901.10093"/></url>
<url><loc>https://scifaro.com/en/abs/a-discrete-approximation-to-gibbs-free-energy-of-chemical-reactions-is-needed-for-accurately-calculating-entropy-production-in-mesoscopic-simulations-1901.10520</loc><lastmod>2019-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-discrete-approximation-to-gibbs-free-energy-of-chemical-reactions-is-needed-for-accurately-calculating-entropy-production-in-mesoscopic-simulations-1901.10520"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-discrete-approximation-to-gibbs-free-energy-of-chemical-reactions-is-needed-for-accurately-calculating-entropy-production-in-mesoscopic-simulations-1901.10520"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-quantum-fokker-planck-and-smoluchowski-equations-and-their-extension-to-multistate-systems-1901.10547</loc><lastmod>2019-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-quantum-fokker-planck-and-smoluchowski-equations-and-their-extension-to-multistate-systems-1901.10547"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-quantum-fokker-planck-and-smoluchowski-equations-and-their-extension-to-multistate-systems-1901.10547"/></url>
<url><loc>https://scifaro.com/en/abs/anharmonic-effects-in-the-low-frequency-vibrational-modes-of-aspirin-and-paracetamol-crystals-1901.10587</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anharmonic-effects-in-the-low-frequency-vibrational-modes-of-aspirin-and-paracetamol-crystals-1901.10587"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anharmonic-effects-in-the-low-frequency-vibrational-modes-of-aspirin-and-paracetamol-crystals-1901.10587"/></url>
<url><loc>https://scifaro.com/en/abs/zero-energy-proton-dissociation-of-h-2-through-stimulated-raman-scattering-1901.10743</loc><lastmod>2019-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zero-energy-proton-dissociation-of-h-2-through-stimulated-raman-scattering-1901.10743"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zero-energy-proton-dissociation-of-h-2-through-stimulated-raman-scattering-1901.10743"/></url>
<url><loc>https://scifaro.com/en/abs/single-hessian-thawed-gaussian-approximation-the-missing-rung-on-the-ladder-1901.10769</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/single-hessian-thawed-gaussian-approximation-the-missing-rung-on-the-ladder-1901.10769"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/single-hessian-thawed-gaussian-approximation-the-missing-rung-on-the-ladder-1901.10769"/></url>
<url><loc>https://scifaro.com/en/abs/design-and-analysis-of-machine-learning-exchange-correlation-functionals-via-rotationally-invariant-convolutional-descriptors-1901.10822</loc><lastmod>2019-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/design-and-analysis-of-machine-learning-exchange-correlation-functionals-via-rotationally-invariant-convolutional-descriptors-1901.10822"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/design-and-analysis-of-machine-learning-exchange-correlation-functionals-via-rotationally-invariant-convolutional-descriptors-1901.10822"/></url>
<url><loc>https://scifaro.com/en/abs/excited-states-of-molecules-in-strong-uniform-and-non-uniform-magnetic-fields-1901.11086</loc><lastmod>2019-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-states-of-molecules-in-strong-uniform-and-non-uniform-magnetic-fields-1901.11086"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-states-of-molecules-in-strong-uniform-and-non-uniform-magnetic-fields-1901.11086"/></url>
<url><loc>https://scifaro.com/en/abs/solvation-entropy-made-simple-1901.11128</loc><lastmod>2019-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvation-entropy-made-simple-1901.11128"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvation-entropy-made-simple-1901.11128"/></url>
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<url><loc>https://scifaro.com/en/abs/separable-resolution-of-the-identity-with-all-electron-gaussian-bases-application-to-cubic-scaling-rpa-1902.00066</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/separable-resolution-of-the-identity-with-all-electron-gaussian-bases-application-to-cubic-scaling-rpa-1902.00066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/separable-resolution-of-the-identity-with-all-electron-gaussian-bases-application-to-cubic-scaling-rpa-1902.00066"/></url>
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<url><loc>https://scifaro.com/en/abs/visualizing-complex-valued-molecular-orbitals-1902.01284</loc><lastmod>2019-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visualizing-complex-valued-molecular-orbitals-1902.01284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visualizing-complex-valued-molecular-orbitals-1902.01284"/></url>
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<url><loc>https://scifaro.com/en/abs/faster-lead-acid-battery-simulations-from-porous-electrode-theory-ii-asymptotic-analysis-1902.01774</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/faster-lead-acid-battery-simulations-from-porous-electrode-theory-ii-asymptotic-analysis-1902.01774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/faster-lead-acid-battery-simulations-from-porous-electrode-theory-ii-asymptotic-analysis-1902.01774"/></url>
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<url><loc>https://scifaro.com/en/abs/state-dependent-fragmentation-of-protonated-uracil-and-uridine-1902.02042</loc><lastmod>2019-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-dependent-fragmentation-of-protonated-uracil-and-uridine-1902.02042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-dependent-fragmentation-of-protonated-uracil-and-uridine-1902.02042"/></url>
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<url><loc>https://scifaro.com/en/abs/momentum-space-calculations-of-the-binding-energies-of-argon-dimer-1902.03532</loc><lastmod>2019-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/momentum-space-calculations-of-the-binding-energies-of-argon-dimer-1902.03532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/momentum-space-calculations-of-the-binding-energies-of-argon-dimer-1902.03532"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-dynamics-in-the-vicinity-of-quantum-light-induced-conical-intersections-1902.03640</loc><lastmod>2019-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-dynamics-in-the-vicinity-of-quantum-light-induced-conical-intersections-1902.03640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-dynamics-in-the-vicinity-of-quantum-light-induced-conical-intersections-1902.03640"/></url>
<url><loc>https://scifaro.com/en/abs/transient-response-of-an-electrolyte-to-a-thermal-quench-1902.03963</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transient-response-of-an-electrolyte-to-a-thermal-quench-1902.03963"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transient-response-of-an-electrolyte-to-a-thermal-quench-1902.03963"/></url>
<url><loc>https://scifaro.com/en/abs/electro-oxidation-of-p-silicon-in-fluoride-containing-electrolyte-a-physical-model-for-the-regime-of-negative-differential-resistance-1902.04328</loc><lastmod>2019-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electro-oxidation-of-p-silicon-in-fluoride-containing-electrolyte-a-physical-model-for-the-regime-of-negative-differential-resistance-1902.04328"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electro-oxidation-of-p-silicon-in-fluoride-containing-electrolyte-a-physical-model-for-the-regime-of-negative-differential-resistance-1902.04328"/></url>
<url><loc>https://scifaro.com/en/abs/towards-rechargeable-zinc-air-batteries-with-aqueous-chloride-electrolytes-1902.04400</loc><lastmod>2019-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-rechargeable-zinc-air-batteries-with-aqueous-chloride-electrolytes-1902.04400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-rechargeable-zinc-air-batteries-with-aqueous-chloride-electrolytes-1902.04400"/></url>
<url><loc>https://scifaro.com/en/abs/coordinate-descent-full-configuration-interaction-1902.04592</loc><lastmod>2019-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coordinate-descent-full-configuration-interaction-1902.04592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coordinate-descent-full-configuration-interaction-1902.04592"/></url>
<url><loc>https://scifaro.com/en/abs/removing-instabilities-in-the-hierarchical-equations-of-motion-exact-and-approximate-projection-approaches-1902.04594</loc><lastmod>2019-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/removing-instabilities-in-the-hierarchical-equations-of-motion-exact-and-approximate-projection-approaches-1902.04594"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/removing-instabilities-in-the-hierarchical-equations-of-motion-exact-and-approximate-projection-approaches-1902.04594"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-geometric-integrators-for-nonadiabatic-quantum-dynamics-i-the-adiabatic-representation-1902.04661</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-geometric-integrators-for-nonadiabatic-quantum-dynamics-i-the-adiabatic-representation-1902.04661"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-geometric-integrators-for-nonadiabatic-quantum-dynamics-i-the-adiabatic-representation-1902.04661"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-simulation-of-near-edge-x-ray-absorption-fine-structure-nexafs-in-density-functional-theory-comparison-of-core-level-constraining-approaches-1902.04906</loc><lastmod>2019-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-simulation-of-near-edge-x-ray-absorption-fine-structure-nexafs-in-density-functional-theory-comparison-of-core-level-constraining-approaches-1902.04906"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-simulation-of-near-edge-x-ray-absorption-fine-structure-nexafs-in-density-functional-theory-comparison-of-core-level-constraining-approaches-1902.04906"/></url>
<url><loc>https://scifaro.com/en/abs/incorrectness-of-analytical-solution-of-schrodinger-equation-for-diatomic-molecule-with-shifted-tietz-wei-potential-1902.04977</loc><lastmod>2019-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/incorrectness-of-analytical-solution-of-schrodinger-equation-for-diatomic-molecule-with-shifted-tietz-wei-potential-1902.04977"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/incorrectness-of-analytical-solution-of-schrodinger-equation-for-diatomic-molecule-with-shifted-tietz-wei-potential-1902.04977"/></url>
<url><loc>https://scifaro.com/en/abs/on-exact-analytical-calculations-of-thermodynamic-functions-of-gaseous-substances-r-khordad-a-avazpour-and-a-ghanbari-chemical-physics-517-2019-30-1902.04989</loc><lastmod>2019-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-exact-analytical-calculations-of-thermodynamic-functions-of-gaseous-substances-r-khordad-a-avazpour-and-a-ghanbari-chemical-physics-517-2019-30-1902.04989"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-exact-analytical-calculations-of-thermodynamic-functions-of-gaseous-substances-r-khordad-a-avazpour-and-a-ghanbari-chemical-physics-517-2019-30-1902.04989"/></url>
<url><loc>https://scifaro.com/en/abs/an-extension-of-the-fewest-switches-surface-hopping-algorithm-to-complex-hamiltonians-and-photophysics-in-magnetic-fields-berry-s-phase-and-magnetic-forces-1902.05115</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-extension-of-the-fewest-switches-surface-hopping-algorithm-to-complex-hamiltonians-and-photophysics-in-magnetic-fields-berry-s-phase-and-magnetic-forces-1902.05115"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-extension-of-the-fewest-switches-surface-hopping-algorithm-to-complex-hamiltonians-and-photophysics-in-magnetic-fields-berry-s-phase-and-magnetic-forces-1902.05115"/></url>
<url><loc>https://scifaro.com/en/abs/unsupervised-machine-learning-in-atomistic-simulations-between-predictions-and-understanding-1902.05158</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unsupervised-machine-learning-in-atomistic-simulations-between-predictions-and-understanding-1902.05158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unsupervised-machine-learning-in-atomistic-simulations-between-predictions-and-understanding-1902.05158"/></url>
<url><loc>https://scifaro.com/en/abs/new-universal-lyapunov-functions-for-non-linear-reaction-networks-1902.05351</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-universal-lyapunov-functions-for-non-linear-reaction-networks-1902.05351"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-universal-lyapunov-functions-for-non-linear-reaction-networks-1902.05351"/></url>
<url><loc>https://scifaro.com/en/abs/diagnosis-of-two-evaluation-paths-to-density-based-descriptors-of-molecular-electronic-transitions-1902.05840</loc><lastmod>2021-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diagnosis-of-two-evaluation-paths-to-density-based-descriptors-of-molecular-electronic-transitions-1902.05840"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diagnosis-of-two-evaluation-paths-to-density-based-descriptors-of-molecular-electronic-transitions-1902.05840"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-enthalpy-for-nitrogen-gas-revised-1902.06167</loc><lastmod>2019-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-enthalpy-for-nitrogen-gas-revised-1902.06167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-enthalpy-for-nitrogen-gas-revised-1902.06167"/></url>
<url><loc>https://scifaro.com/en/abs/unravelling-the-contribution-of-local-structures-to-the-anomalies-of-water-the-synergistic-action-of-several-factors-1902.06270</loc><lastmod>2019-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unravelling-the-contribution-of-local-structures-to-the-anomalies-of-water-the-synergistic-action-of-several-factors-1902.06270"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unravelling-the-contribution-of-local-structures-to-the-anomalies-of-water-the-synergistic-action-of-several-factors-1902.06270"/></url>
<url><loc>https://scifaro.com/en/abs/a-local-perspective-on-conjugation-of-double-bonds-in-acyclic-polyenes-1902.06528</loc><lastmod>2019-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-local-perspective-on-conjugation-of-double-bonds-in-acyclic-polyenes-1902.06528"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-local-perspective-on-conjugation-of-double-bonds-in-acyclic-polyenes-1902.06528"/></url>
<url><loc>https://scifaro.com/en/abs/gas-phase-structural-isomer-identification-by-coulomb-explosion-of-aligned-molecules-1902.06974</loc><lastmod>2019-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gas-phase-structural-isomer-identification-by-coulomb-explosion-of-aligned-molecules-1902.06974"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gas-phase-structural-isomer-identification-by-coulomb-explosion-of-aligned-molecules-1902.06974"/></url>
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<url><loc>https://scifaro.com/en/abs/simulation-of-many-electron-systems-that-exchange-matter-with-the-environment-1902.07523</loc><lastmod>2019-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulation-of-many-electron-systems-that-exchange-matter-with-the-environment-1902.07523"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulation-of-many-electron-systems-that-exchange-matter-with-the-environment-1902.07523"/></url>
<url><loc>https://scifaro.com/en/abs/van-der-waals-interactions-in-dft-using-wannier-functions-without-empirical-parameters-1902.07646</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/van-der-waals-interactions-in-dft-using-wannier-functions-without-empirical-parameters-1902.07646"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/van-der-waals-interactions-in-dft-using-wannier-functions-without-empirical-parameters-1902.07646"/></url>
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<url><loc>https://scifaro.com/en/abs/intrinsic-fluctuations-of-chemical-reactions-with-different-approaches-1902.07875</loc><lastmod>2019-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrinsic-fluctuations-of-chemical-reactions-with-different-approaches-1902.07875"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrinsic-fluctuations-of-chemical-reactions-with-different-approaches-1902.07875"/></url>
<url><loc>https://scifaro.com/en/abs/crystallisation-from-volatile-deep-eutectic-solvents-1902.08376</loc><lastmod>2020-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crystallisation-from-volatile-deep-eutectic-solvents-1902.08376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crystallisation-from-volatile-deep-eutectic-solvents-1902.08376"/></url>
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<url><loc>https://scifaro.com/en/abs/zinc-electrode-shape-change-in-secondary-air-batteries-a-2d-modeling-approach-1903.00382</loc><lastmod>2019-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zinc-electrode-shape-change-in-secondary-air-batteries-a-2d-modeling-approach-1903.00382"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zinc-electrode-shape-change-in-secondary-air-batteries-a-2d-modeling-approach-1903.00382"/></url>
<url><loc>https://scifaro.com/en/abs/stretched-or-noded-orbital-densities-and-self-interaction-correction-in-density-functional-theory-1903.00611</loc><lastmod>2019-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stretched-or-noded-orbital-densities-and-self-interaction-correction-in-density-functional-theory-1903.00611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stretched-or-noded-orbital-densities-and-self-interaction-correction-in-density-functional-theory-1903.00611"/></url>
<url><loc>https://scifaro.com/en/abs/interactions-of-benzene-naphthalene-and-azulene-with-alkali-metal-and-alkaline-earth-metal-atoms-for-ultracold-studies-1903.01378</loc><lastmod>2019-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interactions-of-benzene-naphthalene-and-azulene-with-alkali-metal-and-alkaline-earth-metal-atoms-for-ultracold-studies-1903.01378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interactions-of-benzene-naphthalene-and-azulene-with-alkali-metal-and-alkaline-earth-metal-atoms-for-ultracold-studies-1903.01378"/></url>
<url><loc>https://scifaro.com/en/abs/martini-based-coarse-grained-model-for-poly-alpha-peptoid-s-1903.01975</loc><lastmod>2019-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/martini-based-coarse-grained-model-for-poly-alpha-peptoid-s-1903.01975"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/martini-based-coarse-grained-model-for-poly-alpha-peptoid-s-1903.01975"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-potential-of-integer-electron-systems-1903.02170</loc><lastmod>2019-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-potential-of-integer-electron-systems-1903.02170"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-potential-of-integer-electron-systems-1903.02170"/></url>
<url><loc>https://scifaro.com/en/abs/rotation-assisted-wet-spinning-of-uv-cured-gelatin-fibres-and-nonwovens-1903.02235</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotation-assisted-wet-spinning-of-uv-cured-gelatin-fibres-and-nonwovens-1903.02235"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotation-assisted-wet-spinning-of-uv-cured-gelatin-fibres-and-nonwovens-1903.02235"/></url>
<url><loc>https://scifaro.com/en/abs/black-phosphorus-palladium-nanohybrid-unraveling-the-nature-of-p-pd-interaction-and-application-in-selective-hydrogenation-1903.02363</loc><lastmod>2019-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/black-phosphorus-palladium-nanohybrid-unraveling-the-nature-of-p-pd-interaction-and-application-in-selective-hydrogenation-1903.02363"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/black-phosphorus-palladium-nanohybrid-unraveling-the-nature-of-p-pd-interaction-and-application-in-selective-hydrogenation-1903.02363"/></url>
<url><loc>https://scifaro.com/en/abs/evaluating-0-0-energies-with-theoretical-tools-a-short-review-1903.02450</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaluating-0-0-energies-with-theoretical-tools-a-short-review-1903.02450"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaluating-0-0-energies-with-theoretical-tools-a-short-review-1903.02450"/></url>
<url><loc>https://scifaro.com/en/abs/steady-state-theory-of-interdigitated-array-of-electrodes-in-confined-spaces-case-of-pure-diffusion-and-reversible-electrode-reactions-1903.02727</loc><lastmod>2019-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steady-state-theory-of-interdigitated-array-of-electrodes-in-confined-spaces-case-of-pure-diffusion-and-reversible-electrode-reactions-1903.02727"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steady-state-theory-of-interdigitated-array-of-electrodes-in-confined-spaces-case-of-pure-diffusion-and-reversible-electrode-reactions-1903.02727"/></url>
<url><loc>https://scifaro.com/en/abs/zmp-sapt-dft-sapt-using-ab-initio-densities-1903.03350</loc><lastmod>2019-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zmp-sapt-dft-sapt-using-ab-initio-densities-1903.03350"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zmp-sapt-dft-sapt-using-ab-initio-densities-1903.03350"/></url>
<url><loc>https://scifaro.com/en/abs/anisotropy-control-in-photoelectron-spectra-a-coherent-two-pulse-interference-strategy-1903.04198</loc><lastmod>2019-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anisotropy-control-in-photoelectron-spectra-a-coherent-two-pulse-interference-strategy-1903.04198"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anisotropy-control-in-photoelectron-spectra-a-coherent-two-pulse-interference-strategy-1903.04198"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-spectroscopy-of-isolated-dna-polyanions-1903.04412</loc><lastmod>2019-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-spectroscopy-of-isolated-dna-polyanions-1903.04412"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-spectroscopy-of-isolated-dna-polyanions-1903.04412"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-methyl-trosy-effect-over-a-wide-range-of-magnetic-fields-1903.04452</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-methyl-trosy-effect-over-a-wide-range-of-magnetic-fields-1903.04452"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-methyl-trosy-effect-over-a-wide-range-of-magnetic-fields-1903.04452"/></url>
<url><loc>https://scifaro.com/en/abs/few-layer-2d-pnictogens-catalyze-the-alkylation-of-soft-nucleophiles-with-esters-1903.04776</loc><lastmod>2019-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/few-layer-2d-pnictogens-catalyze-the-alkylation-of-soft-nucleophiles-with-esters-1903.04776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/few-layer-2d-pnictogens-catalyze-the-alkylation-of-soft-nucleophiles-with-esters-1903.04776"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-geometric-integrators-for-nonadiabatic-quantum-dynamics-ii-the-diabatic-representation-1903.04946</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-geometric-integrators-for-nonadiabatic-quantum-dynamics-ii-the-diabatic-representation-1903.04946"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-geometric-integrators-for-nonadiabatic-quantum-dynamics-ii-the-diabatic-representation-1903.04946"/></url>
<url><loc>https://scifaro.com/en/abs/particle-particle-ladder-based-basis-set-corrections-applied-to-atoms-and-molecules-using-coupled-cluster-theory-1903.05559</loc><lastmod>2019-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/particle-particle-ladder-based-basis-set-corrections-applied-to-atoms-and-molecules-using-coupled-cluster-theory-1903.05559"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/particle-particle-ladder-based-basis-set-corrections-applied-to-atoms-and-molecules-using-coupled-cluster-theory-1903.05559"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-gradients-for-projection-based-wavefunction-in-dft-embedding-1903.05830</loc><lastmod>2019-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-gradients-for-projection-based-wavefunction-in-dft-embedding-1903.05830"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-gradients-for-projection-based-wavefunction-in-dft-embedding-1903.05830"/></url>
<url><loc>https://scifaro.com/en/abs/nanoscale-domains-in-ionic-liquids-a-statistical-mechanics-definition-for-molecular-dynamics-studies-1903.05902</loc><lastmod>2019-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanoscale-domains-in-ionic-liquids-a-statistical-mechanics-definition-for-molecular-dynamics-studies-1903.05902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanoscale-domains-in-ionic-liquids-a-statistical-mechanics-definition-for-molecular-dynamics-studies-1903.05902"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-formalization-of-asynchronous-first-passage-algorithms-1903.06040</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-formalization-of-asynchronous-first-passage-algorithms-1903.06040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-formalization-of-asynchronous-first-passage-algorithms-1903.06040"/></url>
<url><loc>https://scifaro.com/en/abs/explicitly-correlated-wavefunctions-of-the-ground-state-and-the-lowest-quintuplet-state-of-the-carbon-atom-1903.06051</loc><lastmod>2020-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explicitly-correlated-wavefunctions-of-the-ground-state-and-the-lowest-quintuplet-state-of-the-carbon-atom-1903.06051"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explicitly-correlated-wavefunctions-of-the-ground-state-and-the-lowest-quintuplet-state-of-the-carbon-atom-1903.06051"/></url>
<url><loc>https://scifaro.com/en/abs/post-graphene-2d-chemistry-the-emerging-field-of-molybdenum-disulfide-and-black-phosphorus-functionalization-1903.06460</loc><lastmod>2019-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/post-graphene-2d-chemistry-the-emerging-field-of-molybdenum-disulfide-and-black-phosphorus-functionalization-1903.06460"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/post-graphene-2d-chemistry-the-emerging-field-of-molybdenum-disulfide-and-black-phosphorus-functionalization-1903.06460"/></url>
<url><loc>https://scifaro.com/en/abs/user-manual-for-molscat-bound-and-field-version-2025-0-programs-for-quantum-scattering-properties-and-bound-states-of-interacting-pairs-of-atoms-and-molecules-1903.06755</loc><lastmod>2025-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/user-manual-for-molscat-bound-and-field-version-2025-0-programs-for-quantum-scattering-properties-and-bound-states-of-interacting-pairs-of-atoms-and-molecules-1903.06755"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/user-manual-for-molscat-bound-and-field-version-2025-0-programs-for-quantum-scattering-properties-and-bound-states-of-interacting-pairs-of-atoms-and-molecules-1903.06755"/></url>
<url><loc>https://scifaro.com/en/abs/controlled-enantioselective-orientation-of-chiral-molecules-with-an-optical-centrifuge-1903.06878</loc><lastmod>2019-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlled-enantioselective-orientation-of-chiral-molecules-with-an-optical-centrifuge-1903.06878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlled-enantioselective-orientation-of-chiral-molecules-with-an-optical-centrifuge-1903.06878"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-distinguishable-cluster-approximation-for-triple-excitations-1903.06932</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-distinguishable-cluster-approximation-for-triple-excitations-1903.06932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-distinguishable-cluster-approximation-for-triple-excitations-1903.06932"/></url>
<url><loc>https://scifaro.com/en/abs/state-dependent-ring-polymer-molecular-dynamics-for-investigating-excited-nonadiabatic-dynamics-1903.06953</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-dependent-ring-polymer-molecular-dynamics-for-investigating-excited-nonadiabatic-dynamics-1903.06953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-dependent-ring-polymer-molecular-dynamics-for-investigating-excited-nonadiabatic-dynamics-1903.06953"/></url>
<url><loc>https://scifaro.com/en/abs/invariant-manifolds-and-rate-constants-in-driven-chemical-reactions-1903.06966</loc><lastmod>2019-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/invariant-manifolds-and-rate-constants-in-driven-chemical-reactions-1903.06966"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/invariant-manifolds-and-rate-constants-in-driven-chemical-reactions-1903.06966"/></url>
<url><loc>https://scifaro.com/en/abs/lead-geometry-and-transport-statistics-in-molecular-junctions-1903.07361</loc><lastmod>2019-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lead-geometry-and-transport-statistics-in-molecular-junctions-1903.07361"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lead-geometry-and-transport-statistics-in-molecular-junctions-1903.07361"/></url>
<url><loc>https://scifaro.com/en/abs/dual-comb-spectroscopy-for-high-temperature-reaction-kinetics-1903.07578</loc><lastmod>2020-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dual-comb-spectroscopy-for-high-temperature-reaction-kinetics-1903.07578"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dual-comb-spectroscopy-for-high-temperature-reaction-kinetics-1903.07578"/></url>
<url><loc>https://scifaro.com/en/abs/confined-h-1s-and-h-2p-under-different-geometries-1903.07945</loc><lastmod>2019-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/confined-h-1s-and-h-2p-under-different-geometries-1903.07945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/confined-h-1s-and-h-2p-under-different-geometries-1903.07945"/></url>
<url><loc>https://scifaro.com/en/abs/linear-response-range-separated-density-functional-theory-for-atomic-photoexcitation-and-photoionization-spectra-1903.08369</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-response-range-separated-density-functional-theory-for-atomic-photoexcitation-and-photoionization-spectra-1903.08369"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-response-range-separated-density-functional-theory-for-atomic-photoexcitation-and-photoionization-spectra-1903.08369"/></url>
<url><loc>https://scifaro.com/en/abs/interfacing-crystal-amber-to-optimize-qm-mm-lennard-jones-parameters-for-water-and-to-study-solvation-of-tio2-nanoparticles-1903.08380</loc><lastmod>2019-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interfacing-crystal-amber-to-optimize-qm-mm-lennard-jones-parameters-for-water-and-to-study-solvation-of-tio2-nanoparticles-1903.08380"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interfacing-crystal-amber-to-optimize-qm-mm-lennard-jones-parameters-for-water-and-to-study-solvation-of-tio2-nanoparticles-1903.08380"/></url>
<url><loc>https://scifaro.com/en/abs/echo-in-a-single-molecule-1903.08451</loc><lastmod>2020-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/echo-in-a-single-molecule-1903.08451"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/echo-in-a-single-molecule-1903.08451"/></url>
<url><loc>https://scifaro.com/en/abs/mathcal-pt-symmetry-in-hartree-fock-theory-1903.08489</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathcal-pt-symmetry-in-hartree-fock-theory-1903.08489"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathcal-pt-symmetry-in-hartree-fock-theory-1903.08489"/></url>
<url><loc>https://scifaro.com/en/abs/thioethyl-porphyrazine-nanocarbon-hybrids-for-photoinduced-electron-transfer-1903.08944</loc><lastmod>2019-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thioethyl-porphyrazine-nanocarbon-hybrids-for-photoinduced-electron-transfer-1903.08944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thioethyl-porphyrazine-nanocarbon-hybrids-for-photoinduced-electron-transfer-1903.08944"/></url>
<url><loc>https://scifaro.com/en/abs/non-covalent-quantum-machine-learning-corrections-to-density-functionals-1903.09010</loc><lastmod>2021-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-covalent-quantum-machine-learning-corrections-to-density-functionals-1903.09010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-covalent-quantum-machine-learning-corrections-to-density-functionals-1903.09010"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-exotic-water-in-hydrophilic-nanospace-of-porous-coordination-polymers-1903.09432</loc><lastmod>2020-03-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-exotic-water-in-hydrophilic-nanospace-of-porous-coordination-polymers-1903.09432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-exotic-water-in-hydrophilic-nanospace-of-porous-coordination-polymers-1903.09432"/></url>
<url><loc>https://scifaro.com/en/abs/divide-and-conquer-method-for-instanton-rate-theory-1903.09504</loc><lastmod>2019-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/divide-and-conquer-method-for-instanton-rate-theory-1903.09504"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/divide-and-conquer-method-for-instanton-rate-theory-1903.09504"/></url>
<url><loc>https://scifaro.com/en/abs/guaranteed-convergence-of-a-regularized-kohn-sham-iteration-in-finite-dimensions-1903.09579</loc><lastmod>2020-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/guaranteed-convergence-of-a-regularized-kohn-sham-iteration-in-finite-dimensions-1903.09579"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/guaranteed-convergence-of-a-regularized-kohn-sham-iteration-in-finite-dimensions-1903.09579"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-construction-of-generalized-master-equation-memory-kernels-for-multi-state-systems-from-nonadiabatic-quantum-classical-dynamics-1903.09608</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-construction-of-generalized-master-equation-memory-kernels-for-multi-state-systems-from-nonadiabatic-quantum-classical-dynamics-1903.09608"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-construction-of-generalized-master-equation-memory-kernels-for-multi-state-systems-from-nonadiabatic-quantum-classical-dynamics-1903.09608"/></url>
<url><loc>https://scifaro.com/en/abs/bulk-viscosity-of-co-2-from-rayleigh-brillouin-lightscattering-spectroscopy-at-532-nm-1903.09633</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bulk-viscosity-of-co-2-from-rayleigh-brillouin-lightscattering-spectroscopy-at-532-nm-1903.09633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bulk-viscosity-of-co-2-from-rayleigh-brillouin-lightscattering-spectroscopy-at-532-nm-1903.09633"/></url>
<url><loc>https://scifaro.com/en/abs/a-challenge-to-the-delta-g-0-interpretation-of-hydrogen-evolution-1903.09903</loc><lastmod>2023-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-challenge-to-the-delta-g-0-interpretation-of-hydrogen-evolution-1903.09903"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-challenge-to-the-delta-g-0-interpretation-of-hydrogen-evolution-1903.09903"/></url>
<url><loc>https://scifaro.com/en/abs/relationship-between-macrostep-height-and-surface-velocity-for-a-reaction-limited-crystal-growth-process-1903.09929</loc><lastmod>2019-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relationship-between-macrostep-height-and-surface-velocity-for-a-reaction-limited-crystal-growth-process-1903.09929"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relationship-between-macrostep-height-and-surface-velocity-for-a-reaction-limited-crystal-growth-process-1903.09929"/></url>
<url><loc>https://scifaro.com/en/abs/design-and-fabrication-of-an-ultra-low-noise-ag-agcl-electrode-1903.10311</loc><lastmod>2019-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/design-and-fabrication-of-an-ultra-low-noise-ag-agcl-electrode-1903.10311"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/design-and-fabrication-of-an-ultra-low-noise-ag-agcl-electrode-1903.10311"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-dynamics-of-phenylphenanthrenes-with-phenyl-group-at-different-positions-1903.10397</loc><lastmod>2019-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-dynamics-of-phenylphenanthrenes-with-phenyl-group-at-different-positions-1903.10397"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-dynamics-of-phenylphenanthrenes-with-phenyl-group-at-different-positions-1903.10397"/></url>
<url><loc>https://scifaro.com/en/abs/rational-strain-engineering-in-delafossite-oxides-for-highly-efficient-hydrogen-evolution-catalysis-in-acidic-media-1903.10576</loc><lastmod>2021-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rational-strain-engineering-in-delafossite-oxides-for-highly-efficient-hydrogen-evolution-catalysis-in-acidic-media-1903.10576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rational-strain-engineering-in-delafossite-oxides-for-highly-efficient-hydrogen-evolution-catalysis-in-acidic-media-1903.10576"/></url>
<url><loc>https://scifaro.com/en/abs/all-electron-quantum-monte-carlo-with-jastrow-single-determinant-ansatz-application-to-the-sodium-dimer-1903.10731</loc><lastmod>2020-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/all-electron-quantum-monte-carlo-with-jastrow-single-determinant-ansatz-application-to-the-sodium-dimer-1903.10731"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/all-electron-quantum-monte-carlo-with-jastrow-single-determinant-ansatz-application-to-the-sodium-dimer-1903.10731"/></url>
<url><loc>https://scifaro.com/en/abs/insight-into-hydrogen-production-through-molecular-simulation-of-an-electrode-ionomer-electrolyte-system-1903.11213</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/insight-into-hydrogen-production-through-molecular-simulation-of-an-electrode-ionomer-electrolyte-system-1903.11213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/insight-into-hydrogen-production-through-molecular-simulation-of-an-electrode-ionomer-electrolyte-system-1903.11213"/></url>
<url><loc>https://scifaro.com/en/abs/two-single-reference-approaches-to-singlet-biradicaloid-problems-complex-restricted-orbitals-and-approximate-spin-projection-combined-with-regularized-orbital-optimized-m-o-ller-plesset-perturbation-theory-1903.11225</loc><lastmod>2019-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-single-reference-approaches-to-singlet-biradicaloid-problems-complex-restricted-orbitals-and-approximate-spin-projection-combined-with-regularized-orbital-optimized-m-o-ller-plesset-perturbation-theory-1903.11225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-single-reference-approaches-to-singlet-biradicaloid-problems-complex-restricted-orbitals-and-approximate-spin-projection-combined-with-regularized-orbital-optimized-m-o-ller-plesset-perturbation-theory-1903.11225"/></url>
<url><loc>https://scifaro.com/en/abs/plasmonic-bubbles-in-n-alkanes-1903.11553</loc><lastmod>2019-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/plasmonic-bubbles-in-n-alkanes-1903.11553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/plasmonic-bubbles-in-n-alkanes-1903.11553"/></url>
<url><loc>https://scifaro.com/en/abs/first-principle-study-of-adsorption-and-desorption-of-chlorine-on-cu-111-surface-does-chlorine-or-copper-chloride-desorb-1903.11557</loc><lastmod>2019-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principle-study-of-adsorption-and-desorption-of-chlorine-on-cu-111-surface-does-chlorine-or-copper-chloride-desorb-1903.11557"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principle-study-of-adsorption-and-desorption-of-chlorine-on-cu-111-surface-does-chlorine-or-copper-chloride-desorb-1903.11557"/></url>
<url><loc>https://scifaro.com/en/abs/improving-the-efficiency-of-the-multireference-driven-similarity-renormalization-group-via-sequential-transformation-density-fitting-and-the-non-interacting-virtual-orbital-approximation-1903.11637</loc><lastmod>2019-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-the-efficiency-of-the-multireference-driven-similarity-renormalization-group-via-sequential-transformation-density-fitting-and-the-non-interacting-virtual-orbital-approximation-1903.11637"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-the-efficiency-of-the-multireference-driven-similarity-renormalization-group-via-sequential-transformation-density-fitting-and-the-non-interacting-virtual-orbital-approximation-1903.11637"/></url>
<url><loc>https://scifaro.com/en/abs/speed-of-sound-of-pure-water-to-700-mpa-and-an-equation-of-state-to-2300-mpa-1903.11730</loc><lastmod>2019-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speed-of-sound-of-pure-water-to-700-mpa-and-an-equation-of-state-to-2300-mpa-1903.11730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speed-of-sound-of-pure-water-to-700-mpa-and-an-equation-of-state-to-2300-mpa-1903.11730"/></url>
<url><loc>https://scifaro.com/en/abs/phonon-propagation-scale-and-nanoscale-order-in-vitreous-silica-from-raman-spectroscopy-1903.11963</loc><lastmod>2019-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phonon-propagation-scale-and-nanoscale-order-in-vitreous-silica-from-raman-spectroscopy-1903.11963"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phonon-propagation-scale-and-nanoscale-order-in-vitreous-silica-from-raman-spectroscopy-1903.11963"/></url>
<url><loc>https://scifaro.com/en/abs/nanoscale-chemical-reaction-imaging-at-the-solid-liquid-interface-via-ters-1903.12052</loc><lastmod>2019-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanoscale-chemical-reaction-imaging-at-the-solid-liquid-interface-via-ters-1903.12052"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanoscale-chemical-reaction-imaging-at-the-solid-liquid-interface-via-ters-1903.12052"/></url>
<url><loc>https://scifaro.com/en/abs/fractional-charge-by-fixed-node-diffusion-monte-carlo-1903.12378</loc><lastmod>2019-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fractional-charge-by-fixed-node-diffusion-monte-carlo-1903.12378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fractional-charge-by-fixed-node-diffusion-monte-carlo-1903.12378"/></url>
<url><loc>https://scifaro.com/en/abs/effective-non-adiabatic-hamiltonians-for-the-quantum-nuclear-motion-over-coupled-electronic-states-1904.00042</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effective-non-adiabatic-hamiltonians-for-the-quantum-nuclear-motion-over-coupled-electronic-states-1904.00042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effective-non-adiabatic-hamiltonians-for-the-quantum-nuclear-motion-over-coupled-electronic-states-1904.00042"/></url>
<url><loc>https://scifaro.com/en/abs/autocas-a-program-for-fully-automated-multi-configurational-calculations-1904.00097</loc><lastmod>2019-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autocas-a-program-for-fully-automated-multi-configurational-calculations-1904.00097"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autocas-a-program-for-fully-automated-multi-configurational-calculations-1904.00097"/></url>
<url><loc>https://scifaro.com/en/abs/an-equation-for-the-isosbestic-point-wavelength-in-aqueous-solutions-of-electrolytes-1904.00628</loc><lastmod>2019-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-equation-for-the-isosbestic-point-wavelength-in-aqueous-solutions-of-electrolytes-1904.00628"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-equation-for-the-isosbestic-point-wavelength-in-aqueous-solutions-of-electrolytes-1904.00628"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-pseudopotentials-on-excitation-energies-from-selected-configuration-interaction-and-diffusion-monte-carlo-1904.00678</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-pseudopotentials-on-excitation-energies-from-selected-configuration-interaction-and-diffusion-monte-carlo-1904.00678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-pseudopotentials-on-excitation-energies-from-selected-configuration-interaction-and-diffusion-monte-carlo-1904.00678"/></url>
<url><loc>https://scifaro.com/en/abs/long-term-trapping-of-cold-polar-molecules-1904.00713</loc><lastmod>2019-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-term-trapping-of-cold-polar-molecules-1904.00713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-term-trapping-of-cold-polar-molecules-1904.00713"/></url>
<url><loc>https://scifaro.com/en/abs/adversarial-residual-coarse-graining-applying-machine-learning-theory-to-systematic-molecular-coarse-graining-1904.00871</loc><lastmod>2020-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adversarial-residual-coarse-graining-applying-machine-learning-theory-to-systematic-molecular-coarse-graining-1904.00871"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adversarial-residual-coarse-graining-applying-machine-learning-theory-to-systematic-molecular-coarse-graining-1904.00871"/></url>
<url><loc>https://scifaro.com/en/abs/an-atomistic-machine-learning-package-for-surface-science-and-catalysis-1904.00904</loc><lastmod>2019-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-atomistic-machine-learning-package-for-surface-science-and-catalysis-1904.00904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-atomistic-machine-learning-package-for-surface-science-and-catalysis-1904.00904"/></url>
<url><loc>https://scifaro.com/en/abs/high-strength-cellulose-polyacrylamide-hydrogels-mechanical-behavior-and-structure-depending-on-the-type-of-cellulose-1904.00988</loc><lastmod>2019-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-strength-cellulose-polyacrylamide-hydrogels-mechanical-behavior-and-structure-depending-on-the-type-of-cellulose-1904.00988"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-strength-cellulose-polyacrylamide-hydrogels-mechanical-behavior-and-structure-depending-on-the-type-of-cellulose-1904.00988"/></url>
<url><loc>https://scifaro.com/en/abs/spherically-confined-h-2-2-sigma-g-and-2-sigma-u-states-1904.01299</loc><lastmod>2019-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spherically-confined-h-2-2-sigma-g-and-2-sigma-u-states-1904.01299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spherically-confined-h-2-2-sigma-g-and-2-sigma-u-states-1904.01299"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-states-of-confined-hydrogen-plasma-species-monte-carlo-calculations-1904.01309</loc><lastmod>2019-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-states-of-confined-hydrogen-plasma-species-monte-carlo-calculations-1904.01309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-states-of-confined-hydrogen-plasma-species-monte-carlo-calculations-1904.01309"/></url>
<url><loc>https://scifaro.com/en/abs/monte-carlo-calculation-of-the-potential-energy-surface-for-octahedral-confined-h-2-1904.01319</loc><lastmod>2019-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monte-carlo-calculation-of-the-potential-energy-surface-for-octahedral-confined-h-2-1904.01319"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monte-carlo-calculation-of-the-potential-energy-surface-for-octahedral-confined-h-2-1904.01319"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-excitation-energies-from-ground-state-density-functional-theory-calculations-1904.01478</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-excitation-energies-from-ground-state-density-functional-theory-calculations-1904.01478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-excitation-energies-from-ground-state-density-functional-theory-calculations-1904.01478"/></url>
<url><loc>https://scifaro.com/en/abs/diffractive-imaging-of-dissociation-and-ground-state-dynamics-in-a-complex-molecule-1904.01515</loc><lastmod>2019-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffractive-imaging-of-dissociation-and-ground-state-dynamics-in-a-complex-molecule-1904.01515"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffractive-imaging-of-dissociation-and-ground-state-dynamics-in-a-complex-molecule-1904.01515"/></url>
<url><loc>https://scifaro.com/en/abs/atomic-scale-representation-and-statistical-learning-of-tensorial-properties-1904.01623</loc><lastmod>2019-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomic-scale-representation-and-statistical-learning-of-tensorial-properties-1904.01623"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomic-scale-representation-and-statistical-learning-of-tensorial-properties-1904.01623"/></url>
<url><loc>https://scifaro.com/en/abs/phytochemical-study-and-evaluation-of-the-cytotoxic-properties-of-methanolic-extract-from-baccharis-obtusifolia-1904.01666</loc><lastmod>2019-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phytochemical-study-and-evaluation-of-the-cytotoxic-properties-of-methanolic-extract-from-baccharis-obtusifolia-1904.01666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phytochemical-study-and-evaluation-of-the-cytotoxic-properties-of-methanolic-extract-from-baccharis-obtusifolia-1904.01666"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-chain-of-states-approach-for-locating-transition-state-via-spherical-optimization-1904.01924</loc><lastmod>2019-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-chain-of-states-approach-for-locating-transition-state-via-spherical-optimization-1904.01924"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-chain-of-states-approach-for-locating-transition-state-via-spherical-optimization-1904.01924"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-quantum-chemical-free-energies-at-affordable-cost-1904.02004</loc><lastmod>2019-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-quantum-chemical-free-energies-at-affordable-cost-1904.02004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-quantum-chemical-free-energies-at-affordable-cost-1904.02004"/></url>
<url><loc>https://scifaro.com/en/abs/the-mgco-3-caco-3-li-2-co-3-na-2-co-3-k-2-co-3-carbonate-melts-thermodynamics-and-transport-properties-by-atomistic-simulations-1904.02430</loc><lastmod>2019-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-mgco-3-caco-3-li-2-co-3-na-2-co-3-k-2-co-3-carbonate-melts-thermodynamics-and-transport-properties-by-atomistic-simulations-1904.02430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-mgco-3-caco-3-li-2-co-3-na-2-co-3-k-2-co-3-carbonate-melts-thermodynamics-and-transport-properties-by-atomistic-simulations-1904.02430"/></url>
<url><loc>https://scifaro.com/en/abs/robust-and-accurate-computational-estimation-of-the-polarizability-tensors-of-macromolecules-1904.02504</loc><lastmod>2019-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-and-accurate-computational-estimation-of-the-polarizability-tensors-of-macromolecules-1904.02504"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-and-accurate-computational-estimation-of-the-polarizability-tensors-of-macromolecules-1904.02504"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-detailed-balance-for-an-electron-radiation-system-through-mixed-quantum-classical-electrodynamics-1904.02742</loc><lastmod>2019-07-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-detailed-balance-for-an-electron-radiation-system-through-mixed-quantum-classical-electrodynamics-1904.02742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-detailed-balance-for-an-electron-radiation-system-through-mixed-quantum-classical-electrodynamics-1904.02742"/></url>
<url><loc>https://scifaro.com/en/abs/complementary-vibrational-spectroscopy-1904.02857</loc><lastmod>2019-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complementary-vibrational-spectroscopy-1904.02857"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complementary-vibrational-spectroscopy-1904.02857"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-approach-to-the-study-of-anharmonicity-in-the-infrared-spectrum-of-pyrene-from-14-to-723-k-1904.02899</loc><lastmod>2019-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-approach-to-the-study-of-anharmonicity-in-the-infrared-spectrum-of-pyrene-from-14-to-723-k-1904.02899"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-approach-to-the-study-of-anharmonicity-in-the-infrared-spectrum-of-pyrene-from-14-to-723-k-1904.02899"/></url>
<url><loc>https://scifaro.com/en/abs/the-effect-of-nafion-film-on-the-cathode-catalyst-layer-performance-in-a-low-pt-pem-fuel-cell-1904.03155</loc><lastmod>2019-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effect-of-nafion-film-on-the-cathode-catalyst-layer-performance-in-a-low-pt-pem-fuel-cell-1904.03155"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effect-of-nafion-film-on-the-cathode-catalyst-layer-performance-in-a-low-pt-pem-fuel-cell-1904.03155"/></url>
<url><loc>https://scifaro.com/en/abs/constriction-percolation-model-for-coupled-diffusion-reaction-corrosion-of-zirconium-in-pwr-1904.03344</loc><lastmod>2019-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/constriction-percolation-model-for-coupled-diffusion-reaction-corrosion-of-zirconium-in-pwr-1904.03344"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/constriction-percolation-model-for-coupled-diffusion-reaction-corrosion-of-zirconium-in-pwr-1904.03344"/></url>
<url><loc>https://scifaro.com/en/abs/how-crystals-form-a-theory-of-nucleation-pathways-1904.03630</loc><lastmod>2019-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-crystals-form-a-theory-of-nucleation-pathways-1904.03630"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-crystals-form-a-theory-of-nucleation-pathways-1904.03630"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-confinement-effects-for-semiconductor-clusters-in-the-molecular-regime-1904.03666</loc><lastmod>2019-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-confinement-effects-for-semiconductor-clusters-in-the-molecular-regime-1904.03666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-confinement-effects-for-semiconductor-clusters-in-the-molecular-regime-1904.03666"/></url>
<url><loc>https://scifaro.com/en/abs/brine-rejection-and-hydrate-formation-upon-freezing-of-nacl-aqueous-solutions-1904.03682</loc><lastmod>2020-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/brine-rejection-and-hydrate-formation-upon-freezing-of-nacl-aqueous-solutions-1904.03682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/brine-rejection-and-hydrate-formation-upon-freezing-of-nacl-aqueous-solutions-1904.03682"/></url>
<url><loc>https://scifaro.com/en/abs/bayesian-machine-learning-for-quantum-molecular-dynamics-1904.03730</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bayesian-machine-learning-for-quantum-molecular-dynamics-1904.03730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bayesian-machine-learning-for-quantum-molecular-dynamics-1904.03730"/></url>
<url><loc>https://scifaro.com/en/abs/entangled-photon-resonance-energy-transfer-in-arbitrary-media-1904.03806</loc><lastmod>2019-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entangled-photon-resonance-energy-transfer-in-arbitrary-media-1904.03806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entangled-photon-resonance-energy-transfer-in-arbitrary-media-1904.03806"/></url>
<url><loc>https://scifaro.com/en/abs/towards-breaking-the-curse-of-dimensionality-in-ro-vibrational-computations-of-molecular-systems-with-multiple-large-amplitude-motions-1904.04588</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-breaking-the-curse-of-dimensionality-in-ro-vibrational-computations-of-molecular-systems-with-multiple-large-amplitude-motions-1904.04588"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-breaking-the-curse-of-dimensionality-in-ro-vibrational-computations-of-molecular-systems-with-multiple-large-amplitude-motions-1904.04588"/></url>
<url><loc>https://scifaro.com/en/abs/corrosion-studies-on-fe-30mn-1c-alloy-in-chloridecontaining-solutions-with-view-to-biomedical-application-1904.04611</loc><lastmod>2019-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/corrosion-studies-on-fe-30mn-1c-alloy-in-chloridecontaining-solutions-with-view-to-biomedical-application-1904.04611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/corrosion-studies-on-fe-30mn-1c-alloy-in-chloridecontaining-solutions-with-view-to-biomedical-application-1904.04611"/></url>
<url><loc>https://scifaro.com/en/abs/catalytic-upgrading-of-hydrothermal-liquefaction-biocrudes-different-challenges-for-different-feedstocks-1904.04629</loc><lastmod>2019-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catalytic-upgrading-of-hydrothermal-liquefaction-biocrudes-different-challenges-for-different-feedstocks-1904.04629"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catalytic-upgrading-of-hydrothermal-liquefaction-biocrudes-different-challenges-for-different-feedstocks-1904.04629"/></url>
<url><loc>https://scifaro.com/en/abs/isotope-effects-in-liquid-water-via-deep-potential-molecular-dynamics-1904.04930</loc><lastmod>2019-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isotope-effects-in-liquid-water-via-deep-potential-molecular-dynamics-1904.04930"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isotope-effects-in-liquid-water-via-deep-potential-molecular-dynamics-1904.04930"/></url>
<url><loc>https://scifaro.com/en/abs/frozen-phonon-method-for-state-anticrossing-situations-and-its-application-to-zero-point-motion-effects-in-diamondoids-1904.05385</loc><lastmod>2019-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frozen-phonon-method-for-state-anticrossing-situations-and-its-application-to-zero-point-motion-effects-in-diamondoids-1904.05385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frozen-phonon-method-for-state-anticrossing-situations-and-its-application-to-zero-point-motion-effects-in-diamondoids-1904.05385"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-vertex-corrections-linear-scaling-methods-for-accurate-quasiparticle-energies-1904.05524</loc><lastmod>2019-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-vertex-corrections-linear-scaling-methods-for-accurate-quasiparticle-energies-1904.05524"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-vertex-corrections-linear-scaling-methods-for-accurate-quasiparticle-energies-1904.05524"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-as-a-ubiquitous-mechanism-in-determining-the-negative-charge-at-hydrophobic-interfaces-1904.05766</loc><lastmod>2020-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-as-a-ubiquitous-mechanism-in-determining-the-negative-charge-at-hydrophobic-interfaces-1904.05766"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-as-a-ubiquitous-mechanism-in-determining-the-negative-charge-at-hydrophobic-interfaces-1904.05766"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-proton-tunneling-in-multi-electron-proton-transfer-electrode-processes-1904.05771</loc><lastmod>2019-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-proton-tunneling-in-multi-electron-proton-transfer-electrode-processes-1904.05771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-proton-tunneling-in-multi-electron-proton-transfer-electrode-processes-1904.05771"/></url>
<url><loc>https://scifaro.com/en/abs/from-diffusion-experiments-to-mean-field-theory-simulations-and-back-1904.05799</loc><lastmod>2020-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-diffusion-experiments-to-mean-field-theory-simulations-and-back-1904.05799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-diffusion-experiments-to-mean-field-theory-simulations-and-back-1904.05799"/></url>
<url><loc>https://scifaro.com/en/abs/partial-covariance-two-dimensional-mass-spectrometry-for-determination-of-biomolecular-primary-structure-1904.05946</loc><lastmod>2019-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/partial-covariance-two-dimensional-mass-spectrometry-for-determination-of-biomolecular-primary-structure-1904.05946"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/partial-covariance-two-dimensional-mass-spectrometry-for-determination-of-biomolecular-primary-structure-1904.05946"/></url>
<url><loc>https://scifaro.com/en/abs/pubchemqc-pm6-a-dataset-of-221-million-molecules-with-optimized-molecular-geometries-and-electronic-properties-1904.06046</loc><lastmod>2020-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pubchemqc-pm6-a-dataset-of-221-million-molecules-with-optimized-molecular-geometries-and-electronic-properties-1904.06046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pubchemqc-pm6-a-dataset-of-221-million-molecules-with-optimized-molecular-geometries-and-electronic-properties-1904.06046"/></url>
<url><loc>https://scifaro.com/en/abs/blind-search-for-complex-chemical-pathways-using-harmonic-linear-discriminant-analysis-1904.06276</loc><lastmod>2019-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/blind-search-for-complex-chemical-pathways-using-harmonic-linear-discriminant-analysis-1904.06276"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/blind-search-for-complex-chemical-pathways-using-harmonic-linear-discriminant-analysis-1904.06276"/></url>
<url><loc>https://scifaro.com/en/abs/estimating-of-optimal-dose-of-pacl-for-turbidity-removing-from-water-1904.06421</loc><lastmod>2019-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/estimating-of-optimal-dose-of-pacl-for-turbidity-removing-from-water-1904.06421"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/estimating-of-optimal-dose-of-pacl-for-turbidity-removing-from-water-1904.06421"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-induced-negative-differential-conductivity-1904.06671</loc><lastmod>2019-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-induced-negative-differential-conductivity-1904.06671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-induced-negative-differential-conductivity-1904.06671"/></url>
<url><loc>https://scifaro.com/en/abs/imaginary-shift-in-caspt2-nuclear-gradient-and-derivative-coupling-theory-1904.06718</loc><lastmod>2019-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaginary-shift-in-caspt2-nuclear-gradient-and-derivative-coupling-theory-1904.06718"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaginary-shift-in-caspt2-nuclear-gradient-and-derivative-coupling-theory-1904.06718"/></url>
<url><loc>https://scifaro.com/en/abs/chebyshev-hierarchical-equations-of-motion-for-systems-with-arbitrary-spectral-densities-and-temperatures-1904.06982</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chebyshev-hierarchical-equations-of-motion-for-systems-with-arbitrary-spectral-densities-and-temperatures-1904.06982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chebyshev-hierarchical-equations-of-motion-for-systems-with-arbitrary-spectral-densities-and-temperatures-1904.06982"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-shape-as-a-useful-bias-in-chemistry-1904.07035</loc><lastmod>2019-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-shape-as-a-useful-bias-in-chemistry-1904.07035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-shape-as-a-useful-bias-in-chemistry-1904.07035"/></url>
<url><loc>https://scifaro.com/en/abs/coarse-graining-molecular-systems-by-spectral-matching-1904.07177</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coarse-graining-molecular-systems-by-spectral-matching-1904.07177"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coarse-graining-molecular-systems-by-spectral-matching-1904.07177"/></url>
<url><loc>https://scifaro.com/en/abs/naphthalene-crystal-shape-prediction-from-molecular-dynamics-simulations-1904.07337</loc><lastmod>2019-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/naphthalene-crystal-shape-prediction-from-molecular-dynamics-simulations-1904.07337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/naphthalene-crystal-shape-prediction-from-molecular-dynamics-simulations-1904.07337"/></url>
<url><loc>https://scifaro.com/en/abs/reactor-based-xps-and-other-in-situ-studies-on-the-effect-of-substitution-of-bismuth-for-indium-in-defect-laden-indium-oxide-hydroxide-bizin2-zo3-x-oh-y-on-the-photocatalytic-hydrogenation-of-carbon-dioxide-1904.07347</loc><lastmod>2019-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactor-based-xps-and-other-in-situ-studies-on-the-effect-of-substitution-of-bismuth-for-indium-in-defect-laden-indium-oxide-hydroxide-bizin2-zo3-x-oh-y-on-the-photocatalytic-hydrogenation-of-carbon-dioxide-1904.07347"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactor-based-xps-and-other-in-situ-studies-on-the-effect-of-substitution-of-bismuth-for-indium-in-defect-laden-indium-oxide-hydroxide-bizin2-zo3-x-oh-y-on-the-photocatalytic-hydrogenation-of-carbon-dioxide-1904.07347"/></url>
<url><loc>https://scifaro.com/en/abs/electropolymerization-studies-and-applications-electrodes-and-double-layers-1904.08040</loc><lastmod>2019-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electropolymerization-studies-and-applications-electrodes-and-double-layers-1904.08040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electropolymerization-studies-and-applications-electrodes-and-double-layers-1904.08040"/></url>
<url><loc>https://scifaro.com/en/abs/kohn-sham-density-functional-theory-with-complex-spin-restricted-orbitals-accessing-a-new-class-of-densities-without-the-symmetry-dilemma-1904.08093</loc><lastmod>2019-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kohn-sham-density-functional-theory-with-complex-spin-restricted-orbitals-accessing-a-new-class-of-densities-without-the-symmetry-dilemma-1904.08093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kohn-sham-density-functional-theory-with-complex-spin-restricted-orbitals-accessing-a-new-class-of-densities-without-the-symmetry-dilemma-1904.08093"/></url>
<url><loc>https://scifaro.com/en/abs/spin-mapping-approach-for-nonadiabatic-molecular-dynamics-1904.08293</loc><lastmod>2020-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-mapping-approach-for-nonadiabatic-molecular-dynamics-1904.08293"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-mapping-approach-for-nonadiabatic-molecular-dynamics-1904.08293"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-orientational-distribution-of-free-o-h-groups-of-interfacial-water-is-exponential-1904.08560</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-orientational-distribution-of-free-o-h-groups-of-interfacial-water-is-exponential-1904.08560"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-orientational-distribution-of-free-o-h-groups-of-interfacial-water-is-exponential-1904.08560"/></url>
<url><loc>https://scifaro.com/en/abs/precise-computation-of-rovibronic-resonances-of-molecular-hydrogen-ef-1-sigma-mathrm-g-inner-well-rotational-states-1904.08609</loc><lastmod>2019-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/precise-computation-of-rovibronic-resonances-of-molecular-hydrogen-ef-1-sigma-mathrm-g-inner-well-rotational-states-1904.08609"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/precise-computation-of-rovibronic-resonances-of-molecular-hydrogen-ef-1-sigma-mathrm-g-inner-well-rotational-states-1904.08609"/></url>
<url><loc>https://scifaro.com/en/abs/a-density-functional-method-for-general-excited-states-in-atoms-1904.08717</loc><lastmod>2019-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-density-functional-method-for-general-excited-states-in-atoms-1904.08717"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-density-functional-method-for-general-excited-states-in-atoms-1904.08717"/></url>
<url><loc>https://scifaro.com/en/abs/dft-calculations-of-atoms-and-molecules-in-cartesian-grids-1904.08729</loc><lastmod>2019-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dft-calculations-of-atoms-and-molecules-in-cartesian-grids-1904.08729"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dft-calculations-of-atoms-and-molecules-in-cartesian-grids-1904.08729"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-density-functional-method-for-electronic-structure-calculation-of-atoms-and-molecules-1904.08806</loc><lastmod>2019-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-density-functional-method-for-electronic-structure-calculation-of-atoms-and-molecules-1904.08806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-density-functional-method-for-electronic-structure-calculation-of-atoms-and-molecules-1904.08806"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-analysis-of-many-single-molecule-encounters-reveals-plasmonic-resonance-dependent-nanoantenna-molecule-interactions-1904.08883</loc><lastmod>2019-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-analysis-of-many-single-molecule-encounters-reveals-plasmonic-resonance-dependent-nanoantenna-molecule-interactions-1904.08883"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-analysis-of-many-single-molecule-encounters-reveals-plasmonic-resonance-dependent-nanoantenna-molecule-interactions-1904.08883"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-approach-in-an-analytical-method-for-diffusion-dynamics-for-the-presence-of-delocalized-sink-in-a-potential-well-application-to-different-potential-curves-1904.09018</loc><lastmod>2021-09-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-approach-in-an-analytical-method-for-diffusion-dynamics-for-the-presence-of-delocalized-sink-in-a-potential-well-application-to-different-potential-curves-1904.09018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-approach-in-an-analytical-method-for-diffusion-dynamics-for-the-presence-of-delocalized-sink-in-a-potential-well-application-to-different-potential-curves-1904.09018"/></url>
<url><loc>https://scifaro.com/en/abs/radical-pair-intersystem-crossing-quantum-dynamics-or-incoherent-kinetics-1904.09025</loc><lastmod>2019-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/radical-pair-intersystem-crossing-quantum-dynamics-or-incoherent-kinetics-1904.09025"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/radical-pair-intersystem-crossing-quantum-dynamics-or-incoherent-kinetics-1904.09025"/></url>
<url><loc>https://scifaro.com/en/abs/champagne-bubbles-isolation-and-characterization-of-amphiphilic-macromolecules-responsible-for-the-stability-of-the-collar-at-the-champagne-air-interface-1904.09194</loc><lastmod>2019-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/champagne-bubbles-isolation-and-characterization-of-amphiphilic-macromolecules-responsible-for-the-stability-of-the-collar-at-the-champagne-air-interface-1904.09194"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/champagne-bubbles-isolation-and-characterization-of-amphiphilic-macromolecules-responsible-for-the-stability-of-the-collar-at-the-champagne-air-interface-1904.09194"/></url>
<url><loc>https://scifaro.com/en/abs/hydrated-excess-protons-in-acetonitrile-water-mixtures-solvation-species-and-ultrafast-proton-motions-1904.10228</loc><lastmod>2019-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrated-excess-protons-in-acetonitrile-water-mixtures-solvation-species-and-ultrafast-proton-motions-1904.10228"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrated-excess-protons-in-acetonitrile-water-mixtures-solvation-species-and-ultrafast-proton-motions-1904.10228"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-the-atomization-energy-of-molecules-using-coulomb-matrix-and-atomic-composition-in-a-bayesian-regularized-neural-networks-1904.10321</loc><lastmod>2019-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-the-atomization-energy-of-molecules-using-coulomb-matrix-and-atomic-composition-in-a-bayesian-regularized-neural-networks-1904.10321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-the-atomization-energy-of-molecules-using-coulomb-matrix-and-atomic-composition-in-a-bayesian-regularized-neural-networks-1904.10321"/></url>
<url><loc>https://scifaro.com/en/abs/a-classification-scheme-for-inverse-design-of-molecules-from-targeted-electronic-properties-to-atomicity-1904.10329</loc><lastmod>2019-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-classification-scheme-for-inverse-design-of-molecules-from-targeted-electronic-properties-to-atomicity-1904.10329"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-classification-scheme-for-inverse-design-of-molecules-from-targeted-electronic-properties-to-atomicity-1904.10329"/></url>
<url><loc>https://scifaro.com/en/abs/a-survey-on-big-data-and-machine-learning-for-chemistry-1904.10370</loc><lastmod>2019-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-survey-on-big-data-and-machine-learning-for-chemistry-1904.10370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-survey-on-big-data-and-machine-learning-for-chemistry-1904.10370"/></url>
<url><loc>https://scifaro.com/en/abs/young-frames-for-quantum-chemistry-1904.10469</loc><lastmod>2019-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/young-frames-for-quantum-chemistry-1904.10469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/young-frames-for-quantum-chemistry-1904.10469"/></url>
<url><loc>https://scifaro.com/en/abs/exhaustive-search-of-ligand-binding-pathways-via-volume-based-metadynamics-1904.10726</loc><lastmod>2019-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exhaustive-search-of-ligand-binding-pathways-via-volume-based-metadynamics-1904.10726"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exhaustive-search-of-ligand-binding-pathways-via-volume-based-metadynamics-1904.10726"/></url>
<url><loc>https://scifaro.com/en/abs/reliability-of-two-embedded-atom-models-for-the-description-of-ag-au-nanoalloys-1904.10817</loc><lastmod>2019-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reliability-of-two-embedded-atom-models-for-the-description-of-ag-au-nanoalloys-1904.10817"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reliability-of-two-embedded-atom-models-for-the-description-of-ag-au-nanoalloys-1904.10817"/></url>
<url><loc>https://scifaro.com/en/abs/a-density-based-basis-set-correction-for-wave-function-theory-1904.10913</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-density-based-basis-set-correction-for-wave-function-theory-1904.10913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-density-based-basis-set-correction-for-wave-function-theory-1904.10913"/></url>
<url><loc>https://scifaro.com/en/abs/ionic-organic-cage-encapsulating-phase-transferable-metal-clusters-1904.11054</loc><lastmod>2019-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionic-organic-cage-encapsulating-phase-transferable-metal-clusters-1904.11054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionic-organic-cage-encapsulating-phase-transferable-metal-clusters-1904.11054"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-electric-response-properties-of-molecules-in-cartesian-grid-1904.11165</loc><lastmod>2019-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-electric-response-properties-of-molecules-in-cartesian-grid-1904.11165"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-electric-response-properties-of-molecules-in-cartesian-grid-1904.11165"/></url>
<url><loc>https://scifaro.com/en/abs/critical-parameters-and-spherical-confinement-of-h-atom-in-screened-coulomb-potential-1904.11166</loc><lastmod>2019-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/critical-parameters-and-spherical-confinement-of-h-atom-in-screened-coulomb-potential-1904.11166"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/critical-parameters-and-spherical-confinement-of-h-atom-in-screened-coulomb-potential-1904.11166"/></url>
<url><loc>https://scifaro.com/en/abs/static-polarizability-and-hyperpolarizability-in-atoms-and-molecules-through-a-cartesian-grid-dft-1904.11169</loc><lastmod>2019-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/static-polarizability-and-hyperpolarizability-in-atoms-and-molecules-through-a-cartesian-grid-dft-1904.11169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/static-polarizability-and-hyperpolarizability-in-atoms-and-molecules-through-a-cartesian-grid-dft-1904.11169"/></url>
<url><loc>https://scifaro.com/en/abs/an-improved-descriptor-of-cluster-stability-application-to-small-carbon-clusters-1904.11317</loc><lastmod>2019-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-improved-descriptor-of-cluster-stability-application-to-small-carbon-clusters-1904.11317"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-improved-descriptor-of-cluster-stability-application-to-small-carbon-clusters-1904.11317"/></url>
<url><loc>https://scifaro.com/en/abs/emulating-optical-cycling-centers-in-polyatomic-molecules-1904.11579</loc><lastmod>2019-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/emulating-optical-cycling-centers-in-polyatomic-molecules-1904.11579"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/emulating-optical-cycling-centers-in-polyatomic-molecules-1904.11579"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-kinetic-isotope-effect-in-electrocatalysis-with-fully-deuterated-ultrapure-electrolytes-1904.11672</loc><lastmod>2019-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-kinetic-isotope-effect-in-electrocatalysis-with-fully-deuterated-ultrapure-electrolytes-1904.11672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-kinetic-isotope-effect-in-electrocatalysis-with-fully-deuterated-ultrapure-electrolytes-1904.11672"/></url>
<url><loc>https://scifaro.com/en/abs/improved-population-operators-for-multi-state-nonadiabatic-dynamics-with-the-mixed-quantum-classical-mapping-approach-1904.11847</loc><lastmod>2019-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-population-operators-for-multi-state-nonadiabatic-dynamics-with-the-mixed-quantum-classical-mapping-approach-1904.11847"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-population-operators-for-multi-state-nonadiabatic-dynamics-with-the-mixed-quantum-classical-mapping-approach-1904.11847"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-scattering-with-the-r-matrix-method-argon-argon-scattering-1904.11964</loc><lastmod>2019-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-scattering-with-the-r-matrix-method-argon-argon-scattering-1904.11964"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-scattering-with-the-r-matrix-method-argon-argon-scattering-1904.11964"/></url>
<url><loc>https://scifaro.com/en/abs/magnetic-tuning-of-ultracold-barrierless-chemical-reactions-1904.12119</loc><lastmod>2020-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetic-tuning-of-ultracold-barrierless-chemical-reactions-1904.12119"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetic-tuning-of-ultracold-barrierless-chemical-reactions-1904.12119"/></url>
<url><loc>https://scifaro.com/en/abs/a-sensitive-calorimetric-technique-to-study-energy-heat-exchange-at-the-nano-scale-1904.12544</loc><lastmod>2019-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-sensitive-calorimetric-technique-to-study-energy-heat-exchange-at-the-nano-scale-1904.12544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-sensitive-calorimetric-technique-to-study-energy-heat-exchange-at-the-nano-scale-1904.12544"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-control-with-quantum-light-of-molecular-nonadiabaticity-1904.12693</loc><lastmod>2019-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-control-with-quantum-light-of-molecular-nonadiabaticity-1904.12693"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-control-with-quantum-light-of-molecular-nonadiabaticity-1904.12693"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-the-electronic-structures-of-the-ground-and-excited-states-of-the-ytterbium-atom-and-the-ytterbium-dimer-a-modern-quantum-chemistry-perspective-1904.12971</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-the-electronic-structures-of-the-ground-and-excited-states-of-the-ytterbium-atom-and-the-ytterbium-dimer-a-modern-quantum-chemistry-perspective-1904.12971"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-the-electronic-structures-of-the-ground-and-excited-states-of-the-ytterbium-atom-and-the-ytterbium-dimer-a-modern-quantum-chemistry-perspective-1904.12971"/></url>
<url><loc>https://scifaro.com/en/abs/targeting-doubly-excited-states-with-equation-of-motion-coupled-cluster-theory-restricted-to-double-excitations-1904.13123</loc><lastmod>2019-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/targeting-doubly-excited-states-with-equation-of-motion-coupled-cluster-theory-restricted-to-double-excitations-1904.13123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/targeting-doubly-excited-states-with-equation-of-motion-coupled-cluster-theory-restricted-to-double-excitations-1904.13123"/></url>
<url><loc>https://scifaro.com/en/abs/cavity-ring-down-uv-spectroscopy-of-the-c-2-sigma-x-2-pi-electronic-transition-of-ch-1905.00251</loc><lastmod>2019-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cavity-ring-down-uv-spectroscopy-of-the-c-2-sigma-x-2-pi-electronic-transition-of-ch-1905.00251"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cavity-ring-down-uv-spectroscopy-of-the-c-2-sigma-x-2-pi-electronic-transition-of-ch-1905.00251"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-study-of-the-vibronic-coupling-in-positively-charged-c-60-1905.00530</loc><lastmod>2020-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-study-of-the-vibronic-coupling-in-positively-charged-c-60-1905.00530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-study-of-the-vibronic-coupling-in-positively-charged-c-60-1905.00530"/></url>
<url><loc>https://scifaro.com/en/abs/projected-density-matrix-embedding-theory-with-applications-to-the-two-dimensional-hubbard-model-1905.00886</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/projected-density-matrix-embedding-theory-with-applications-to-the-two-dimensional-hubbard-model-1905.00886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/projected-density-matrix-embedding-theory-with-applications-to-the-two-dimensional-hubbard-model-1905.00886"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-walkers-in-stochastic-quantum-chemistry-reducing-error-using-fast-randomized-iteration-1905.00995</loc><lastmod>2023-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-walkers-in-stochastic-quantum-chemistry-reducing-error-using-fast-randomized-iteration-1905.00995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-walkers-in-stochastic-quantum-chemistry-reducing-error-using-fast-randomized-iteration-1905.00995"/></url>
<url><loc>https://scifaro.com/en/abs/range-separated-double-hybrid-density-functional-theory-with-coupled-cluster-and-random-phase-approximations-1905.01014</loc><lastmod>2020-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/range-separated-double-hybrid-density-functional-theory-with-coupled-cluster-and-random-phase-approximations-1905.01014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/range-separated-double-hybrid-density-functional-theory-with-coupled-cluster-and-random-phase-approximations-1905.01014"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-modeling-of-micelle-growth-2-molecular-thermodynamics-of-mixed-aggregates-and-scission-energy-in-wormlike-micelles-1905.01109</loc><lastmod>2020-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-modeling-of-micelle-growth-2-molecular-thermodynamics-of-mixed-aggregates-and-scission-energy-in-wormlike-micelles-1905.01109"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-modeling-of-micelle-growth-2-molecular-thermodynamics-of-mixed-aggregates-and-scission-energy-in-wormlike-micelles-1905.01109"/></url>
<url><loc>https://scifaro.com/en/abs/atomistic-scale-analysis-of-the-carbonization-process-for-c-h-o-n-based-polymers-with-the-reaxff-reactive-force-field-1905.01265</loc><lastmod>2019-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomistic-scale-analysis-of-the-carbonization-process-for-c-h-o-n-based-polymers-with-the-reaxff-reactive-force-field-1905.01265"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomistic-scale-analysis-of-the-carbonization-process-for-c-h-o-n-based-polymers-with-the-reaxff-reactive-force-field-1905.01265"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-formulation-of-full-configuration-interaction-quantum-monte-carlo-in-a-spin-eigenbasis-via-the-graphical-unitary-group-approach-1905.01346</loc><lastmod>2019-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-formulation-of-full-configuration-interaction-quantum-monte-carlo-in-a-spin-eigenbasis-via-the-graphical-unitary-group-approach-1905.01346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-formulation-of-full-configuration-interaction-quantum-monte-carlo-in-a-spin-eigenbasis-via-the-graphical-unitary-group-approach-1905.01346"/></url>
<url><loc>https://scifaro.com/en/abs/the-chronus-quantum-chronusq-software-package-1905.01381</loc><lastmod>2019-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-chronus-quantum-chronusq-software-package-1905.01381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-chronus-quantum-chronusq-software-package-1905.01381"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-strategy-to-generate-atom-connecting-positions-1905.01445</loc><lastmod>2019-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-strategy-to-generate-atom-connecting-positions-1905.01445"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-strategy-to-generate-atom-connecting-positions-1905.01445"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-electrocatalytic-reduction-of-co2-by-nitrogen-doped-nanoporous-carbon-carbon-nanotube-membranes-a-step-towards-the-electrochemical-co2-refinery-1905.01466</loc><lastmod>2019-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-electrocatalytic-reduction-of-co2-by-nitrogen-doped-nanoporous-carbon-carbon-nanotube-membranes-a-step-towards-the-electrochemical-co2-refinery-1905.01466"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-electrocatalytic-reduction-of-co2-by-nitrogen-doped-nanoporous-carbon-carbon-nanotube-membranes-a-step-towards-the-electrochemical-co2-refinery-1905.01466"/></url>
<url><loc>https://scifaro.com/en/abs/qm-mm-md-analysis-of-dissociation-of-ag-and-h-mediated-cytidines-1905.01478</loc><lastmod>2020-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qm-mm-md-analysis-of-dissociation-of-ag-and-h-mediated-cytidines-1905.01478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qm-mm-md-analysis-of-dissociation-of-ag-and-h-mediated-cytidines-1905.01478"/></url>
<url><loc>https://scifaro.com/en/abs/approximate-analytical-gradients-and-nonadiabatic-couplings-for-the-state-average-density-matrix-renormalization-group-self-consistent-field-method-1905.01558</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximate-analytical-gradients-and-nonadiabatic-couplings-for-the-state-average-density-matrix-renormalization-group-self-consistent-field-method-1905.01558"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximate-analytical-gradients-and-nonadiabatic-couplings-for-the-state-average-density-matrix-renormalization-group-self-consistent-field-method-1905.01558"/></url>
<url><loc>https://scifaro.com/en/abs/direct-co2-electroreduction-from-carbonate-1905.01818</loc><lastmod>2019-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-co2-electroreduction-from-carbonate-1905.01818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-co2-electroreduction-from-carbonate-1905.01818"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-modeling-of-micelle-growth-1-chain-conformation-free-energy-of-binary-mixed-spherical-wormlike-and-lamellar-micelles-1905.01940</loc><lastmod>2020-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-modeling-of-micelle-growth-1-chain-conformation-free-energy-of-binary-mixed-spherical-wormlike-and-lamellar-micelles-1905.01940"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-modeling-of-micelle-growth-1-chain-conformation-free-energy-of-binary-mixed-spherical-wormlike-and-lamellar-micelles-1905.01940"/></url>
<url><loc>https://scifaro.com/en/abs/a-microscopic-description-of-acid-base-equilibrium-1905.02080</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-microscopic-description-of-acid-base-equilibrium-1905.02080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-microscopic-description-of-acid-base-equilibrium-1905.02080"/></url>
<url><loc>https://scifaro.com/en/abs/solving-the-ch-4-riddle-the-fundamental-role-of-spin-to-explain-metastable-anionic-methane-1905.02317</loc><lastmod>2020-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solving-the-ch-4-riddle-the-fundamental-role-of-spin-to-explain-metastable-anionic-methane-1905.02317"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solving-the-ch-4-riddle-the-fundamental-role-of-spin-to-explain-metastable-anionic-methane-1905.02317"/></url>
<url><loc>https://scifaro.com/en/abs/local-adsorption-structure-and-bonding-of-porphine-on-cu-111-before-and-after-self-metalation-1905.02339</loc><lastmod>2019-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-adsorption-structure-and-bonding-of-porphine-on-cu-111-before-and-after-self-metalation-1905.02339"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-adsorption-structure-and-bonding-of-porphine-on-cu-111-before-and-after-self-metalation-1905.02339"/></url>
<url><loc>https://scifaro.com/en/abs/mechanism-of-co-oxidation-on-pd-ceo2-100-the-unique-surface-structure-of-ceo2-100-and-the-role-of-peroxide-1905.02398</loc><lastmod>2019-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanism-of-co-oxidation-on-pd-ceo2-100-the-unique-surface-structure-of-ceo2-100-and-the-role-of-peroxide-1905.02398"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanism-of-co-oxidation-on-pd-ceo2-100-the-unique-surface-structure-of-ceo2-100-and-the-role-of-peroxide-1905.02398"/></url>
<url><loc>https://scifaro.com/en/abs/cage-occupancies-in-nitrogen-clathrate-hydrates-from-monte-carlo-simulations-1905.02453</loc><lastmod>2019-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cage-occupancies-in-nitrogen-clathrate-hydrates-from-monte-carlo-simulations-1905.02453"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cage-occupancies-in-nitrogen-clathrate-hydrates-from-monte-carlo-simulations-1905.02453"/></url>
<url><loc>https://scifaro.com/en/abs/foreign-body-reaction-immune-respond-for-artificial-implants-can-be-avoided-1905.02500</loc><lastmod>2019-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/foreign-body-reaction-immune-respond-for-artificial-implants-can-be-avoided-1905.02500"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/foreign-body-reaction-immune-respond-for-artificial-implants-can-be-avoided-1905.02500"/></url>
<url><loc>https://scifaro.com/en/abs/the-spectrum-of-n-2-from-4-500-to-15-700-cm-1-revisited-with-pgopher-1905.02528</loc><lastmod>2019-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-spectrum-of-n-2-from-4-500-to-15-700-cm-1-revisited-with-pgopher-1905.02528"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-spectrum-of-n-2-from-4-500-to-15-700-cm-1-revisited-with-pgopher-1905.02528"/></url>
<url><loc>https://scifaro.com/en/abs/a-general-approach-for-multireference-ground-and-excited-states-using-non-orthogonal-configuration-interaction-1905.02626</loc><lastmod>2019-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-general-approach-for-multireference-ground-and-excited-states-using-non-orthogonal-configuration-interaction-1905.02626"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-general-approach-for-multireference-ground-and-excited-states-using-non-orthogonal-configuration-interaction-1905.02626"/></url>
<url><loc>https://scifaro.com/en/abs/many-body-expanded-full-configuration-interaction-ii-strongly-correlated-regime-1905.02786</loc><lastmod>2019-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-body-expanded-full-configuration-interaction-ii-strongly-correlated-regime-1905.02786"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-body-expanded-full-configuration-interaction-ii-strongly-correlated-regime-1905.02786"/></url>
<url><loc>https://scifaro.com/en/abs/local-descriptors-of-dynamic-and-nondynamic-correlation-1905.03101</loc><lastmod>2019-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-descriptors-of-dynamic-and-nondynamic-correlation-1905.03101"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-descriptors-of-dynamic-and-nondynamic-correlation-1905.03101"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-blockading-in-charged-neutral-excited-state-chemistry-at-low-collision-energy-1905.03392</loc><lastmod>2019-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-blockading-in-charged-neutral-excited-state-chemistry-at-low-collision-energy-1905.03392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-blockading-in-charged-neutral-excited-state-chemistry-at-low-collision-energy-1905.03392"/></url>
<url><loc>https://scifaro.com/en/abs/atomic-resolution-imaging-of-carbonyl-sulfide-by-laser-induced-electron-diffraction-1905.03541</loc><lastmod>2019-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomic-resolution-imaging-of-carbonyl-sulfide-by-laser-induced-electron-diffraction-1905.03541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomic-resolution-imaging-of-carbonyl-sulfide-by-laser-induced-electron-diffraction-1905.03541"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-orbital-effects-in-laser-induced-electron-diffraction-of-aligned-molecules-1905.03596</loc><lastmod>2019-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-orbital-effects-in-laser-induced-electron-diffraction-of-aligned-molecules-1905.03596"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-orbital-effects-in-laser-induced-electron-diffraction-of-aligned-molecules-1905.03596"/></url>
<url><loc>https://scifaro.com/en/abs/novel-two-dimensional-ca-cl-crystals-with-metallicity-piezoelectric-effect-and-room-temperature-ferromagnetism-1905.04135</loc><lastmod>2019-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/novel-two-dimensional-ca-cl-crystals-with-metallicity-piezoelectric-effect-and-room-temperature-ferromagnetism-1905.04135"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/novel-two-dimensional-ca-cl-crystals-with-metallicity-piezoelectric-effect-and-room-temperature-ferromagnetism-1905.04135"/></url>
<url><loc>https://scifaro.com/en/abs/specifics-about-specific-ion-adsorption-from-heterodyne-detected-second-harmonic-generation-1905.04148</loc><lastmod>2019-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/specifics-about-specific-ion-adsorption-from-heterodyne-detected-second-harmonic-generation-1905.04148"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/specifics-about-specific-ion-adsorption-from-heterodyne-detected-second-harmonic-generation-1905.04148"/></url>
<url><loc>https://scifaro.com/en/abs/complete-basis-set-extrapolation-of-electronic-correlation-energies-using-the-riemann-zeta-function-1905.04265</loc><lastmod>2019-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complete-basis-set-extrapolation-of-electronic-correlation-energies-using-the-riemann-zeta-function-1905.04265"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complete-basis-set-extrapolation-of-electronic-correlation-energies-using-the-riemann-zeta-function-1905.04265"/></url>
<url><loc>https://scifaro.com/en/abs/an-auxiliary-field-quantum-monte-carlo-perspective-on-the-ground-state-of-the-dense-uniform-electron-gas-an-investigation-with-hartree-fock-trial-wavefunctions-1905.04361</loc><lastmod>2019-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-auxiliary-field-quantum-monte-carlo-perspective-on-the-ground-state-of-the-dense-uniform-electron-gas-an-investigation-with-hartree-fock-trial-wavefunctions-1905.04361"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-auxiliary-field-quantum-monte-carlo-perspective-on-the-ground-state-of-the-dense-uniform-electron-gas-an-investigation-with-hartree-fock-trial-wavefunctions-1905.04361"/></url>
<url><loc>https://scifaro.com/en/abs/electrolytic-conversion-of-bicarbonate-into-co-in-a-flow-cell-1905.04580</loc><lastmod>2019-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrolytic-conversion-of-bicarbonate-into-co-in-a-flow-cell-1905.04580"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrolytic-conversion-of-bicarbonate-into-co-in-a-flow-cell-1905.04580"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-rotation-vibration-spectroscopy-of-it-cis-and-it-trans-diphosphene-p-2-h-2-and-the-deuterated-species-p-2-hd-1905.04990</loc><lastmod>2019-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-rotation-vibration-spectroscopy-of-it-cis-and-it-trans-diphosphene-p-2-h-2-and-the-deuterated-species-p-2-hd-1905.04990"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-rotation-vibration-spectroscopy-of-it-cis-and-it-trans-diphosphene-p-2-h-2-and-the-deuterated-species-p-2-hd-1905.04990"/></url>
<url><loc>https://scifaro.com/en/abs/universal-behaviour-of-diatomic-halo-states-and-the-mass-sensitivity-of-their-properties-1905.04995</loc><lastmod>2019-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-behaviour-of-diatomic-halo-states-and-the-mass-sensitivity-of-their-properties-1905.04995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-behaviour-of-diatomic-halo-states-and-the-mass-sensitivity-of-their-properties-1905.04995"/></url>
<url><loc>https://scifaro.com/en/abs/higher-order-corrections-to-the-redfield-equation-with-respect-to-the-system-bath-coupling-based-on-the-hierarchical-equations-of-motion-1905.05068</loc><lastmod>2021-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/higher-order-corrections-to-the-redfield-equation-with-respect-to-the-system-bath-coupling-based-on-the-hierarchical-equations-of-motion-1905.05068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/higher-order-corrections-to-the-redfield-equation-with-respect-to-the-system-bath-coupling-based-on-the-hierarchical-equations-of-motion-1905.05068"/></url>
<url><loc>https://scifaro.com/en/abs/an-effective-semiclassical-approach-to-ir-spectroscopy-1905.05433</loc><lastmod>2019-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-effective-semiclassical-approach-to-ir-spectroscopy-1905.05433"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-effective-semiclassical-approach-to-ir-spectroscopy-1905.05433"/></url>
<url><loc>https://scifaro.com/en/abs/rovibronic-spectra-of-molecules-dressed-by-light-fields-1905.05482</loc><lastmod>2019-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rovibronic-spectra-of-molecules-dressed-by-light-fields-1905.05482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rovibronic-spectra-of-molecules-dressed-by-light-fields-1905.05482"/></url>
<url><loc>https://scifaro.com/en/abs/a-variationally-computed-ir-line-list-for-the-methyl-radical-ch-3-1905.05504</loc><lastmod>2019-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-variationally-computed-ir-line-list-for-the-methyl-radical-ch-3-1905.05504"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-variationally-computed-ir-line-list-for-the-methyl-radical-ch-3-1905.05504"/></url>
<url><loc>https://scifaro.com/en/abs/reactive-molecular-dynamics-simulations-of-organometallic-compound-w-co-6-fragmentation-1905.05507</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactive-molecular-dynamics-simulations-of-organometallic-compound-w-co-6-fragmentation-1905.05507"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactive-molecular-dynamics-simulations-of-organometallic-compound-w-co-6-fragmentation-1905.05507"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-mass-correction-for-excited-states-of-molecular-hydrogen-improvement-for-the-outer-well-h-bar-h-1-sigma-mathrm-g-term-values-1905.05525</loc><lastmod>2019-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-mass-correction-for-excited-states-of-molecular-hydrogen-improvement-for-the-outer-well-h-bar-h-1-sigma-mathrm-g-term-values-1905.05525"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-mass-correction-for-excited-states-of-molecular-hydrogen-improvement-for-the-outer-well-h-bar-h-1-sigma-mathrm-g-term-values-1905.05525"/></url>
<url><loc>https://scifaro.com/en/abs/structural-transition-states-explored-with-minimalist-coarse-grained-models-applications-to-calmodulin-1905.05631</loc><lastmod>2019-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-transition-states-explored-with-minimalist-coarse-grained-models-applications-to-calmodulin-1905.05631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-transition-states-explored-with-minimalist-coarse-grained-models-applications-to-calmodulin-1905.05631"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-stark-spectroscopy-on-fluorobenzene-with-quantum-cascade-laser-dual-frequency-combs-1905.05758</loc><lastmod>2019-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-stark-spectroscopy-on-fluorobenzene-with-quantum-cascade-laser-dual-frequency-combs-1905.05758"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-stark-spectroscopy-on-fluorobenzene-with-quantum-cascade-laser-dual-frequency-combs-1905.05758"/></url>
<url><loc>https://scifaro.com/en/abs/multi-reference-quantum-chemistry-protocol-for-simulating-autoionization-spectra-test-of-ionization-continuum-models-for-the-neon-atom-1905.05785</loc><lastmod>2019-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-reference-quantum-chemistry-protocol-for-simulating-autoionization-spectra-test-of-ionization-continuum-models-for-the-neon-atom-1905.05785"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-reference-quantum-chemistry-protocol-for-simulating-autoionization-spectra-test-of-ionization-continuum-models-for-the-neon-atom-1905.05785"/></url>
<url><loc>https://scifaro.com/en/abs/structural-characterization-of-an-ionic-liquid-in-bulk-and-in-nano-confined-environment-from-md-simulations-1905.06009</loc><lastmod>2019-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-characterization-of-an-ionic-liquid-in-bulk-and-in-nano-confined-environment-from-md-simulations-1905.06009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-characterization-of-an-ionic-liquid-in-bulk-and-in-nano-confined-environment-from-md-simulations-1905.06009"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-phase-matching-in-chiral-materials-1905.06015</loc><lastmod>2019-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-phase-matching-in-chiral-materials-1905.06015"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-phase-matching-in-chiral-materials-1905.06015"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-optical-response-of-a-gold-surface-in-the-visible-range-a-study-by-two-color-sum-frequency-generation-spectroscopy-ii-model-for-metal-nonlinear-susceptibility-1905.06026</loc><lastmod>2019-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-optical-response-of-a-gold-surface-in-the-visible-range-a-study-by-two-color-sum-frequency-generation-spectroscopy-ii-model-for-metal-nonlinear-susceptibility-1905.06026"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-optical-response-of-a-gold-surface-in-the-visible-range-a-study-by-two-color-sum-frequency-generation-spectroscopy-ii-model-for-metal-nonlinear-susceptibility-1905.06026"/></url>
<url><loc>https://scifaro.com/en/abs/non-uniqueness-of-parameters-extracted-from-resonant-second-order-nonlinear-optical-spectroscopies-1905.06029</loc><lastmod>2019-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-uniqueness-of-parameters-extracted-from-resonant-second-order-nonlinear-optical-spectroscopies-1905.06029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-uniqueness-of-parameters-extracted-from-resonant-second-order-nonlinear-optical-spectroscopies-1905.06029"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-benchmark-of-new-density-functionals-and-domain-pair-natural-orbital-methods-mechanisms-of-hydroarylation-and-oxidative-coupling-catalyzed-by-ru-ii-chloride-carbonyls-1905.06168</loc><lastmod>2019-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-benchmark-of-new-density-functionals-and-domain-pair-natural-orbital-methods-mechanisms-of-hydroarylation-and-oxidative-coupling-catalyzed-by-ru-ii-chloride-carbonyls-1905.06168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-benchmark-of-new-density-functionals-and-domain-pair-natural-orbital-methods-mechanisms-of-hydroarylation-and-oxidative-coupling-catalyzed-by-ru-ii-chloride-carbonyls-1905.06168"/></url>
<url><loc>https://scifaro.com/en/abs/some-observations-on-the-performance-of-the-most-recent-exchange-correlation-functionals-for-the-large-and-chemically-diverse-gmtkn55-benchmark-1905.06172</loc><lastmod>2019-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/some-observations-on-the-performance-of-the-most-recent-exchange-correlation-functionals-for-the-large-and-chemically-diverse-gmtkn55-benchmark-1905.06172"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/some-observations-on-the-performance-of-the-most-recent-exchange-correlation-functionals-for-the-large-and-chemically-diverse-gmtkn55-benchmark-1905.06172"/></url>
<url><loc>https://scifaro.com/en/abs/revisiting-pi-backbonding-the-influence-of-d-orbitals-on-metal-co-bonds-and-ligand-red-shifts-1905.06551</loc><lastmod>2019-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revisiting-pi-backbonding-the-influence-of-d-orbitals-on-metal-co-bonds-and-ligand-red-shifts-1905.06551"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revisiting-pi-backbonding-the-influence-of-d-orbitals-on-metal-co-bonds-and-ligand-red-shifts-1905.06551"/></url>
<url><loc>https://scifaro.com/en/abs/reactivity-of-hydrated-hydroxide-anion-cluster-oh-h-2-o-n-with-h-and-rb-an-ab-initio-study-1905.06640</loc><lastmod>2019-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactivity-of-hydrated-hydroxide-anion-cluster-oh-h-2-o-n-with-h-and-rb-an-ab-initio-study-1905.06640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactivity-of-hydrated-hydroxide-anion-cluster-oh-h-2-o-n-with-h-and-rb-an-ab-initio-study-1905.06640"/></url>
<url><loc>https://scifaro.com/en/abs/towards-the-efficient-local-tailored-coupled-cluster-approximation-and-the-peculiar-case-of-oxo-mn-salen-1905.06833</loc><lastmod>2020-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-the-efficient-local-tailored-coupled-cluster-approximation-and-the-peculiar-case-of-oxo-mn-salen-1905.06833"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-the-efficient-local-tailored-coupled-cluster-approximation-and-the-peculiar-case-of-oxo-mn-salen-1905.06833"/></url>
<url><loc>https://scifaro.com/en/abs/uncertainty-quantification-of-molecular-property-prediction-using-bayesian-neural-network-models-1905.06945</loc><lastmod>2019-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncertainty-quantification-of-molecular-property-prediction-using-bayesian-neural-network-models-1905.06945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncertainty-quantification-of-molecular-property-prediction-using-bayesian-neural-network-models-1905.06945"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-the-accuracy-of-the-jastrow-antisymmetrized-geminal-power-in-the-h4-model-system-1905.06971</loc><lastmod>2019-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-the-accuracy-of-the-jastrow-antisymmetrized-geminal-power-in-the-h4-model-system-1905.06971"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-the-accuracy-of-the-jastrow-antisymmetrized-geminal-power-in-the-h4-model-system-1905.06971"/></url>
<url><loc>https://scifaro.com/en/abs/water-is-not-a-dynamic-polydisperse-branched-polymer-1905.07007</loc><lastmod>2019-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-is-not-a-dynamic-polydisperse-branched-polymer-1905.07007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-is-not-a-dynamic-polydisperse-branched-polymer-1905.07007"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-embedding-dft-theory-and-application-to-p-nitroaniline-1905.07099</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-embedding-dft-theory-and-application-to-p-nitroaniline-1905.07099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-embedding-dft-theory-and-application-to-p-nitroaniline-1905.07099"/></url>
<url><loc>https://scifaro.com/en/abs/field-induced-diastereomers-for-chiral-separation-1905.07166</loc><lastmod>2019-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/field-induced-diastereomers-for-chiral-separation-1905.07166"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/field-induced-diastereomers-for-chiral-separation-1905.07166"/></url>
<url><loc>https://scifaro.com/en/abs/fluctuations-of-electric-fields-in-the-active-site-of-the-enzyme-ketosteroid-isomerase-1905.07521</loc><lastmod>2019-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fluctuations-of-electric-fields-in-the-active-site-of-the-enzyme-ketosteroid-isomerase-1905.07521"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fluctuations-of-electric-fields-in-the-active-site-of-the-enzyme-ketosteroid-isomerase-1905.07521"/></url>
<url><loc>https://scifaro.com/en/abs/adiabatic-and-nonadiabatic-energy-dissipation-during-scattering-of-vibrationally-excited-co-from-au-111-1905.07534</loc><lastmod>2019-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adiabatic-and-nonadiabatic-energy-dissipation-during-scattering-of-vibrationally-excited-co-from-au-111-1905.07534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adiabatic-and-nonadiabatic-energy-dissipation-during-scattering-of-vibrationally-excited-co-from-au-111-1905.07534"/></url>
<url><loc>https://scifaro.com/en/abs/two-dimensional-fano-lineshapes-excited-state-absorption-contributions-1905.07743</loc><lastmod>2019-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-fano-lineshapes-excited-state-absorption-contributions-1905.07743"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-fano-lineshapes-excited-state-absorption-contributions-1905.07743"/></url>
<url><loc>https://scifaro.com/en/abs/linear-scaling-conventional-fock-matrix-calculation-with-stored-non-zero-two-electron-integrals-1905.07779</loc><lastmod>2019-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-scaling-conventional-fock-matrix-calculation-with-stored-non-zero-two-electron-integrals-1905.07779"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-scaling-conventional-fock-matrix-calculation-with-stored-non-zero-two-electron-integrals-1905.07779"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-an-advanced-force-field-for-water-using-variational-energy-decomposition-analysis-1905.07816</loc><lastmod>2019-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-an-advanced-force-field-for-water-using-variational-energy-decomposition-analysis-1905.07816"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-an-advanced-force-field-for-water-using-variational-energy-decomposition-analysis-1905.07816"/></url>
<url><loc>https://scifaro.com/en/abs/simple-exchange-hole-models-for-long-range-corrected-density-functionals-1905.07926</loc><lastmod>2019-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-exchange-hole-models-for-long-range-corrected-density-functionals-1905.07926"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-exchange-hole-models-for-long-range-corrected-density-functionals-1905.07926"/></url>
<url><loc>https://scifaro.com/en/abs/robust-field-dressed-spectra-of-diatomics-in-an-optical-lattice-1905.08573</loc><lastmod>2020-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-field-dressed-spectra-of-diatomics-in-an-optical-lattice-1905.08573"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-field-dressed-spectra-of-diatomics-in-an-optical-lattice-1905.08573"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-impedance-of-electrodiffusion-in-charged-medium-under-dc-bias-1905.08643</loc><lastmod>2019-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-impedance-of-electrodiffusion-in-charged-medium-under-dc-bias-1905.08643"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-impedance-of-electrodiffusion-in-charged-medium-under-dc-bias-1905.08643"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-the-fac-mer-isomerism-on-the-excited-states-dynamics-of-pyridyl-carbene-fe-ii-complexes-1905.08858</loc><lastmod>2019-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-the-fac-mer-isomerism-on-the-excited-states-dynamics-of-pyridyl-carbene-fe-ii-complexes-1905.08858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-the-fac-mer-isomerism-on-the-excited-states-dynamics-of-pyridyl-carbene-fe-ii-complexes-1905.08858"/></url>
<url><loc>https://scifaro.com/en/abs/halogen-bond-structure-and-dynamics-from-molecular-simulations-1905.08879</loc><lastmod>2019-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/halogen-bond-structure-and-dynamics-from-molecular-simulations-1905.08879"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/halogen-bond-structure-and-dynamics-from-molecular-simulations-1905.08879"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-of-aqueous-media-reactions-via-ab-initio-enhanced-molecular-dynamics-the-case-of-urea-decomposition-1905.09009</loc><lastmod>2019-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-of-aqueous-media-reactions-via-ab-initio-enhanced-molecular-dynamics-the-case-of-urea-decomposition-1905.09009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-of-aqueous-media-reactions-via-ab-initio-enhanced-molecular-dynamics-the-case-of-urea-decomposition-1905.09009"/></url>
<url><loc>https://scifaro.com/en/abs/using-quadrature-and-an-iterative-eigensolver-to-compute-fine-structure-ro-vibrational-levels-of-van-der-waals-complexes-nh-3-sigma-he-o-2-3-sigma-g-ar-and-o-2-3-sigma-g-he-1905.09036</loc><lastmod>2019-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-quadrature-and-an-iterative-eigensolver-to-compute-fine-structure-ro-vibrational-levels-of-van-der-waals-complexes-nh-3-sigma-he-o-2-3-sigma-g-ar-and-o-2-3-sigma-g-he-1905.09036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-quadrature-and-an-iterative-eigensolver-to-compute-fine-structure-ro-vibrational-levels-of-van-der-waals-complexes-nh-3-sigma-he-o-2-3-sigma-g-ar-and-o-2-3-sigma-g-he-1905.09036"/></url>
<url><loc>https://scifaro.com/en/abs/mobile-obstacles-accelerates-and-inhibits-the-bundle-formation-in-two-patch-colloidal-particle-1905.09079</loc><lastmod>2020-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mobile-obstacles-accelerates-and-inhibits-the-bundle-formation-in-two-patch-colloidal-particle-1905.09079"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mobile-obstacles-accelerates-and-inhibits-the-bundle-formation-in-two-patch-colloidal-particle-1905.09079"/></url>
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<url><loc>https://scifaro.com/en/abs/computing-long-timescale-biomolecular-dynamics-using-quasi-stationary-distribution-kinetic-monte-carlo-qsd-kmc-1905.09975</loc><lastmod>2020-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computing-long-timescale-biomolecular-dynamics-using-quasi-stationary-distribution-kinetic-monte-carlo-qsd-kmc-1905.09975"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computing-long-timescale-biomolecular-dynamics-using-quasi-stationary-distribution-kinetic-monte-carlo-qsd-kmc-1905.09975"/></url>
<url><loc>https://scifaro.com/en/abs/thin-films-of-ps-ps-b-pnipam-and-ps-pnipam-polymer-blends-with-tunable-wettability-1905.10092</loc><lastmod>2019-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thin-films-of-ps-ps-b-pnipam-and-ps-pnipam-polymer-blends-with-tunable-wettability-1905.10092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thin-films-of-ps-ps-b-pnipam-and-ps-pnipam-polymer-blends-with-tunable-wettability-1905.10092"/></url>
<url><loc>https://scifaro.com/en/abs/the-electrochemical-storage-mechanism-in-oxy-hydroxyfluorinated-anatase-for-sodium-ion-batteries-1905.10211</loc><lastmod>2019-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-electrochemical-storage-mechanism-in-oxy-hydroxyfluorinated-anatase-for-sodium-ion-batteries-1905.10211"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-electrochemical-storage-mechanism-in-oxy-hydroxyfluorinated-anatase-for-sodium-ion-batteries-1905.10211"/></url>
<url><loc>https://scifaro.com/en/abs/multireference-ab-initio-studies-of-magnetic-properties-of-terbium-based-single-molecule-magnets-1905.10635</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multireference-ab-initio-studies-of-magnetic-properties-of-terbium-based-single-molecule-magnets-1905.10635"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multireference-ab-initio-studies-of-magnetic-properties-of-terbium-based-single-molecule-magnets-1905.10635"/></url>
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<url><loc>https://scifaro.com/en/abs/inertial-extended-lagrangian-scheme-for-solving-charge-equilibration-models-1905.10872</loc><lastmod>2019-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inertial-extended-lagrangian-scheme-for-solving-charge-equilibration-models-1905.10872"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inertial-extended-lagrangian-scheme-for-solving-charge-equilibration-models-1905.10872"/></url>
<url><loc>https://scifaro.com/en/abs/oil-drop-deposition-on-solid-surfaces-in-mixed-polymer-surfactant-solutions-in-relation-to-hair-and-skin-care-applications-1905.10997</loc><lastmod>2020-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oil-drop-deposition-on-solid-surfaces-in-mixed-polymer-surfactant-solutions-in-relation-to-hair-and-skin-care-applications-1905.10997"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oil-drop-deposition-on-solid-surfaces-in-mixed-polymer-surfactant-solutions-in-relation-to-hair-and-skin-care-applications-1905.10997"/></url>
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<url><loc>https://scifaro.com/en/abs/the-nanoscale-structure-of-the-pt-water-double-layer-under-bias-revealed-1905.11850</loc><lastmod>2019-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-nanoscale-structure-of-the-pt-water-double-layer-under-bias-revealed-1905.11850"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-nanoscale-structure-of-the-pt-water-double-layer-under-bias-revealed-1905.11850"/></url>
<url><loc>https://scifaro.com/en/abs/ionic-activity-in-concentrated-electrolytes-solvent-structure-effect-revisited-1905.12076</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionic-activity-in-concentrated-electrolytes-solvent-structure-effect-revisited-1905.12076"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionic-activity-in-concentrated-electrolytes-solvent-structure-effect-revisited-1905.12076"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-treatment-of-ir-spectroscopy-data-for-double-well-potential-1905.12242</loc><lastmod>2019-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-treatment-of-ir-spectroscopy-data-for-double-well-potential-1905.12242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-treatment-of-ir-spectroscopy-data-for-double-well-potential-1905.12242"/></url>
<url><loc>https://scifaro.com/en/abs/an-asymptotic-derivation-of-a-single-particle-model-with-electrolyte-1905.12553</loc><lastmod>2019-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-asymptotic-derivation-of-a-single-particle-model-with-electrolyte-1905.12553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-asymptotic-derivation-of-a-single-particle-model-with-electrolyte-1905.12553"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-persistent-orientation-of-chiral-molecules-1905.12609</loc><lastmod>2019-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-persistent-orientation-of-chiral-molecules-1905.12609"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-persistent-orientation-of-chiral-molecules-1905.12609"/></url>
<url><loc>https://scifaro.com/en/abs/independent-subsystem-interpretation-of-the-double-photoionization-of-pyrene-and-coronene-1905.12772</loc><lastmod>2020-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/independent-subsystem-interpretation-of-the-double-photoionization-of-pyrene-and-coronene-1905.12772"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/independent-subsystem-interpretation-of-the-double-photoionization-of-pyrene-and-coronene-1905.12772"/></url>
<url><loc>https://scifaro.com/en/abs/interpretation-of-the-thz-thz-raman-spectrum-of-bromoform-1905.13280</loc><lastmod>2019-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpretation-of-the-thz-thz-raman-spectrum-of-bromoform-1905.13280"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpretation-of-the-thz-thz-raman-spectrum-of-bromoform-1905.13280"/></url>
<url><loc>https://scifaro.com/en/abs/second-order-multi-reference-algebraic-diagrammatic-construction-theory-for-photoelectron-spectra-of-strongly-correlated-systems-1905.13301</loc><lastmod>2020-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/second-order-multi-reference-algebraic-diagrammatic-construction-theory-for-photoelectron-spectra-of-strongly-correlated-systems-1905.13301"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/second-order-multi-reference-algebraic-diagrammatic-construction-theory-for-photoelectron-spectra-of-strongly-correlated-systems-1905.13301"/></url>
<url><loc>https://scifaro.com/en/abs/singlet-triplet-energy-gaps-of-organic-biradicals-and-polyacenes-with-auxiliary-field-quantum-monte-carlo-1905.13316</loc><lastmod>2019-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/singlet-triplet-energy-gaps-of-organic-biradicals-and-polyacenes-with-auxiliary-field-quantum-monte-carlo-1905.13316"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/singlet-triplet-energy-gaps-of-organic-biradicals-and-polyacenes-with-auxiliary-field-quantum-monte-carlo-1905.13316"/></url>
<url><loc>https://scifaro.com/en/abs/a-density-functional-extension-to-excited-state-mean-field-theory-1905.13346</loc><lastmod>2020-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-density-functional-extension-to-excited-state-mean-field-theory-1905.13346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-density-functional-extension-to-excited-state-mean-field-theory-1905.13346"/></url>
<url><loc>https://scifaro.com/en/abs/the-light-harvesting-complex-2-of-allochromatium-vinosum-b800-absorption-band-splitting-and-exciton-relaxation-1905.13623</loc><lastmod>2019-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-light-harvesting-complex-2-of-allochromatium-vinosum-b800-absorption-band-splitting-and-exciton-relaxation-1905.13623"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-light-harvesting-complex-2-of-allochromatium-vinosum-b800-absorption-band-splitting-and-exciton-relaxation-1905.13623"/></url>
<url><loc>https://scifaro.com/en/abs/fifth-geometric-arithmetic-index-vs-atom-bond-connectivity-index-and-heat-of-formation-1905.13679</loc><lastmod>2019-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fifth-geometric-arithmetic-index-vs-atom-bond-connectivity-index-and-heat-of-formation-1905.13679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fifth-geometric-arithmetic-index-vs-atom-bond-connectivity-index-and-heat-of-formation-1905.13679"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-investigation-of-size-shape-and-aspect-ratio-effect-on-the-lspr-sensitivity-of-hollow-gold-nanoshells-1905.13700</loc><lastmod>2019-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-investigation-of-size-shape-and-aspect-ratio-effect-on-the-lspr-sensitivity-of-hollow-gold-nanoshells-1905.13700"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-investigation-of-size-shape-and-aspect-ratio-effect-on-the-lspr-sensitivity-of-hollow-gold-nanoshells-1905.13700"/></url>
<url><loc>https://scifaro.com/en/abs/a-grid-based-ehrenfest-model-to-study-electron-nuclear-processes-1905.13702</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-grid-based-ehrenfest-model-to-study-electron-nuclear-processes-1905.13702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-grid-based-ehrenfest-model-to-study-electron-nuclear-processes-1905.13702"/></url>
<url><loc>https://scifaro.com/en/abs/a-multi-resolution-3d-densenet-for-chemical-shift-prediction-in-nmr-crystallography-1906.00102</loc><lastmod>2019-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multi-resolution-3d-densenet-for-chemical-shift-prediction-in-nmr-crystallography-1906.00102"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multi-resolution-3d-densenet-for-chemical-shift-prediction-in-nmr-crystallography-1906.00102"/></url>
<url><loc>https://scifaro.com/en/abs/photoinduced-anomalous-coulomb-blockade-and-the-role-of-triplet-states-in-electron-transport-through-an-irradiated-molecular-transistor-ii-effects-of-electron-phonon-coupling-and-vibrational-relaxation-1906.00615</loc><lastmod>2021-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoinduced-anomalous-coulomb-blockade-and-the-role-of-triplet-states-in-electron-transport-through-an-irradiated-molecular-transistor-ii-effects-of-electron-phonon-coupling-and-vibrational-relaxation-1906.00615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoinduced-anomalous-coulomb-blockade-and-the-role-of-triplet-states-in-electron-transport-through-an-irradiated-molecular-transistor-ii-effects-of-electron-phonon-coupling-and-vibrational-relaxation-1906.00615"/></url>
<url><loc>https://scifaro.com/en/abs/functional-extrapolations-to-tame-unbound-anions-in-density-functional-theory-calculations-1906.00822</loc><lastmod>2019-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/functional-extrapolations-to-tame-unbound-anions-in-density-functional-theory-calculations-1906.00822"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/functional-extrapolations-to-tame-unbound-anions-in-density-functional-theory-calculations-1906.00822"/></url>
<url><loc>https://scifaro.com/en/abs/exciton-dissociation-and-charge-separation-at-donor-acceptor-interfaces-from-quantum-classical-dynamics-simulations-1906.00869</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exciton-dissociation-and-charge-separation-at-donor-acceptor-interfaces-from-quantum-classical-dynamics-simulations-1906.00869"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exciton-dissociation-and-charge-separation-at-donor-acceptor-interfaces-from-quantum-classical-dynamics-simulations-1906.00869"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-orbital-angular-momentum-constraints-in-the-variational-optimization-of-the-two-electron-reduced-density-matrix-1906.00922</loc><lastmod>2019-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-orbital-angular-momentum-constraints-in-the-variational-optimization-of-the-two-electron-reduced-density-matrix-1906.00922"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-orbital-angular-momentum-constraints-in-the-variational-optimization-of-the-two-electron-reduced-density-matrix-1906.00922"/></url>
<url><loc>https://scifaro.com/en/abs/energy-relaxation-and-thermal-diffusion-in-ir-pump-probe-spectroscopy-of-hydrogen-bonded-liquids-1906.01024</loc><lastmod>2019-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-relaxation-and-thermal-diffusion-in-ir-pump-probe-spectroscopy-of-hydrogen-bonded-liquids-1906.01024"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-relaxation-and-thermal-diffusion-in-ir-pump-probe-spectroscopy-of-hydrogen-bonded-liquids-1906.01024"/></url>
<url><loc>https://scifaro.com/en/abs/three-waves-of-chemical-dynamics-1906.01073</loc><lastmod>2019-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/three-waves-of-chemical-dynamics-1906.01073"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/three-waves-of-chemical-dynamics-1906.01073"/></url>
<url><loc>https://scifaro.com/en/abs/natural-deep-eutectic-solvents-as-agents-for-improving-solubility-stability-and-delivery-of-curcumin-1906.02105</loc><lastmod>2019-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/natural-deep-eutectic-solvents-as-agents-for-improving-solubility-stability-and-delivery-of-curcumin-1906.02105"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/natural-deep-eutectic-solvents-as-agents-for-improving-solubility-stability-and-delivery-of-curcumin-1906.02105"/></url>
<url><loc>https://scifaro.com/en/abs/third-order-m-o-ller-plesset-perturbation-theory-made-useful-choice-of-orbitals-and-scaling-greatly-improves-accuracy-for-thermochemistry-kinetics-and-intermolecular-interactions-1906.02442</loc><lastmod>2019-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/third-order-m-o-ller-plesset-perturbation-theory-made-useful-choice-of-orbitals-and-scaling-greatly-improves-accuracy-for-thermochemistry-kinetics-and-intermolecular-interactions-1906.02442"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/third-order-m-o-ller-plesset-perturbation-theory-made-useful-choice-of-orbitals-and-scaling-greatly-improves-accuracy-for-thermochemistry-kinetics-and-intermolecular-interactions-1906.02442"/></url>
<url><loc>https://scifaro.com/en/abs/required-number-of-states-increases-only-moderately-with-the-problem-size-for-antisymmetrized-geminal-powers-1906.02478</loc><lastmod>2019-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/required-number-of-states-increases-only-moderately-with-the-problem-size-for-antisymmetrized-geminal-powers-1906.02478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/required-number-of-states-increases-only-moderately-with-the-problem-size-for-antisymmetrized-geminal-powers-1906.02478"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-evidence-for-the-sensitivity-of-charge-rearrangement-enhanced-x-ray-ionization-to-molecular-size-1906.02544</loc><lastmod>2019-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-evidence-for-the-sensitivity-of-charge-rearrangement-enhanced-x-ray-ionization-to-molecular-size-1906.02544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-evidence-for-the-sensitivity-of-charge-rearrangement-enhanced-x-ray-ionization-to-molecular-size-1906.02544"/></url>
<url><loc>https://scifaro.com/en/abs/exact-potential-energy-surface-for-molecules-in-cavities-1906.02651</loc><lastmod>2019-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-potential-energy-surface-for-molecules-in-cavities-1906.02651"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-potential-energy-surface-for-molecules-in-cavities-1906.02651"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-predictions-of-volatile-plutonium-thermodynamic-properties-1906.03157</loc><lastmod>2020-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-predictions-of-volatile-plutonium-thermodynamic-properties-1906.03157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-predictions-of-volatile-plutonium-thermodynamic-properties-1906.03157"/></url>
<url><loc>https://scifaro.com/en/abs/fully-quantum-embedding-with-density-functional-theory-for-full-configuration-interaction-quantum-monte-carlo-1906.03699</loc><lastmod>2019-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fully-quantum-embedding-with-density-functional-theory-for-full-configuration-interaction-quantum-monte-carlo-1906.03699"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fully-quantum-embedding-with-density-functional-theory-for-full-configuration-interaction-quantum-monte-carlo-1906.03699"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-transitions-for-a-fully-polarizable-qm-mm-approach-based-on-fluctuating-charges-and-fluctuating-dipoles-linear-and-corrected-linear-response-regimes-1906.03852</loc><lastmod>2022-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-transitions-for-a-fully-polarizable-qm-mm-approach-based-on-fluctuating-charges-and-fluctuating-dipoles-linear-and-corrected-linear-response-regimes-1906.03852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-transitions-for-a-fully-polarizable-qm-mm-approach-based-on-fluctuating-charges-and-fluctuating-dipoles-linear-and-corrected-linear-response-regimes-1906.03852"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-calculation-of-ir-spectra-with-a-fully-polarizable-qm-mm-approach-based-on-fluctuating-charges-and-fluctuating-dipoles-1906.03862</loc><lastmod>2022-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-calculation-of-ir-spectra-with-a-fully-polarizable-qm-mm-approach-based-on-fluctuating-charges-and-fluctuating-dipoles-1906.03862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-calculation-of-ir-spectra-with-a-fully-polarizable-qm-mm-approach-based-on-fluctuating-charges-and-fluctuating-dipoles-1906.03862"/></url>
<url><loc>https://scifaro.com/en/abs/an-optimized-twist-angle-to-find-the-twist-averaged-correlation-energy-applied-to-the-uniform-electron-gas-1906.04372</loc><lastmod>2019-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-optimized-twist-angle-to-find-the-twist-averaged-correlation-energy-applied-to-the-uniform-electron-gas-1906.04372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-optimized-twist-angle-to-find-the-twist-averaged-correlation-energy-applied-to-the-uniform-electron-gas-1906.04372"/></url>
<url><loc>https://scifaro.com/en/abs/multi-level-quantum-rabi-model-for-anharmonic-vibrational-polaritons-1906.04374</loc><lastmod>2019-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-level-quantum-rabi-model-for-anharmonic-vibrational-polaritons-1906.04374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-level-quantum-rabi-model-for-anharmonic-vibrational-polaritons-1906.04374"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-the-nof-mp2-method-in-hydrogen-abstraction-reactions-1906.04432</loc><lastmod>2019-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-the-nof-mp2-method-in-hydrogen-abstraction-reactions-1906.04432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-the-nof-mp2-method-in-hydrogen-abstraction-reactions-1906.04432"/></url>
<url><loc>https://scifaro.com/en/abs/evaluating-two-electron-repulsion-integrals-over-arbitrary-orbitals-using-zero-variance-monte-carlo-application-to-full-configuration-interaction-calculations-with-slater-type-orbitals-1906.04515</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaluating-two-electron-repulsion-integrals-over-arbitrary-orbitals-using-zero-variance-monte-carlo-application-to-full-configuration-interaction-calculations-with-slater-type-orbitals-1906.04515"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaluating-two-electron-repulsion-integrals-over-arbitrary-orbitals-using-zero-variance-monte-carlo-application-to-full-configuration-interaction-calculations-with-slater-type-orbitals-1906.04515"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-dependent-structure-and-dynamics-of-isopropanol-water-liquid-mixtures-at-low-alcohol-content-1906.04615</loc><lastmod>2019-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-dependent-structure-and-dynamics-of-isopropanol-water-liquid-mixtures-at-low-alcohol-content-1906.04615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-dependent-structure-and-dynamics-of-isopropanol-water-liquid-mixtures-at-low-alcohol-content-1906.04615"/></url>
<url><loc>https://scifaro.com/en/abs/bridging-the-physics-and-chemistry-of-graphene-from-huckel-aromaticity-to-dirac-cones-and-topological-insulators-1906.04758</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bridging-the-physics-and-chemistry-of-graphene-from-huckel-aromaticity-to-dirac-cones-and-topological-insulators-1906.04758"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bridging-the-physics-and-chemistry-of-graphene-from-huckel-aromaticity-to-dirac-cones-and-topological-insulators-1906.04758"/></url>
<url><loc>https://scifaro.com/en/abs/formation-of-structure-for-gas-liquid-non-equilibrium-polymer-media-1906.04764</loc><lastmod>2019-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-of-structure-for-gas-liquid-non-equilibrium-polymer-media-1906.04764"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-of-structure-for-gas-liquid-non-equilibrium-polymer-media-1906.04764"/></url>
<url><loc>https://scifaro.com/en/abs/energy-transfer-times-in-fluorographene-based-biomimetic-light-harvesting-antennae-1906.04906</loc><lastmod>2019-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-transfer-times-in-fluorographene-based-biomimetic-light-harvesting-antennae-1906.04906"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-transfer-times-in-fluorographene-based-biomimetic-light-harvesting-antennae-1906.04906"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-investigation-of-nucleobases-by-means-of-divide-and-conquer-semiclassical-dynamics-1906.05640</loc><lastmod>2019-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-investigation-of-nucleobases-by-means-of-divide-and-conquer-semiclassical-dynamics-1906.05640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-investigation-of-nucleobases-by-means-of-divide-and-conquer-semiclassical-dynamics-1906.05640"/></url>
<url><loc>https://scifaro.com/en/abs/study-of-a-water-graphene-capacitor-with-molecular-density-functional-theory-1906.05788</loc><lastmod>2019-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-of-a-water-graphene-capacitor-with-molecular-density-functional-theory-1906.05788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-of-a-water-graphene-capacitor-with-molecular-density-functional-theory-1906.05788"/></url>
<url><loc>https://scifaro.com/en/abs/strict-equivalence-between-maxwell-stefan-and-fast-mode-theory-for-multicomponent-polymer-mixtures-1906.06201</loc><lastmod>2019-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strict-equivalence-between-maxwell-stefan-and-fast-mode-theory-for-multicomponent-polymer-mixtures-1906.06201"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strict-equivalence-between-maxwell-stefan-and-fast-mode-theory-for-multicomponent-polymer-mixtures-1906.06201"/></url>
<url><loc>https://scifaro.com/en/abs/deconvolution-of-isotopic-pattern-in-2d-fticr-mass-spectrometry-of-peptides-and-proteins-1906.06218</loc><lastmod>2019-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deconvolution-of-isotopic-pattern-in-2d-fticr-mass-spectrometry-of-peptides-and-proteins-1906.06218"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deconvolution-of-isotopic-pattern-in-2d-fticr-mass-spectrometry-of-peptides-and-proteins-1906.06218"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-long-distance-energy-transport-in-molecular-systems-through-adiabatic-passage-1906.06244</loc><lastmod>2020-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-long-distance-energy-transport-in-molecular-systems-through-adiabatic-passage-1906.06244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-long-distance-energy-transport-in-molecular-systems-through-adiabatic-passage-1906.06244"/></url>
<url><loc>https://scifaro.com/en/abs/benchmarking-conductivity-predictions-of-the-advanced-electrolyte-model-aem-for-aqueous-systems-1906.06426</loc><lastmod>2019-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-conductivity-predictions-of-the-advanced-electrolyte-model-aem-for-aqueous-systems-1906.06426"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-conductivity-predictions-of-the-advanced-electrolyte-model-aem-for-aqueous-systems-1906.06426"/></url>
<url><loc>https://scifaro.com/en/abs/polytetrahedral-short-range-order-and-crystallization-stability-in-supercooled-rm-cu-64-5-zr-35-5-metallic-liquid-1906.06689</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polytetrahedral-short-range-order-and-crystallization-stability-in-supercooled-rm-cu-64-5-zr-35-5-metallic-liquid-1906.06689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polytetrahedral-short-range-order-and-crystallization-stability-in-supercooled-rm-cu-64-5-zr-35-5-metallic-liquid-1906.06689"/></url>
<url><loc>https://scifaro.com/en/abs/phase-selection-and-microstructure-of-slowly-solidified-al-cu-fe-alloys-1906.06941</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-selection-and-microstructure-of-slowly-solidified-al-cu-fe-alloys-1906.06941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-selection-and-microstructure-of-slowly-solidified-al-cu-fe-alloys-1906.06941"/></url>
<url><loc>https://scifaro.com/en/abs/imaging-an-isolated-water-molecule-using-a-single-electron-wave-packet-1906.06998</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-an-isolated-water-molecule-using-a-single-electron-wave-packet-1906.06998"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-an-isolated-water-molecule-using-a-single-electron-wave-packet-1906.06998"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-study-of-noncentrosymmetric-transition-metal-monogermanide-b20-rhge-synthesized-at-high-temperature-and-pressure-1906.07278</loc><lastmod>2020-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-study-of-noncentrosymmetric-transition-metal-monogermanide-b20-rhge-synthesized-at-high-temperature-and-pressure-1906.07278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-study-of-noncentrosymmetric-transition-metal-monogermanide-b20-rhge-synthesized-at-high-temperature-and-pressure-1906.07278"/></url>
<url><loc>https://scifaro.com/en/abs/stability-of-vacancy-free-crystalline-phases-of-titanium-monoxide-at-high-pressure-and-temperature-1906.07279</loc><lastmod>2020-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stability-of-vacancy-free-crystalline-phases-of-titanium-monoxide-at-high-pressure-and-temperature-1906.07279"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stability-of-vacancy-free-crystalline-phases-of-titanium-monoxide-at-high-pressure-and-temperature-1906.07279"/></url>
<url><loc>https://scifaro.com/en/abs/reactive-atomistic-simulations-of-diels-alder-reactions-the-importance-of-molecular-rotations-1906.07455</loc><lastmod>2019-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactive-atomistic-simulations-of-diels-alder-reactions-the-importance-of-molecular-rotations-1906.07455"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactive-atomistic-simulations-of-diels-alder-reactions-the-importance-of-molecular-rotations-1906.07455"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-free-energy-profiles-from-force-spectroscopy-experiments-by-inversion-of-observed-committors-1906.07963</loc><lastmod>2019-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-free-energy-profiles-from-force-spectroscopy-experiments-by-inversion-of-observed-committors-1906.07963"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-free-energy-profiles-from-force-spectroscopy-experiments-by-inversion-of-observed-committors-1906.07963"/></url>
<url><loc>https://scifaro.com/en/abs/microscopic-details-of-asphaltenes-aggregation-onset-during-waterflooding-1906.08105</loc><lastmod>2019-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microscopic-details-of-asphaltenes-aggregation-onset-during-waterflooding-1906.08105"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microscopic-details-of-asphaltenes-aggregation-onset-during-waterflooding-1906.08105"/></url>
<url><loc>https://scifaro.com/en/abs/asphaltene-aggregation-onset-during-high-salinity-waterflooding-of-reservoirs-a-molecular-dynamic-study-1906.08114</loc><lastmod>2019-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asphaltene-aggregation-onset-during-high-salinity-waterflooding-of-reservoirs-a-molecular-dynamic-study-1906.08114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asphaltene-aggregation-onset-during-high-salinity-waterflooding-of-reservoirs-a-molecular-dynamic-study-1906.08114"/></url>
<url><loc>https://scifaro.com/en/abs/probing-multiphoton-light-induced-molecular-potentials-1906.08285</loc><lastmod>2020-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-multiphoton-light-induced-molecular-potentials-1906.08285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-multiphoton-light-induced-molecular-potentials-1906.08285"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-allows-calibration-models-to-predict-trace-element-concentration-in-soil-with-generalized-libs-spectra-1906.08597</loc><lastmod>2019-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-allows-calibration-models-to-predict-trace-element-concentration-in-soil-with-generalized-libs-spectra-1906.08597"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-allows-calibration-models-to-predict-trace-element-concentration-in-soil-with-generalized-libs-spectra-1906.08597"/></url>
<url><loc>https://scifaro.com/en/abs/hiding-in-the-crowd-spectral-signatures-of-overcoordinated-hydrogen-bond-environments-1906.08897</loc><lastmod>2019-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hiding-in-the-crowd-spectral-signatures-of-overcoordinated-hydrogen-bond-environments-1906.08897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hiding-in-the-crowd-spectral-signatures-of-overcoordinated-hydrogen-bond-environments-1906.08897"/></url>
<url><loc>https://scifaro.com/en/abs/gaussian-process-based-refinement-of-dispersion-corrections-1906.09342</loc><lastmod>2019-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-process-based-refinement-of-dispersion-corrections-1906.09342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-process-based-refinement-of-dispersion-corrections-1906.09342"/></url>
<url><loc>https://scifaro.com/en/abs/ultracold-collisions-of-polyatomic-molecules-caoh-1906.09643</loc><lastmod>2019-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultracold-collisions-of-polyatomic-molecules-caoh-1906.09643"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultracold-collisions-of-polyatomic-molecules-caoh-1906.09643"/></url>
<url><loc>https://scifaro.com/en/abs/strong-vibrational-relaxation-of-no-scattered-from-au-111-importance-of-an-accurate-adiabatic-potential-energy-surface-1906.09773</loc><lastmod>2019-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-vibrational-relaxation-of-no-scattered-from-au-111-importance-of-an-accurate-adiabatic-potential-energy-surface-1906.09773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-vibrational-relaxation-of-no-scattered-from-au-111-importance-of-an-accurate-adiabatic-potential-energy-surface-1906.09773"/></url>
<url><loc>https://scifaro.com/en/abs/unifying-machine-learning-and-quantum-chemistry-a-deep-neural-network-for-molecular-wavefunctions-1906.10033</loc><lastmod>2019-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unifying-machine-learning-and-quantum-chemistry-a-deep-neural-network-for-molecular-wavefunctions-1906.10033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unifying-machine-learning-and-quantum-chemistry-a-deep-neural-network-for-molecular-wavefunctions-1906.10033"/></url>
<url><loc>https://scifaro.com/en/abs/the-exploration-of-chemical-reaction-networks-1906.10223</loc><lastmod>2020-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-exploration-of-chemical-reaction-networks-1906.10223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-exploration-of-chemical-reaction-networks-1906.10223"/></url>
<url><loc>https://scifaro.com/en/abs/scaled-and-dynamic-optimizations-of-nudged-elastic-bands-1906.10257</loc><lastmod>2023-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scaled-and-dynamic-optimizations-of-nudged-elastic-bands-1906.10257"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scaled-and-dynamic-optimizations-of-nudged-elastic-bands-1906.10257"/></url>
<url><loc>https://scifaro.com/en/abs/full-wave-function-optimization-with-quantum-monte-carlo-a-study-of-the-dissociation-energies-of-zno-feo-feh-and-crs-1906.10419</loc><lastmod>2019-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-wave-function-optimization-with-quantum-monte-carlo-a-study-of-the-dissociation-energies-of-zno-feo-feh-and-crs-1906.10419"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-wave-function-optimization-with-quantum-monte-carlo-a-study-of-the-dissociation-energies-of-zno-feo-feh-and-crs-1906.10419"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-dissociative-recombination-of-carbon-dioxide-1906.10429</loc><lastmod>2019-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-dissociative-recombination-of-carbon-dioxide-1906.10429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-dissociative-recombination-of-carbon-dioxide-1906.10429"/></url>
<url><loc>https://scifaro.com/en/abs/real-time-probing-of-chirality-during-a-chemical-reaction-1906.10818</loc><lastmod>2020-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-time-probing-of-chirality-during-a-chemical-reaction-1906.10818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-time-probing-of-chirality-during-a-chemical-reaction-1906.10818"/></url>
<url><loc>https://scifaro.com/en/abs/direct-quantification-of-water-surface-charge-by-phase-sensitive-second-harmonic-spectroscopy-1906.10942</loc><lastmod>2019-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-quantification-of-water-surface-charge-by-phase-sensitive-second-harmonic-spectroscopy-1906.10942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-quantification-of-water-surface-charge-by-phase-sensitive-second-harmonic-spectroscopy-1906.10942"/></url>
<url><loc>https://scifaro.com/en/abs/chemically-reversible-isomerization-of-inorganic-clusters-1906.10984</loc><lastmod>2019-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemically-reversible-isomerization-of-inorganic-clusters-1906.10984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemically-reversible-isomerization-of-inorganic-clusters-1906.10984"/></url>
<url><loc>https://scifaro.com/en/abs/near-100-co-selectivity-in-nanoscaled-iron-based-oxygen-carriers-for-chemical-looping-methane-partial-oxidation-1906.11160</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-100-co-selectivity-in-nanoscaled-iron-based-oxygen-carriers-for-chemical-looping-methane-partial-oxidation-1906.11160"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-100-co-selectivity-in-nanoscaled-iron-based-oxygen-carriers-for-chemical-looping-methane-partial-oxidation-1906.11160"/></url>
<url><loc>https://scifaro.com/en/abs/on-some-new-neighbourhood-degree-based-indices-1906.11215</loc><lastmod>2019-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-some-new-neighbourhood-degree-based-indices-1906.11215"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-some-new-neighbourhood-degree-based-indices-1906.11215"/></url>
<url><loc>https://scifaro.com/en/abs/geminal-based-configuration-interaction-1906.11361</loc><lastmod>2020-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geminal-based-configuration-interaction-1906.11361"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geminal-based-configuration-interaction-1906.11361"/></url>
<url><loc>https://scifaro.com/en/abs/feshbach-projection-xmcqdpt2-model-for-metastable-electronic-states-1906.11390</loc><lastmod>2019-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/feshbach-projection-xmcqdpt2-model-for-metastable-electronic-states-1906.11390"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/feshbach-projection-xmcqdpt2-model-for-metastable-electronic-states-1906.11390"/></url>
<url><loc>https://scifaro.com/en/abs/the-covalent-radii-derived-from-the-first-principle-data-1906.11724</loc><lastmod>2020-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-covalent-radii-derived-from-the-first-principle-data-1906.11724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-covalent-radii-derived-from-the-first-principle-data-1906.11724"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-vs-short-range-effects-in-cold-molecular-ion-neutral-collisions-charge-exchange-of-rb-with-n-2-and-o-2-1906.12285</loc><lastmod>2019-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-vs-short-range-effects-in-cold-molecular-ion-neutral-collisions-charge-exchange-of-rb-with-n-2-and-o-2-1906.12285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-vs-short-range-effects-in-cold-molecular-ion-neutral-collisions-charge-exchange-of-rb-with-n-2-and-o-2-1906.12285"/></url>
<url><loc>https://scifaro.com/en/abs/existence-and-nonexistence-of-homo-lumo-excitations-in-kohn-sham-density-functional-theory-1907.00064</loc><lastmod>2019-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/existence-and-nonexistence-of-homo-lumo-excitations-in-kohn-sham-density-functional-theory-1907.00064"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/existence-and-nonexistence-of-homo-lumo-excitations-in-kohn-sham-density-functional-theory-1907.00064"/></url>
<url><loc>https://scifaro.com/en/abs/exact-exchange-correlation-potential-of-effectively-interacting-kohn-sham-systems-1907.00183</loc><lastmod>2020-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-exchange-correlation-potential-of-effectively-interacting-kohn-sham-systems-1907.00183"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-exchange-correlation-potential-of-effectively-interacting-kohn-sham-systems-1907.00183"/></url>
<url><loc>https://scifaro.com/en/abs/system-size-dependence-of-hydration-shell-occupancy-1907.00238</loc><lastmod>2019-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/system-size-dependence-of-hydration-shell-occupancy-1907.00238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/system-size-dependence-of-hydration-shell-occupancy-1907.00238"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-dynamics-in-the-mixed-quantum-classical-limit-1907.00252</loc><lastmod>2019-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-dynamics-in-the-mixed-quantum-classical-limit-1907.00252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-dynamics-in-the-mixed-quantum-classical-limit-1907.00252"/></url>
<url><loc>https://scifaro.com/en/abs/automatic-routing-of-goldstone-diagrams-using-genetic-algorithms-1907.00426</loc><lastmod>2023-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automatic-routing-of-goldstone-diagrams-using-genetic-algorithms-1907.00426"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automatic-routing-of-goldstone-diagrams-using-genetic-algorithms-1907.00426"/></url>
<url><loc>https://scifaro.com/en/abs/a-demonstration-of-consistency-between-the-quantum-classical-liouville-equation-and-berry-s-phase-and-curvature-1907.00851</loc><lastmod>2020-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-demonstration-of-consistency-between-the-quantum-classical-liouville-equation-and-berry-s-phase-and-curvature-1907.00851"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-demonstration-of-consistency-between-the-quantum-classical-liouville-equation-and-berry-s-phase-and-curvature-1907.00851"/></url>
<url><loc>https://scifaro.com/en/abs/chemically-accurate-excitation-energies-with-small-basis-sets-1907.01245</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemically-accurate-excitation-energies-with-small-basis-sets-1907.01245"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemically-accurate-excitation-energies-with-small-basis-sets-1907.01245"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-retrosynthetic-reaction-using-self-corrected-transformer-neural-networks-1907.01356</loc><lastmod>2019-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-retrosynthetic-reaction-using-self-corrected-transformer-neural-networks-1907.01356"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-retrosynthetic-reaction-using-self-corrected-transformer-neural-networks-1907.01356"/></url>
<url><loc>https://scifaro.com/en/abs/large-presence-of-carbonic-acid-in-co-2-rich-aqueous-fluids-under-earth-s-mantle-conditions-1907.01833</loc><lastmod>2019-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/large-presence-of-carbonic-acid-in-co-2-rich-aqueous-fluids-under-earth-s-mantle-conditions-1907.01833"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/large-presence-of-carbonic-acid-in-co-2-rich-aqueous-fluids-under-earth-s-mantle-conditions-1907.01833"/></url>
<url><loc>https://scifaro.com/en/abs/a-nonequilibrium-variational-polaron-theory-to-study-quantum-heat-transport-1907.02126</loc><lastmod>2019-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-nonequilibrium-variational-polaron-theory-to-study-quantum-heat-transport-1907.02126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-nonequilibrium-variational-polaron-theory-to-study-quantum-heat-transport-1907.02126"/></url>
<url><loc>https://scifaro.com/en/abs/control-defeseance-by-anti-alignment-in-the-excited-state-1907.02878</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/control-defeseance-by-anti-alignment-in-the-excited-state-1907.02878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/control-defeseance-by-anti-alignment-in-the-excited-state-1907.02878"/></url>
<url><loc>https://scifaro.com/en/abs/path-integral-dynamics-of-water-using-curvilinear-centroids-1907.03096</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/path-integral-dynamics-of-water-using-curvilinear-centroids-1907.03096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/path-integral-dynamics-of-water-using-curvilinear-centroids-1907.03096"/></url>
<url><loc>https://scifaro.com/en/abs/encapsulation-of-oils-and-fragrances-by-core-in-shell-structures-from-silica-particles-polymers-and-surfactants-the-brick-and-mortar-concept-1907.03124</loc><lastmod>2020-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/encapsulation-of-oils-and-fragrances-by-core-in-shell-structures-from-silica-particles-polymers-and-surfactants-the-brick-and-mortar-concept-1907.03124"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/encapsulation-of-oils-and-fragrances-by-core-in-shell-structures-from-silica-particles-polymers-and-surfactants-the-brick-and-mortar-concept-1907.03124"/></url>
<url><loc>https://scifaro.com/en/abs/marvel-analysis-of-the-measured-high-resolution-spectra-of-14-nh-1907.03237</loc><lastmod>2019-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/marvel-analysis-of-the-measured-high-resolution-spectra-of-14-nh-1907.03237"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/marvel-analysis-of-the-measured-high-resolution-spectra-of-14-nh-1907.03237"/></url>
<url><loc>https://scifaro.com/en/abs/noncovalent-interactions-of-hydrated-dna-and-rna-mapped-by-2d-ir-spectroscopy-1907.03575</loc><lastmod>2019-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noncovalent-interactions-of-hydrated-dna-and-rna-mapped-by-2d-ir-spectroscopy-1907.03575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noncovalent-interactions-of-hydrated-dna-and-rna-mapped-by-2d-ir-spectroscopy-1907.03575"/></url>
<url><loc>https://scifaro.com/en/abs/resolution-limit-of-data-driven-coarse-grained-models-spanning-chemical-space-1907.04082</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resolution-limit-of-data-driven-coarse-grained-models-spanning-chemical-space-1907.04082"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resolution-limit-of-data-driven-coarse-grained-models-spanning-chemical-space-1907.04082"/></url>
<url><loc>https://scifaro.com/en/abs/long-lived-nuclear-coherences-inside-helium-nanodroplets-1907.04157</loc><lastmod>2020-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-lived-nuclear-coherences-inside-helium-nanodroplets-1907.04157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-lived-nuclear-coherences-inside-helium-nanodroplets-1907.04157"/></url>
<url><loc>https://scifaro.com/en/abs/singling-out-dynamic-and-nondynamic-correlation-1907.04256</loc><lastmod>2019-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/singling-out-dynamic-and-nondynamic-correlation-1907.04256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/singling-out-dynamic-and-nondynamic-correlation-1907.04256"/></url>
<url><loc>https://scifaro.com/en/abs/approximating-free-energy-and-committor-landscapes-in-standard-transition-path-sampling-using-virtual-interface-exchange-1907.04453</loc><lastmod>2019-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximating-free-energy-and-committor-landscapes-in-standard-transition-path-sampling-using-virtual-interface-exchange-1907.04453"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximating-free-energy-and-committor-landscapes-in-standard-transition-path-sampling-using-virtual-interface-exchange-1907.04453"/></url>
<url><loc>https://scifaro.com/en/abs/interplay-between-structural-hierarchy-and-exciton-diffusion-in-artificial-light-harvesting-1907.04604</loc><lastmod>2019-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interplay-between-structural-hierarchy-and-exciton-diffusion-in-artificial-light-harvesting-1907.04604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interplay-between-structural-hierarchy-and-exciton-diffusion-in-artificial-light-harvesting-1907.04604"/></url>
<url><loc>https://scifaro.com/en/abs/cascaded-f-orster-resonance-energy-transfer-and-role-of-the-relay-dye-1907.04622</loc><lastmod>2019-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cascaded-f-orster-resonance-energy-transfer-and-role-of-the-relay-dye-1907.04622"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cascaded-f-orster-resonance-energy-transfer-and-role-of-the-relay-dye-1907.04622"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-nanophotonic-and-polaritonic-chemistry-with-ab-initio-potential-energy-surfaces-1907.04646</loc><lastmod>2019-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-nanophotonic-and-polaritonic-chemistry-with-ab-initio-potential-energy-surfaces-1907.04646"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-nanophotonic-and-polaritonic-chemistry-with-ab-initio-potential-energy-surfaces-1907.04646"/></url>
<url><loc>https://scifaro.com/en/abs/eppur-si-riscalda-and-yet-it-just-heats-up-further-comments-on-quantifying-hot-carrier-and-thermal-contributions-in-plasmonic-photocatalysis-1907.04773</loc><lastmod>2019-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eppur-si-riscalda-and-yet-it-just-heats-up-further-comments-on-quantifying-hot-carrier-and-thermal-contributions-in-plasmonic-photocatalysis-1907.04773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eppur-si-riscalda-and-yet-it-just-heats-up-further-comments-on-quantifying-hot-carrier-and-thermal-contributions-in-plasmonic-photocatalysis-1907.04773"/></url>
<url><loc>https://scifaro.com/en/abs/partition-of-optical-properties-into-orbital-contributions-1907.04783</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/partition-of-optical-properties-into-orbital-contributions-1907.04783"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/partition-of-optical-properties-into-orbital-contributions-1907.04783"/></url>
<url><loc>https://scifaro.com/en/abs/nonrigidity-effects-a-missing-puzzle-piece-in-the-description-of-low-energy-anisotropic-molecular-collisions-1907.05130</loc><lastmod>2020-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonrigidity-effects-a-missing-puzzle-piece-in-the-description-of-low-energy-anisotropic-molecular-collisions-1907.05130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonrigidity-effects-a-missing-puzzle-piece-in-the-description-of-low-energy-anisotropic-molecular-collisions-1907.05130"/></url>
<url><loc>https://scifaro.com/en/abs/sub-femtosecond-tracing-of-molecular-dynamics-during-strong-field-interaction-1907.05347</loc><lastmod>2020-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sub-femtosecond-tracing-of-molecular-dynamics-during-strong-field-interaction-1907.05347"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sub-femtosecond-tracing-of-molecular-dynamics-during-strong-field-interaction-1907.05347"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-global-structure-optimization-with-a-machine-learned-surrogate-model-1907.05741</loc><lastmod>2020-03-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-global-structure-optimization-with-a-machine-learned-surrogate-model-1907.05741"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-global-structure-optimization-with-a-machine-learned-surrogate-model-1907.05741"/></url>
<url><loc>https://scifaro.com/en/abs/extending-generalized-debye-analysis-to-long-timescale-magnetic-relaxation-1907.05962</loc><lastmod>2019-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extending-generalized-debye-analysis-to-long-timescale-magnetic-relaxation-1907.05962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extending-generalized-debye-analysis-to-long-timescale-magnetic-relaxation-1907.05962"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-approach-for-learning-coarse-grained-potentials-with-application-to-immiscible-fluids-1907.06144</loc><lastmod>2019-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-approach-for-learning-coarse-grained-potentials-with-application-to-immiscible-fluids-1907.06144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-approach-for-learning-coarse-grained-potentials-with-application-to-immiscible-fluids-1907.06144"/></url>
<url><loc>https://scifaro.com/en/abs/embedded-atom-neural-network-potentials-efficient-and-accurate-machine-learning-with-a-physically-inspired-representation-1907.06159</loc><lastmod>2019-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/embedded-atom-neural-network-potentials-efficient-and-accurate-machine-learning-with-a-physically-inspired-representation-1907.06159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/embedded-atom-neural-network-potentials-efficient-and-accurate-machine-learning-with-a-physically-inspired-representation-1907.06159"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-and-incoherent-theories-for-photosynthetic-energy-transfer-1907.06528</loc><lastmod>2020-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-and-incoherent-theories-for-photosynthetic-energy-transfer-1907.06528"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-and-incoherent-theories-for-photosynthetic-energy-transfer-1907.06528"/></url>
<url><loc>https://scifaro.com/en/abs/atoms-in-molecules-from-alchemical-perturbation-density-functional-theory-1907.06677</loc><lastmod>2020-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atoms-in-molecules-from-alchemical-perturbation-density-functional-theory-1907.06677"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atoms-in-molecules-from-alchemical-perturbation-density-functional-theory-1907.06677"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-solid-liquid-interface-reactions-with-next-generation-extended-lagrangian-quantum-based-molecular-dynamics-1907.06721</loc><lastmod>2020-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-solid-liquid-interface-reactions-with-next-generation-extended-lagrangian-quantum-based-molecular-dynamics-1907.06721"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-solid-liquid-interface-reactions-with-next-generation-extended-lagrangian-quantum-based-molecular-dynamics-1907.06721"/></url>
<url><loc>https://scifaro.com/en/abs/curvature-affects-electrolyte-relaxation-studies-of-spherical-and-cylindrical-electrodes-1907.06894</loc><lastmod>2019-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/curvature-affects-electrolyte-relaxation-studies-of-spherical-and-cylindrical-electrodes-1907.06894"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/curvature-affects-electrolyte-relaxation-studies-of-spherical-and-cylindrical-electrodes-1907.06894"/></url>
<url><loc>https://scifaro.com/en/abs/compound-tunable-embedding-potential-method-and-its-application-to-fersmite-crystal-1907.06947</loc><lastmod>2021-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compound-tunable-embedding-potential-method-and-its-application-to-fersmite-crystal-1907.06947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compound-tunable-embedding-potential-method-and-its-application-to-fersmite-crystal-1907.06947"/></url>
<url><loc>https://scifaro.com/en/abs/a-scalable-molecular-force-field-parameterization-method-based-on-density-functional-theory-and-quantum-level-machine-learning-1907.06952</loc><lastmod>2019-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-scalable-molecular-force-field-parameterization-method-based-on-density-functional-theory-and-quantum-level-machine-learning-1907.06952"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-scalable-molecular-force-field-parameterization-method-based-on-density-functional-theory-and-quantum-level-machine-learning-1907.06952"/></url>
<url><loc>https://scifaro.com/en/abs/detecting-coherent-core-hole-wave-packet-dynamics-in-n2-by-time-and-angle-resolved-inner-shell-photoelectron-spectroscopy-1907.06993</loc><lastmod>2019-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detecting-coherent-core-hole-wave-packet-dynamics-in-n2-by-time-and-angle-resolved-inner-shell-photoelectron-spectroscopy-1907.06993"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detecting-coherent-core-hole-wave-packet-dynamics-in-n2-by-time-and-angle-resolved-inner-shell-photoelectron-spectroscopy-1907.06993"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-properties-of-the-3d-lennard-jones-spline-model-1907.07039</loc><lastmod>2019-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-properties-of-the-3d-lennard-jones-spline-model-1907.07039"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-properties-of-the-3d-lennard-jones-spline-model-1907.07039"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-transition-state-energies-in-the-hcn-hnc-isomerization-with-an-algebraic-model-1907.07290</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-transition-state-energies-in-the-hcn-hnc-isomerization-with-an-algebraic-model-1907.07290"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-transition-state-energies-in-the-hcn-hnc-isomerization-with-an-algebraic-model-1907.07290"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-chemical-theory-for-anion-hydration-and-specific-ion-effects-cl-aq-emph-vs-f-aq-1907.07644</loc><lastmod>2021-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-chemical-theory-for-anion-hydration-and-specific-ion-effects-cl-aq-emph-vs-f-aq-1907.07644"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-chemical-theory-for-anion-hydration-and-specific-ion-effects-cl-aq-emph-vs-f-aq-1907.07644"/></url>
<url><loc>https://scifaro.com/en/abs/observing-the-3d-chemical-bond-and-its-energy-distribution-in-a-projected-space-1907.07720</loc><lastmod>2020-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observing-the-3d-chemical-bond-and-its-energy-distribution-in-a-projected-space-1907.07720"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observing-the-3d-chemical-bond-and-its-energy-distribution-in-a-projected-space-1907.07720"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-spectral-method-for-numerical-time-dependent-perturbation-theory-1907.07734</loc><lastmod>2020-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-spectral-method-for-numerical-time-dependent-perturbation-theory-1907.07734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-spectral-method-for-numerical-time-dependent-perturbation-theory-1907.07734"/></url>
<url><loc>https://scifaro.com/en/abs/ultrashort-pulse-two-photon-coherent-control-of-a-macroscopic-phenomena-light-induced-current-from-channelrhodopsin-2-in-live-brain-cells-1907.07741</loc><lastmod>2019-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrashort-pulse-two-photon-coherent-control-of-a-macroscopic-phenomena-light-induced-current-from-channelrhodopsin-2-in-live-brain-cells-1907.07741"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrashort-pulse-two-photon-coherent-control-of-a-macroscopic-phenomena-light-induced-current-from-channelrhodopsin-2-in-live-brain-cells-1907.07741"/></url>
<url><loc>https://scifaro.com/en/abs/properties-of-the-tetravalent-actinide-series-in-aqueous-phase-from-a-microscopic-simulation-automated-engine-1907.07906</loc><lastmod>2020-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/properties-of-the-tetravalent-actinide-series-in-aqueous-phase-from-a-microscopic-simulation-automated-engine-1907.07906"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/properties-of-the-tetravalent-actinide-series-in-aqueous-phase-from-a-microscopic-simulation-automated-engine-1907.07906"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-separation-of-sub-cycle-ionization-bursts-in-strong-field-double-ionization-of-h-2-1907.07932</loc><lastmod>2020-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-separation-of-sub-cycle-ionization-bursts-in-strong-field-double-ionization-of-h-2-1907.07932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-separation-of-sub-cycle-ionization-bursts-in-strong-field-double-ionization-of-h-2-1907.07932"/></url>
<url><loc>https://scifaro.com/en/abs/cayley-modification-for-strongly-stable-path-integral-and-ring-polymer-molecular-dynamics-1907.07941</loc><lastmod>2019-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cayley-modification-for-strongly-stable-path-integral-and-ring-polymer-molecular-dynamics-1907.07941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cayley-modification-for-strongly-stable-path-integral-and-ring-polymer-molecular-dynamics-1907.07941"/></url>
<url><loc>https://scifaro.com/en/abs/common-source-of-light-emission-and-nonlocal-molecular-manipulation-on-the-si-111-7x7-surface-1907.07964</loc><lastmod>2019-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/common-source-of-light-emission-and-nonlocal-molecular-manipulation-on-the-si-111-7x7-surface-1907.07964"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/common-source-of-light-emission-and-nonlocal-molecular-manipulation-on-the-si-111-7x7-surface-1907.07964"/></url>
<url><loc>https://scifaro.com/en/abs/interpolation-and-extrapolation-of-global-potential-energy-surfaces-for-polyatomic-systems-by-gaussian-processes-with-composite-kernels-1907.08717</loc><lastmod>2019-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpolation-and-extrapolation-of-global-potential-energy-surfaces-for-polyatomic-systems-by-gaussian-processes-with-composite-kernels-1907.08717"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpolation-and-extrapolation-of-global-potential-energy-surfaces-for-polyatomic-systems-by-gaussian-processes-with-composite-kernels-1907.08717"/></url>
<url><loc>https://scifaro.com/en/abs/density-dependent-finite-system-size-effects-in-equilibrium-molecular-dynamics-estimation-of-shear-viscosity-hydrodynamic-and-configurational-study-1907.08773</loc><lastmod>2019-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-dependent-finite-system-size-effects-in-equilibrium-molecular-dynamics-estimation-of-shear-viscosity-hydrodynamic-and-configurational-study-1907.08773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-dependent-finite-system-size-effects-in-equilibrium-molecular-dynamics-estimation-of-shear-viscosity-hydrodynamic-and-configurational-study-1907.08773"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-inconsistent-carbon-isotope-compositions-of-chlorine-isotopologue-pairs-of-individual-organochlorines-by-gas-chromatography-high-resolution-mass-spectrometry-1907.08897</loc><lastmod>2019-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-inconsistent-carbon-isotope-compositions-of-chlorine-isotopologue-pairs-of-individual-organochlorines-by-gas-chromatography-high-resolution-mass-spectrometry-1907.08897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-inconsistent-carbon-isotope-compositions-of-chlorine-isotopologue-pairs-of-individual-organochlorines-by-gas-chromatography-high-resolution-mass-spectrometry-1907.08897"/></url>
<url><loc>https://scifaro.com/en/abs/simultaneous-observation-of-concurrent-two-dimensional-carbon-and-chlorine-bromine-isotope-fractionations-of-halogenated-organic-compounds-on-gas-chromatography-1907.08900</loc><lastmod>2019-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simultaneous-observation-of-concurrent-two-dimensional-carbon-and-chlorine-bromine-isotope-fractionations-of-halogenated-organic-compounds-on-gas-chromatography-1907.08900"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simultaneous-observation-of-concurrent-two-dimensional-carbon-and-chlorine-bromine-isotope-fractionations-of-halogenated-organic-compounds-on-gas-chromatography-1907.08900"/></url>
<url><loc>https://scifaro.com/en/abs/energy-dependent-normal-and-unusually-large-inverse-chlorine-kinetic-isotope-effects-of-simple-chlorohydrocarbons-in-collision-induced-dissociation-by-gas-chromatography-tandem-mass-spectrometry-1907.08902</loc><lastmod>2019-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-dependent-normal-and-unusually-large-inverse-chlorine-kinetic-isotope-effects-of-simple-chlorohydrocarbons-in-collision-induced-dissociation-by-gas-chromatography-tandem-mass-spectrometry-1907.08902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-dependent-normal-and-unusually-large-inverse-chlorine-kinetic-isotope-effects-of-simple-chlorohydrocarbons-in-collision-induced-dissociation-by-gas-chromatography-tandem-mass-spectrometry-1907.08902"/></url>
<url><loc>https://scifaro.com/en/abs/ascertaining-hydrogen-abstraction-reaction-efficiencies-of-halogenated-organic-compounds-on-electron-ionization-mass-spectrometry-1907.08904</loc><lastmod>2019-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ascertaining-hydrogen-abstraction-reaction-efficiencies-of-halogenated-organic-compounds-on-electron-ionization-mass-spectrometry-1907.08904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ascertaining-hydrogen-abstraction-reaction-efficiencies-of-halogenated-organic-compounds-on-electron-ionization-mass-spectrometry-1907.08904"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-diffusion-and-chemotaxis-of-enzymes-1907.08909</loc><lastmod>2019-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-diffusion-and-chemotaxis-of-enzymes-1907.08909"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-diffusion-and-chemotaxis-of-enzymes-1907.08909"/></url>
<url><loc>https://scifaro.com/en/abs/nanoscale-ice-fracture-by-molecular-dynamics-simulations-1907.09018</loc><lastmod>2019-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanoscale-ice-fracture-by-molecular-dynamics-simulations-1907.09018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanoscale-ice-fracture-by-molecular-dynamics-simulations-1907.09018"/></url>
<url><loc>https://scifaro.com/en/abs/generalization-of-the-kelvin-equation-for-arbitrarily-curved-surfaces-1907.09229</loc><lastmod>2021-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalization-of-the-kelvin-equation-for-arbitrarily-curved-surfaces-1907.09229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalization-of-the-kelvin-equation-for-arbitrarily-curved-surfaces-1907.09229"/></url>
<url><loc>https://scifaro.com/en/abs/resonance-effects-in-the-raman-optical-activity-spectrum-of-rh-en-3-3-1907.09243</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resonance-effects-in-the-raman-optical-activity-spectrum-of-rh-en-3-3-1907.09243"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resonance-effects-in-the-raman-optical-activity-spectrum-of-rh-en-3-3-1907.09243"/></url>
<url><loc>https://scifaro.com/en/abs/generalised-single-particle-models-for-high-rate-operation-of-graded-lithium-ion-electrodes-systematic-derivation-and-validation-1907.09410</loc><lastmod>2019-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalised-single-particle-models-for-high-rate-operation-of-graded-lithium-ion-electrodes-systematic-derivation-and-validation-1907.09410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalised-single-particle-models-for-high-rate-operation-of-graded-lithium-ion-electrodes-systematic-derivation-and-validation-1907.09410"/></url>
<url><loc>https://scifaro.com/en/abs/high-harmonic-generation-spectroscopy-via-orbital-angular-momentum-1907.09549</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-harmonic-generation-spectroscopy-via-orbital-angular-momentum-1907.09549"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-harmonic-generation-spectroscopy-via-orbital-angular-momentum-1907.09549"/></url>
<url><loc>https://scifaro.com/en/abs/gibbs-energy-of-ices-iii-v-and-vi-wholistic-thermodynamics-and-elasticity-of-the-water-phase-diagram-to-2300-mpa-1907.09598</loc><lastmod>2019-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gibbs-energy-of-ices-iii-v-and-vi-wholistic-thermodynamics-and-elasticity-of-the-water-phase-diagram-to-2300-mpa-1907.09598"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gibbs-energy-of-ices-iii-v-and-vi-wholistic-thermodynamics-and-elasticity-of-the-water-phase-diagram-to-2300-mpa-1907.09598"/></url>
<url><loc>https://scifaro.com/en/abs/double-core-hole-valence-to-core-x-ray-emission-spectroscopy-a-theoretical-exploration-using-time-dependent-density-functional-theory-1907.10000</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-core-hole-valence-to-core-x-ray-emission-spectroscopy-a-theoretical-exploration-using-time-dependent-density-functional-theory-1907.10000"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-core-hole-valence-to-core-x-ray-emission-spectroscopy-a-theoretical-exploration-using-time-dependent-density-functional-theory-1907.10000"/></url>
<url><loc>https://scifaro.com/en/abs/h-3-as-a-five-body-problem-described-with-explicitly-correlated-gaussian-basis-sets-1907.10168</loc><lastmod>2019-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/h-3-as-a-five-body-problem-described-with-explicitly-correlated-gaussian-basis-sets-1907.10168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/h-3-as-a-five-body-problem-described-with-explicitly-correlated-gaussian-basis-sets-1907.10168"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-gradient-theory-for-strongly-contracted-sc-and-partially-contracted-pc-n-electron-valence-state-perturbation-theory-nevpt2-1907.10180</loc><lastmod>2020-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-gradient-theory-for-strongly-contracted-sc-and-partially-contracted-pc-n-electron-valence-state-perturbation-theory-nevpt2-1907.10180"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-gradient-theory-for-strongly-contracted-sc-and-partially-contracted-pc-n-electron-valence-state-perturbation-theory-nevpt2-1907.10180"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-structure-of-first-and-second-row-atoms-under-harmonic-confinement-1907.10186</loc><lastmod>2019-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-structure-of-first-and-second-row-atoms-under-harmonic-confinement-1907.10186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-structure-of-first-and-second-row-atoms-under-harmonic-confinement-1907.10186"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-the-u-eff-value-for-dft-u-calculation-of-paramagnetic-solid-state-nmr-shifts-by-double-fermi-contact-shift-verification-1907.10276</loc><lastmod>2019-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-the-u-eff-value-for-dft-u-calculation-of-paramagnetic-solid-state-nmr-shifts-by-double-fermi-contact-shift-verification-1907.10276"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-the-u-eff-value-for-dft-u-calculation-of-paramagnetic-solid-state-nmr-shifts-by-double-fermi-contact-shift-verification-1907.10276"/></url>
<url><loc>https://scifaro.com/en/abs/toolbox-approach-for-quasi-relativistic-calculation-of-molecular-properties-for-precision-tests-of-fundamental-physics-1907.10432</loc><lastmod>2020-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toolbox-approach-for-quasi-relativistic-calculation-of-molecular-properties-for-precision-tests-of-fundamental-physics-1907.10432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toolbox-approach-for-quasi-relativistic-calculation-of-molecular-properties-for-precision-tests-of-fundamental-physics-1907.10432"/></url>
<url><loc>https://scifaro.com/en/abs/continuous-radio-amplification-by-stimulated-emission-using-parahydrogen-induced-polarization-phip-raser-at-14-tesla-1907.10975</loc><lastmod>2020-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuous-radio-amplification-by-stimulated-emission-using-parahydrogen-induced-polarization-phip-raser-at-14-tesla-1907.10975"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuous-radio-amplification-by-stimulated-emission-using-parahydrogen-induced-polarization-phip-raser-at-14-tesla-1907.10975"/></url>
<url><loc>https://scifaro.com/en/abs/hierarchical-graph-to-graph-translation-for-molecules-1907.11223</loc><lastmod>2019-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hierarchical-graph-to-graph-translation-for-molecules-1907.11223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hierarchical-graph-to-graph-translation-for-molecules-1907.11223"/></url>
<url><loc>https://scifaro.com/en/abs/thermofield-theory-for-finite-temperature-coupled-cluster-1907.11286</loc><lastmod>2020-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermofield-theory-for-finite-temperature-coupled-cluster-1907.11286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermofield-theory-for-finite-temperature-coupled-cluster-1907.11286"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-coherence-in-the-plasmonic-control-of-molecular-absorption-1907.11660</loc><lastmod>2019-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-coherence-in-the-plasmonic-control-of-molecular-absorption-1907.11660"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-coherence-in-the-plasmonic-control-of-molecular-absorption-1907.11660"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-assessment-for-accuracy-and-gpu-acceleration-of-td-dmrg-time-evolution-schemes-1907.12044</loc><lastmod>2020-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-assessment-for-accuracy-and-gpu-acceleration-of-td-dmrg-time-evolution-schemes-1907.12044"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-assessment-for-accuracy-and-gpu-acceleration-of-td-dmrg-time-evolution-schemes-1907.12044"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-rovibrational-coupling-cartesian-dynamics-for-semiclassical-calculations-application-to-the-spectrum-of-the-zundel-cation-1907.12493</loc><lastmod>2019-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-rovibrational-coupling-cartesian-dynamics-for-semiclassical-calculations-application-to-the-spectrum-of-the-zundel-cation-1907.12493"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-rovibrational-coupling-cartesian-dynamics-for-semiclassical-calculations-application-to-the-spectrum-of-the-zundel-cation-1907.12493"/></url>
<url><loc>https://scifaro.com/en/abs/investigating-the-role-of-non-covalent-interactions-in-conformation-and-assembly-of-triazine-based-sequence-defined-polymers-1907.12730</loc><lastmod>2019-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigating-the-role-of-non-covalent-interactions-in-conformation-and-assembly-of-triazine-based-sequence-defined-polymers-1907.12730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigating-the-role-of-non-covalent-interactions-in-conformation-and-assembly-of-triazine-based-sequence-defined-polymers-1907.12730"/></url>
<url><loc>https://scifaro.com/en/abs/non-markovian-barrier-crossing-with-two-time-scale-memory-is-dominated-by-the-faster-memory-component-1907.12883</loc><lastmod>2020-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-markovian-barrier-crossing-with-two-time-scale-memory-is-dominated-by-the-faster-memory-component-1907.12883"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-markovian-barrier-crossing-with-two-time-scale-memory-is-dominated-by-the-faster-memory-component-1907.12883"/></url>
<url><loc>https://scifaro.com/en/abs/three-dimensional-solitary-waves-with-electrically-tunable-direction-of-propagation-in-nematics-1907.13287</loc><lastmod>2019-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/three-dimensional-solitary-waves-with-electrically-tunable-direction-of-propagation-in-nematics-1907.13287"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/three-dimensional-solitary-waves-with-electrically-tunable-direction-of-propagation-in-nematics-1907.13287"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-persistent-orientation-of-chiral-molecules-by-laser-field-with-twisted-polarization-1907.13332</loc><lastmod>2020-03-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-persistent-orientation-of-chiral-molecules-by-laser-field-with-twisted-polarization-1907.13332"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-persistent-orientation-of-chiral-molecules-by-laser-field-with-twisted-polarization-1907.13332"/></url>
<url><loc>https://scifaro.com/en/abs/near-linear-scaling-in-dmrg-based-tailored-coupled-clusters-an-implementation-of-dlpno-tccsd-and-dlpno-tccsd-t-1907.13466</loc><lastmod>2020-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-linear-scaling-in-dmrg-based-tailored-coupled-clusters-an-implementation-of-dlpno-tccsd-and-dlpno-tccsd-t-1907.13466"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-linear-scaling-in-dmrg-based-tailored-coupled-clusters-an-implementation-of-dlpno-tccsd-and-dlpno-tccsd-t-1907.13466"/></url>
<url><loc>https://scifaro.com/en/abs/definitions-of-local-density-in-density-dependent-potentials-for-mixtures-1907.13572</loc><lastmod>2020-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/definitions-of-local-density-in-density-dependent-potentials-for-mixtures-1907.13572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/definitions-of-local-density-in-density-dependent-potentials-for-mixtures-1907.13572"/></url>
<url><loc>https://scifaro.com/en/abs/ionically-generated-built-in-equilibrium-space-charge-zones-a-paradigm-change-for-lead-halide-perovskite-interfaces-1907.13618</loc><lastmod>2019-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionically-generated-built-in-equilibrium-space-charge-zones-a-paradigm-change-for-lead-halide-perovskite-interfaces-1907.13618"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionically-generated-built-in-equilibrium-space-charge-zones-a-paradigm-change-for-lead-halide-perovskite-interfaces-1907.13618"/></url>
<url><loc>https://scifaro.com/en/abs/review-of-newman-s-analytical-series-on-disk-electrodes-1908.00051</loc><lastmod>2020-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/review-of-newman-s-analytical-series-on-disk-electrodes-1908.00051"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/review-of-newman-s-analytical-series-on-disk-electrodes-1908.00051"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-ambient-stability-of-exfoliated-black-phosphorus-by-passivation-with-nickel-nanoparticles-1908.00237</loc><lastmod>2020-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-ambient-stability-of-exfoliated-black-phosphorus-by-passivation-with-nickel-nanoparticles-1908.00237"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-ambient-stability-of-exfoliated-black-phosphorus-by-passivation-with-nickel-nanoparticles-1908.00237"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-simple-and-intuitive-semiempirical-approximations-for-non-adiabatic-coupling-vectors-in-the-frame-of-lc-tddftb-1908.00276</loc><lastmod>2019-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-simple-and-intuitive-semiempirical-approximations-for-non-adiabatic-coupling-vectors-in-the-frame-of-lc-tddftb-1908.00276"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-simple-and-intuitive-semiempirical-approximations-for-non-adiabatic-coupling-vectors-in-the-frame-of-lc-tddftb-1908.00276"/></url>
<url><loc>https://scifaro.com/en/abs/wetting-behavior-of-supercooled-water-droplets-impinging-on-nanostructured-graphite-surface-a-molecular-dynamics-study-1908.00560</loc><lastmod>2019-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wetting-behavior-of-supercooled-water-droplets-impinging-on-nanostructured-graphite-surface-a-molecular-dynamics-study-1908.00560"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wetting-behavior-of-supercooled-water-droplets-impinging-on-nanostructured-graphite-surface-a-molecular-dynamics-study-1908.00560"/></url>
<url><loc>https://scifaro.com/en/abs/resonance-enhanced-two-photon-cavity-ring-down-spectroscopy-of-vibrational-overtone-bands-a-proposal-1908.00643</loc><lastmod>2019-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resonance-enhanced-two-photon-cavity-ring-down-spectroscopy-of-vibrational-overtone-bands-a-proposal-1908.00643"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resonance-enhanced-two-photon-cavity-ring-down-spectroscopy-of-vibrational-overtone-bands-a-proposal-1908.00643"/></url>
<url><loc>https://scifaro.com/en/abs/retrosynthesis-with-attention-based-nmt-model-and-chemical-analysis-of-the-wrong-predictions-1908.00727</loc><lastmod>2019-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/retrosynthesis-with-attention-based-nmt-model-and-chemical-analysis-of-the-wrong-predictions-1908.00727"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/retrosynthesis-with-attention-based-nmt-model-and-chemical-analysis-of-the-wrong-predictions-1908.00727"/></url>
<url><loc>https://scifaro.com/en/abs/generic-approach-for-the-modeling-of-liquefied-thermochemical-products-and-biomass-heat-of-formation-case-study-htl-biocrude-pyrolysis-oil-and-assessment-of-energy-requirements-1908.00799</loc><lastmod>2019-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generic-approach-for-the-modeling-of-liquefied-thermochemical-products-and-biomass-heat-of-formation-case-study-htl-biocrude-pyrolysis-oil-and-assessment-of-energy-requirements-1908.00799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generic-approach-for-the-modeling-of-liquefied-thermochemical-products-and-biomass-heat-of-formation-case-study-htl-biocrude-pyrolysis-oil-and-assessment-of-energy-requirements-1908.00799"/></url>
<url><loc>https://scifaro.com/en/abs/full-dimensional-12d-variational-vibrational-states-of-ch-4-cdot-f-interplay-of-anharmonicity-and-tunneling-1908.00809</loc><lastmod>2020-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-dimensional-12d-variational-vibrational-states-of-ch-4-cdot-f-interplay-of-anharmonicity-and-tunneling-1908.00809"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-dimensional-12d-variational-vibrational-states-of-ch-4-cdot-f-interplay-of-anharmonicity-and-tunneling-1908.00809"/></url>
<url><loc>https://scifaro.com/en/abs/a-topological-data-analysis-perspective-on-non-covalent-interactions-in-relativistic-calculations-1908.00911</loc><lastmod>2019-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-topological-data-analysis-perspective-on-non-covalent-interactions-in-relativistic-calculations-1908.00911"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-topological-data-analysis-perspective-on-non-covalent-interactions-in-relativistic-calculations-1908.00911"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-impedance-spectroscopy-for-lithium-batteries-1908.00962</loc><lastmod>2020-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-impedance-spectroscopy-for-lithium-batteries-1908.00962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-impedance-spectroscopy-for-lithium-batteries-1908.00962"/></url>
<url><loc>https://scifaro.com/en/abs/physical-machine-learning-outperforms-human-learning-in-quantum-chemistry-1908.00971</loc><lastmod>2020-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physical-machine-learning-outperforms-human-learning-in-quantum-chemistry-1908.00971"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physical-machine-learning-outperforms-human-learning-in-quantum-chemistry-1908.00971"/></url>
<url><loc>https://scifaro.com/en/abs/spectral-theory-of-imperfect-diffusion-controlled-reactions-on-heterogeneous-catalytic-surfaces-1908.01143</loc><lastmod>2019-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectral-theory-of-imperfect-diffusion-controlled-reactions-on-heterogeneous-catalytic-surfaces-1908.01143"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectral-theory-of-imperfect-diffusion-controlled-reactions-on-heterogeneous-catalytic-surfaces-1908.01143"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-nature-of-mean-field-semiclassical-light-matter-dynamics-an-investigation-of-energy-transfer-electron-electron-correlations-external-driving-and-long-time-detailed-balance-1908.01401</loc><lastmod>2019-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-nature-of-mean-field-semiclassical-light-matter-dynamics-an-investigation-of-energy-transfer-electron-electron-correlations-external-driving-and-long-time-detailed-balance-1908.01401"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-nature-of-mean-field-semiclassical-light-matter-dynamics-an-investigation-of-energy-transfer-electron-electron-correlations-external-driving-and-long-time-detailed-balance-1908.01401"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-and-accurate-description-of-adsorption-in-zeolites-1908.01490</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-and-accurate-description-of-adsorption-in-zeolites-1908.01490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-and-accurate-description-of-adsorption-in-zeolites-1908.01490"/></url>
<url><loc>https://scifaro.com/en/abs/high-pressure-effects-on-the-benzene-pre-crystallization-metastable-states-1908.01550</loc><lastmod>2019-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-pressure-effects-on-the-benzene-pre-crystallization-metastable-states-1908.01550"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-pressure-effects-on-the-benzene-pre-crystallization-metastable-states-1908.01550"/></url>
<url><loc>https://scifaro.com/en/abs/x-ray-diffraction-study-of-structure-and-molecular-correlations-in-liquid-1-3-5-triphenylbenzene-at-473-k-1908.02165</loc><lastmod>2019-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/x-ray-diffraction-study-of-structure-and-molecular-correlations-in-liquid-1-3-5-triphenylbenzene-at-473-k-1908.02165"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/x-ray-diffraction-study-of-structure-and-molecular-correlations-in-liquid-1-3-5-triphenylbenzene-at-473-k-1908.02165"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-mechanics-of-proteins-in-explicit-water-the-role-of-plasmon-like-solute-solvent-interactions-1908.02181</loc><lastmod>2019-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-mechanics-of-proteins-in-explicit-water-the-role-of-plasmon-like-solute-solvent-interactions-1908.02181"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-mechanics-of-proteins-in-explicit-water-the-role-of-plasmon-like-solute-solvent-interactions-1908.02181"/></url>
<url><loc>https://scifaro.com/en/abs/force-balance-approach-for-advanced-approximations-in-density-functional-theories-1908.02733</loc><lastmod>2019-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/force-balance-approach-for-advanced-approximations-in-density-functional-theories-1908.02733"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/force-balance-approach-for-advanced-approximations-in-density-functional-theories-1908.02733"/></url>
<url><loc>https://scifaro.com/en/abs/similarity-transformation-of-the-electronic-schr-odinger-equation-via-jastrow-factorisation-1908.02882</loc><lastmod>2019-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/similarity-transformation-of-the-electronic-schr-odinger-equation-via-jastrow-factorisation-1908.02882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/similarity-transformation-of-the-electronic-schr-odinger-equation-via-jastrow-factorisation-1908.02882"/></url>
<url><loc>https://scifaro.com/en/abs/photodissociation-as-a-probe-of-the-h-3-avoided-crossing-seam-1908.03162</loc><lastmod>2019-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photodissociation-as-a-probe-of-the-h-3-avoided-crossing-seam-1908.03162"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photodissociation-as-a-probe-of-the-h-3-avoided-crossing-seam-1908.03162"/></url>
<url><loc>https://scifaro.com/en/abs/descriptors-for-electrolyte-renormalized-oxidative-stability-of-solvents-in-lithium-ion-batteries-1908.03285</loc><lastmod>2019-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/descriptors-for-electrolyte-renormalized-oxidative-stability-of-solvents-in-lithium-ion-batteries-1908.03285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/descriptors-for-electrolyte-renormalized-oxidative-stability-of-solvents-in-lithium-ion-batteries-1908.03285"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-analysis-of-the-quantum-instanton-approximation-1908.03419</loc><lastmod>2019-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-analysis-of-the-quantum-instanton-approximation-1908.03419"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-analysis-of-the-quantum-instanton-approximation-1908.03419"/></url>
<url><loc>https://scifaro.com/en/abs/an-analysis-of-the-performance-of-coupled-cluster-methods-for-core-excitations-and-core-ionizations-using-standard-basis-sets-1908.03635</loc><lastmod>2019-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-analysis-of-the-performance-of-coupled-cluster-methods-for-core-excitations-and-core-ionizations-using-standard-basis-sets-1908.03635"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-analysis-of-the-performance-of-coupled-cluster-methods-for-core-excitations-and-core-ionizations-using-standard-basis-sets-1908.03635"/></url>
<url><loc>https://scifaro.com/en/abs/a-complete-osv-mp2-analytical-gradient-theory-for-molecular-structure-and-dynamics-simulations-1908.03674</loc><lastmod>2019-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-complete-osv-mp2-analytical-gradient-theory-for-molecular-structure-and-dynamics-simulations-1908.03674"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-complete-osv-mp2-analytical-gradient-theory-for-molecular-structure-and-dynamics-simulations-1908.03674"/></url>
<url><loc>https://scifaro.com/en/abs/noble-gases-in-carbonate-melts-constraints-on-the-solubility-and-the-surface-tension-by-molecular-dynamics-simulation-1908.03745</loc><lastmod>2019-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noble-gases-in-carbonate-melts-constraints-on-the-solubility-and-the-surface-tension-by-molecular-dynamics-simulation-1908.03745"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noble-gases-in-carbonate-melts-constraints-on-the-solubility-and-the-surface-tension-by-molecular-dynamics-simulation-1908.03745"/></url>
<url><loc>https://scifaro.com/en/abs/multistate-ring-polymer-instantons-and-nonadiabatic-reaction-rates-1908.03772</loc><lastmod>2020-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multistate-ring-polymer-instantons-and-nonadiabatic-reaction-rates-1908.03772"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multistate-ring-polymer-instantons-and-nonadiabatic-reaction-rates-1908.03772"/></url>
<url><loc>https://scifaro.com/en/abs/new-strategies-in-modeling-electronic-structures-and-properties-with-applications-to-actinides-1908.03916</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-strategies-in-modeling-electronic-structures-and-properties-with-applications-to-actinides-1908.03916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-strategies-in-modeling-electronic-structures-and-properties-with-applications-to-actinides-1908.03916"/></url>
<url><loc>https://scifaro.com/en/abs/energy-momentum-and-angular-momentum-transfer-between-electrons-and-nuclei-1908.04077</loc><lastmod>2022-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-momentum-and-angular-momentum-transfer-between-electrons-and-nuclei-1908.04077"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-momentum-and-angular-momentum-transfer-between-electrons-and-nuclei-1908.04077"/></url>
<url><loc>https://scifaro.com/en/abs/a-hybrid-approach-to-extending-selected-configuration-interaction-and-full-configuration-interaction-quantum-monte-carlo-1908.04158</loc><lastmod>2019-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-hybrid-approach-to-extending-selected-configuration-interaction-and-full-configuration-interaction-quantum-monte-carlo-1908.04158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-hybrid-approach-to-extending-selected-configuration-interaction-and-full-configuration-interaction-quantum-monte-carlo-1908.04158"/></url>
<url><loc>https://scifaro.com/en/abs/dopant-free-molecular-hole-transport-material-that-mediates-a-20-power-conversion-efficiency-in-a-perovskite-solar-cell-1908.04439</loc><lastmod>2019-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dopant-free-molecular-hole-transport-material-that-mediates-a-20-power-conversion-efficiency-in-a-perovskite-solar-cell-1908.04439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dopant-free-molecular-hole-transport-material-that-mediates-a-20-power-conversion-efficiency-in-a-perovskite-solar-cell-1908.04439"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-many-body-non-additive-polarization-energies-from-monomer-and-dimer-calculations-only-a-case-study-on-water-1908.04668</loc><lastmod>2019-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-many-body-non-additive-polarization-energies-from-monomer-and-dimer-calculations-only-a-case-study-on-water-1908.04668"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-many-body-non-additive-polarization-energies-from-monomer-and-dimer-calculations-only-a-case-study-on-water-1908.04668"/></url>
<url><loc>https://scifaro.com/en/abs/photoexcitation-of-pbs-nanosheets-leads-to-highly-mobile-charge-carriers-and-stable-excitons-1908.04711</loc><lastmod>2020-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoexcitation-of-pbs-nanosheets-leads-to-highly-mobile-charge-carriers-and-stable-excitons-1908.04711"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoexcitation-of-pbs-nanosheets-leads-to-highly-mobile-charge-carriers-and-stable-excitons-1908.04711"/></url>
<url><loc>https://scifaro.com/en/abs/phenomenological-arrhenius-analyses-in-plasmon-enhanced-catalysis-1908.05373</loc><lastmod>2020-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phenomenological-arrhenius-analyses-in-plasmon-enhanced-catalysis-1908.05373"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phenomenological-arrhenius-analyses-in-plasmon-enhanced-catalysis-1908.05373"/></url>
<url><loc>https://scifaro.com/en/abs/exact-quantum-dynamics-background-of-dispersion-interactions-case-study-for-ch-4-cdot-ar-in-full-12-dimensions-1908.05432</loc><lastmod>2020-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-quantum-dynamics-background-of-dispersion-interactions-case-study-for-ch-4-cdot-ar-in-full-12-dimensions-1908.05432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-quantum-dynamics-background-of-dispersion-interactions-case-study-for-ch-4-cdot-ar-in-full-12-dimensions-1908.05432"/></url>
<url><loc>https://scifaro.com/en/abs/natural-orbital-functional-for-multiplets-1908.05501</loc><lastmod>2019-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/natural-orbital-functional-for-multiplets-1908.05501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/natural-orbital-functional-for-multiplets-1908.05501"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-analysis-the-theory-of-density-corrected-dft-1908.05721</loc><lastmod>2019-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-analysis-the-theory-of-density-corrected-dft-1908.05721"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-analysis-the-theory-of-density-corrected-dft-1908.05721"/></url>
<url><loc>https://scifaro.com/en/abs/stimulated-x-ray-raman-and-absorption-spectroscopy-of-iron-sulfur-dimers-1908.05802</loc><lastmod>2019-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stimulated-x-ray-raman-and-absorption-spectroscopy-of-iron-sulfur-dimers-1908.05802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stimulated-x-ray-raman-and-absorption-spectroscopy-of-iron-sulfur-dimers-1908.05802"/></url>
<url><loc>https://scifaro.com/en/abs/an-sp-hybridized-molecular-carbon-allotrope-cyclo-18-carbon-1908.05904</loc><lastmod>2019-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-sp-hybridized-molecular-carbon-allotrope-cyclo-18-carbon-1908.05904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-sp-hybridized-molecular-carbon-allotrope-cyclo-18-carbon-1908.05904"/></url>
<url><loc>https://scifaro.com/en/abs/binding-of-muonated-hydrogen-molecules-on-the-occasionof-the-born-oppenheimer-approximation-90th-anniversary-1908.06175</loc><lastmod>2020-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binding-of-muonated-hydrogen-molecules-on-the-occasionof-the-born-oppenheimer-approximation-90th-anniversary-1908.06175"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binding-of-muonated-hydrogen-molecules-on-the-occasionof-the-born-oppenheimer-approximation-90th-anniversary-1908.06175"/></url>
<url><loc>https://scifaro.com/en/abs/reverse-chemistry-of-iron-in-the-deep-earth-1908.06569</loc><lastmod>2019-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reverse-chemistry-of-iron-in-the-deep-earth-1908.06569"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reverse-chemistry-of-iron-in-the-deep-earth-1908.06569"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-the-computational-cost-of-quantum-chemistry-1908.06714</loc><lastmod>2020-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-the-computational-cost-of-quantum-chemistry-1908.06714"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-the-computational-cost-of-quantum-chemistry-1908.06714"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-signature-of-chemical-bond-dissociation-revealed-by-calculated-core-electron-spectra-1908.06930</loc><lastmod>2019-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-signature-of-chemical-bond-dissociation-revealed-by-calculated-core-electron-spectra-1908.06930"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-signature-of-chemical-bond-dissociation-revealed-by-calculated-core-electron-spectra-1908.06930"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-the-coulson-fischer-point-characterizing-single-excitation-ci-and-tddft-for-excited-states-in-single-bond-dissociations-1908.07081</loc><lastmod>2019-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-the-coulson-fischer-point-characterizing-single-excitation-ci-and-tddft-for-excited-states-in-single-bond-dissociations-1908.07081"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-the-coulson-fischer-point-characterizing-single-excitation-ci-and-tddft-for-excited-states-in-single-bond-dissociations-1908.07081"/></url>
<url><loc>https://scifaro.com/en/abs/getting-the-right-twist-influence-of-donor-acceptor-dihedral-angle-on-exciton-kinetics-and-singlet-triplet-gap-in-deep-blue-thermally-activated-delayed-fluorescence-emitter-1908.07303</loc><lastmod>2020-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/getting-the-right-twist-influence-of-donor-acceptor-dihedral-angle-on-exciton-kinetics-and-singlet-triplet-gap-in-deep-blue-thermally-activated-delayed-fluorescence-emitter-1908.07303"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/getting-the-right-twist-influence-of-donor-acceptor-dihedral-angle-on-exciton-kinetics-and-singlet-triplet-gap-in-deep-blue-thermally-activated-delayed-fluorescence-emitter-1908.07303"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-configuration-interaction-for-ab-initio-potential-energy-curves-1908.07430</loc><lastmod>2019-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-configuration-interaction-for-ab-initio-potential-energy-curves-1908.07430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-configuration-interaction-for-ab-initio-potential-energy-curves-1908.07430"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-rate-equation-hydrodynamic-simulation-of-a-rydberg-gas-gaussian-ellipsoid-classical-avalanche-and-evolution-to-molecular-plasma-1908.07638</loc><lastmod>2019-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-rate-equation-hydrodynamic-simulation-of-a-rydberg-gas-gaussian-ellipsoid-classical-avalanche-and-evolution-to-molecular-plasma-1908.07638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-rate-equation-hydrodynamic-simulation-of-a-rydberg-gas-gaussian-ellipsoid-classical-avalanche-and-evolution-to-molecular-plasma-1908.07638"/></url>
<url><loc>https://scifaro.com/en/abs/impression-prediction-of-nmr-parameters-for-3-dimensional-chemical-structures-using-machine-learning-with-near-quantum-chemical-accuracy-1908.08501</loc><lastmod>2019-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impression-prediction-of-nmr-parameters-for-3-dimensional-chemical-structures-using-machine-learning-with-near-quantum-chemical-accuracy-1908.08501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impression-prediction-of-nmr-parameters-for-3-dimensional-chemical-structures-using-machine-learning-with-near-quantum-chemical-accuracy-1908.08501"/></url>
<url><loc>https://scifaro.com/en/abs/speeding-up-ab-initio-molecular-dynamics-with-hybrid-functionals-using-adaptively-compressed-exchange-operator-based-multiple-timestepping-1908.08510</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speeding-up-ab-initio-molecular-dynamics-with-hybrid-functionals-using-adaptively-compressed-exchange-operator-based-multiple-timestepping-1908.08510"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speeding-up-ab-initio-molecular-dynamics-with-hybrid-functionals-using-adaptively-compressed-exchange-operator-based-multiple-timestepping-1908.08510"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-dispersion-corrections-efficiently-improve-multi-configurational-theory-with-short-range-density-functional-dynamic-correlation-1908.08604</loc><lastmod>2020-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-dispersion-corrections-efficiently-improve-multi-configurational-theory-with-short-range-density-functional-dynamic-correlation-1908.08604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-dispersion-corrections-efficiently-improve-multi-configurational-theory-with-short-range-density-functional-dynamic-correlation-1908.08604"/></url>
<url><loc>https://scifaro.com/en/abs/integration-of-liquid-thermoelectrochemical-conversion-into-forced-convection-cooling-1908.08646</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/integration-of-liquid-thermoelectrochemical-conversion-into-forced-convection-cooling-1908.08646"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/integration-of-liquid-thermoelectrochemical-conversion-into-forced-convection-cooling-1908.08646"/></url>
<url><loc>https://scifaro.com/en/abs/visually-constructing-the-chemical-structure-of-a-single-molecule-by-scanning-raman-picoscopy-1908.08720</loc><lastmod>2020-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visually-constructing-the-chemical-structure-of-a-single-molecule-by-scanning-raman-picoscopy-1908.08720"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visually-constructing-the-chemical-structure-of-a-single-molecule-by-scanning-raman-picoscopy-1908.08720"/></url>
<url><loc>https://scifaro.com/en/abs/automated-fitting-of-neural-network-potentials-at-coupled-cluster-accuracy-protonated-water-clusters-as-testing-ground-1908.08734</loc><lastmod>2019-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-fitting-of-neural-network-potentials-at-coupled-cluster-accuracy-protonated-water-clusters-as-testing-ground-1908.08734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-fitting-of-neural-network-potentials-at-coupled-cluster-accuracy-protonated-water-clusters-as-testing-ground-1908.08734"/></url>
<url><loc>https://scifaro.com/en/abs/studies-of-bi-layers-growth-mechanism-of-silver-bromide-molecular-clusters-prepared-via-electroporation-of-vesicles-and-quantum-confinement-effects-applications-of-molecular-clusters-1908.08969</loc><lastmod>2019-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/studies-of-bi-layers-growth-mechanism-of-silver-bromide-molecular-clusters-prepared-via-electroporation-of-vesicles-and-quantum-confinement-effects-applications-of-molecular-clusters-1908.08969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/studies-of-bi-layers-growth-mechanism-of-silver-bromide-molecular-clusters-prepared-via-electroporation-of-vesicles-and-quantum-confinement-effects-applications-of-molecular-clusters-1908.08969"/></url>
<url><loc>https://scifaro.com/en/abs/how-to-improve-functionals-in-density-functional-theory-formalism-and-benchmark-calculation-1908.09063</loc><lastmod>2020-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-to-improve-functionals-in-density-functional-theory-formalism-and-benchmark-calculation-1908.09063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-to-improve-functionals-in-density-functional-theory-formalism-and-benchmark-calculation-1908.09063"/></url>
<url><loc>https://scifaro.com/en/abs/taking-the-heat-off-of-plasmonic-chemistry-1908.09415</loc><lastmod>2019-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/taking-the-heat-off-of-plasmonic-chemistry-1908.09415"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/taking-the-heat-off-of-plasmonic-chemistry-1908.09415"/></url>
<url><loc>https://scifaro.com/en/abs/intrinsic-ph-of-water-vapor-interface-revealed-by-ion-induced-water-alignment-1908.09433</loc><lastmod>2019-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrinsic-ph-of-water-vapor-interface-revealed-by-ion-induced-water-alignment-1908.09433"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrinsic-ph-of-water-vapor-interface-revealed-by-ion-induced-water-alignment-1908.09433"/></url>
<url><loc>https://scifaro.com/en/abs/observing-collisions-beyond-the-secular-approximation-limit-1908.09531</loc><lastmod>2019-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observing-collisions-beyond-the-secular-approximation-limit-1908.09531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observing-collisions-beyond-the-secular-approximation-limit-1908.09531"/></url>
<url><loc>https://scifaro.com/en/abs/capturing-static-and-dynamic-correlation-with-delta-text-no-mp2-and-delta-text-no-ccsd-1908.09914</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/capturing-static-and-dynamic-correlation-with-delta-text-no-mp2-and-delta-text-no-ccsd-1908.09914"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/capturing-static-and-dynamic-correlation-with-delta-text-no-mp2-and-delta-text-no-ccsd-1908.09914"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dissipative-systems-beyond-the-standard-harmonic-model-features-of-linear-absorption-and-dynamics-1908.10130</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dissipative-systems-beyond-the-standard-harmonic-model-features-of-linear-absorption-and-dynamics-1908.10130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dissipative-systems-beyond-the-standard-harmonic-model-features-of-linear-absorption-and-dynamics-1908.10130"/></url>
<url><loc>https://scifaro.com/en/abs/the-relationship-between-the-redox-activity-and-electrochemical-stability-of-solid-electrolytes-for-solid-state-batteries-1908.10144</loc><lastmod>2020-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-relationship-between-the-redox-activity-and-electrochemical-stability-of-solid-electrolytes-for-solid-state-batteries-1908.10144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-relationship-between-the-redox-activity-and-electrochemical-stability-of-solid-electrolytes-for-solid-state-batteries-1908.10144"/></url>
<url><loc>https://scifaro.com/en/abs/self-parametrizing-system-focused-atomistic-models-1908.10492</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-parametrizing-system-focused-atomistic-models-1908.10492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-parametrizing-system-focused-atomistic-models-1908.10492"/></url>
<url><loc>https://scifaro.com/en/abs/reducing-uncertainty-in-simulation-estimates-of-the-surface-tension-through-a-two-scale-finite-size-analysis-thicker-is-better-1908.10533</loc><lastmod>2019-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reducing-uncertainty-in-simulation-estimates-of-the-surface-tension-through-a-two-scale-finite-size-analysis-thicker-is-better-1908.10533"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reducing-uncertainty-in-simulation-estimates-of-the-surface-tension-through-a-two-scale-finite-size-analysis-thicker-is-better-1908.10533"/></url>
<url><loc>https://scifaro.com/en/abs/self-limited-growth-of-an-oxyhydroxide-phase-at-the-fe3o4-001-surface-in-liquid-and-ambient-pressure-water-1908.10619</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-limited-growth-of-an-oxyhydroxide-phase-at-the-fe3o4-001-surface-in-liquid-and-ambient-pressure-water-1908.10619"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-limited-growth-of-an-oxyhydroxide-phase-at-the-fe3o4-001-surface-in-liquid-and-ambient-pressure-water-1908.10619"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-graph-model-for-rovibrational-states-of-protonated-methane-1908.10664</loc><lastmod>2019-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-graph-model-for-rovibrational-states-of-protonated-methane-1908.10664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-graph-model-for-rovibrational-states-of-protonated-methane-1908.10664"/></url>
<url><loc>https://scifaro.com/en/abs/pressure-correction-for-solvation-theories-1908.10720</loc><lastmod>2020-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pressure-correction-for-solvation-theories-1908.10720"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pressure-correction-for-solvation-theories-1908.10720"/></url>
<url><loc>https://scifaro.com/en/abs/selective-hydrogen-production-at-platinum-surfaces-investigated-by-the-quantum-monte-carlo-approach-to-chemical-reactions-1908.10782</loc><lastmod>2019-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selective-hydrogen-production-at-platinum-surfaces-investigated-by-the-quantum-monte-carlo-approach-to-chemical-reactions-1908.10782"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selective-hydrogen-production-at-platinum-surfaces-investigated-by-the-quantum-monte-carlo-approach-to-chemical-reactions-1908.10782"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-outcomes-of-catalytic-reactions-using-machine-learning-1908.10953</loc><lastmod>2019-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-outcomes-of-catalytic-reactions-using-machine-learning-1908.10953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-outcomes-of-catalytic-reactions-using-machine-learning-1908.10953"/></url>
<url><loc>https://scifaro.com/en/abs/velocity-map-imaging-of-inelastic-and-elastic-low-energy-electron-scattering-in-organic-nanoparticles-1908.10981</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/velocity-map-imaging-of-inelastic-and-elastic-low-energy-electron-scattering-in-organic-nanoparticles-1908.10981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/velocity-map-imaging-of-inelastic-and-elastic-low-energy-electron-scattering-in-organic-nanoparticles-1908.10981"/></url>
<url><loc>https://scifaro.com/en/abs/interplay-of-water-and-a-supramolecular-capsule-for-catalysis-of-reductive-elimination-reaction-from-gold-1908.10991</loc><lastmod>2019-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interplay-of-water-and-a-supramolecular-capsule-for-catalysis-of-reductive-elimination-reaction-from-gold-1908.10991"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interplay-of-water-and-a-supramolecular-capsule-for-catalysis-of-reductive-elimination-reaction-from-gold-1908.10991"/></url>
<url><loc>https://scifaro.com/en/abs/from-chemical-soup-to-computing-circuit-transforming-a-contiguous-chemical-medium-into-a-logic-gate-network-by-modulating-its-external-conditions-1908.11510</loc><lastmod>2019-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-chemical-soup-to-computing-circuit-transforming-a-contiguous-chemical-medium-into-a-logic-gate-network-by-modulating-its-external-conditions-1908.11510"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-chemical-soup-to-computing-circuit-transforming-a-contiguous-chemical-medium-into-a-logic-gate-network-by-modulating-its-external-conditions-1908.11510"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-nature-of-the-hydrogen-bond-from-ambient-conditions-down-to-ultra-low-temperatures-1908.11589</loc><lastmod>2019-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-nature-of-the-hydrogen-bond-from-ambient-conditions-down-to-ultra-low-temperatures-1908.11589"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-nature-of-the-hydrogen-bond-from-ambient-conditions-down-to-ultra-low-temperatures-1908.11589"/></url>
<url><loc>https://scifaro.com/en/abs/anomalous-protein-kinetics-on-low-fouling-surfaces-1909.00054</loc><lastmod>2020-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anomalous-protein-kinetics-on-low-fouling-surfaces-1909.00054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anomalous-protein-kinetics-on-low-fouling-surfaces-1909.00054"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-and-efficient-dft-based-diabatization-for-hole-and-electron-transfer-using-absolutely-localized-molecular-orbitals-1909.00093</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-and-efficient-dft-based-diabatization-for-hole-and-electron-transfer-using-absolutely-localized-molecular-orbitals-1909.00093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-and-efficient-dft-based-diabatization-for-hole-and-electron-transfer-using-absolutely-localized-molecular-orbitals-1909.00093"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-many-body-perturbation-theory-for-electron-correlation-energies-1909.00307</loc><lastmod>2020-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-many-body-perturbation-theory-for-electron-correlation-energies-1909.00307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-many-body-perturbation-theory-for-electron-correlation-energies-1909.00307"/></url>
<url><loc>https://scifaro.com/en/abs/a-bayesian-approach-to-nmr-crystal-structure-determination-1909.00870</loc><lastmod>2019-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-bayesian-approach-to-nmr-crystal-structure-determination-1909.00870"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-bayesian-approach-to-nmr-crystal-structure-determination-1909.00870"/></url>
<url><loc>https://scifaro.com/en/abs/insights-into-hydration-dynamics-and-cooperative-interactions-in-glycerol-water-mixtures-by-terahertz-dielectric-spectroscopy-1909.00872</loc><lastmod>2019-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/insights-into-hydration-dynamics-and-cooperative-interactions-in-glycerol-water-mixtures-by-terahertz-dielectric-spectroscopy-1909.00872"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/insights-into-hydration-dynamics-and-cooperative-interactions-in-glycerol-water-mixtures-by-terahertz-dielectric-spectroscopy-1909.00872"/></url>
<url><loc>https://scifaro.com/en/abs/microwave-heating-and-collapse-of-methane-hydrate-by-molecular-dynamics-simulations-1909.01024</loc><lastmod>2023-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microwave-heating-and-collapse-of-methane-hydrate-by-molecular-dynamics-simulations-1909.01024"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microwave-heating-and-collapse-of-methane-hydrate-by-molecular-dynamics-simulations-1909.01024"/></url>
<url><loc>https://scifaro.com/en/abs/suppression-of-penning-ionization-by-orbital-angular-momentum-conservation-1909.01694</loc><lastmod>2020-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/suppression-of-penning-ionization-by-orbital-angular-momentum-conservation-1909.01694"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/suppression-of-penning-ionization-by-orbital-angular-momentum-conservation-1909.01694"/></url>
<url><loc>https://scifaro.com/en/abs/fchl-revisited-faster-and-more-accurate-quantum-machine-learning-1909.01946</loc><lastmod>2020-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fchl-revisited-faster-and-more-accurate-quantum-machine-learning-1909.01946"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fchl-revisited-faster-and-more-accurate-quantum-machine-learning-1909.01946"/></url>
<url><loc>https://scifaro.com/en/abs/dissociation-energy-of-molecular-hydrogen-isotopologues-1909.01985</loc><lastmod>2019-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociation-energy-of-molecular-hydrogen-isotopologues-1909.01985"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociation-energy-of-molecular-hydrogen-isotopologues-1909.01985"/></url>
<url><loc>https://scifaro.com/en/abs/regression-clustering-for-improved-accuracy-and-training-cost-with-molecular-orbital-based-machine-learning-1909.02041</loc><lastmod>2023-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/regression-clustering-for-improved-accuracy-and-training-cost-with-molecular-orbital-based-machine-learning-1909.02041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/regression-clustering-for-improved-accuracy-and-training-cost-with-molecular-orbital-based-machine-learning-1909.02041"/></url>
<url><loc>https://scifaro.com/en/abs/making-many-body-interactions-nearly-pairwise-additive-the-polarized-many-body-expansion-approach-1909.02110</loc><lastmod>2019-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/making-many-body-interactions-nearly-pairwise-additive-the-polarized-many-body-expansion-approach-1909.02110"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/making-many-body-interactions-nearly-pairwise-additive-the-polarized-many-body-expansion-approach-1909.02110"/></url>
<url><loc>https://scifaro.com/en/abs/polaritonic-coupled-cluster-theory-1909.02401</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polaritonic-coupled-cluster-theory-1909.02401"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polaritonic-coupled-cluster-theory-1909.02401"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-solution-of-the-many-electron-schr-odinger-equation-with-deep-neural-networks-1909.02487</loc><lastmod>2021-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-solution-of-the-many-electron-schr-odinger-equation-with-deep-neural-networks-1909.02487"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-solution-of-the-many-electron-schr-odinger-equation-with-deep-neural-networks-1909.02487"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-equilibrium-isotope-effect-calculations-ii-stochastic-implementation-of-direct-estimators-1909.02910</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-equilibrium-isotope-effect-calculations-ii-stochastic-implementation-of-direct-estimators-1909.02910"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-equilibrium-isotope-effect-calculations-ii-stochastic-implementation-of-direct-estimators-1909.02910"/></url>
<url><loc>https://scifaro.com/en/abs/a-simplified-approach-to-simulating-raman-spectra-from-ab-initio-molecular-dynamics-1909.03142</loc><lastmod>2019-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simplified-approach-to-simulating-raman-spectra-from-ab-initio-molecular-dynamics-1909.03142"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simplified-approach-to-simulating-raman-spectra-from-ab-initio-molecular-dynamics-1909.03142"/></url>
<url><loc>https://scifaro.com/en/abs/synergistic-effect-of-one-and-two-dimensional-connected-coral-like-li-6-25-al-0-25-la-3-zr-2-o-12-in-peo-based-composite-solid-state-electrolyte-1909.03250</loc><lastmod>2019-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synergistic-effect-of-one-and-two-dimensional-connected-coral-like-li-6-25-al-0-25-la-3-zr-2-o-12-in-peo-based-composite-solid-state-electrolyte-1909.03250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synergistic-effect-of-one-and-two-dimensional-connected-coral-like-li-6-25-al-0-25-la-3-zr-2-o-12-in-peo-based-composite-solid-state-electrolyte-1909.03250"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-biomolecular-simulations-account-for-electronic-polarization-1909.03732</loc><lastmod>2021-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-biomolecular-simulations-account-for-electronic-polarization-1909.03732"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-biomolecular-simulations-account-for-electronic-polarization-1909.03732"/></url>
<url><loc>https://scifaro.com/en/abs/bayesian-design-of-experiments-implementation-validation-and-application-to-chemical-kinetics-1909.03861</loc><lastmod>2019-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bayesian-design-of-experiments-implementation-validation-and-application-to-chemical-kinetics-1909.03861"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bayesian-design-of-experiments-implementation-validation-and-application-to-chemical-kinetics-1909.03861"/></url>
<url><loc>https://scifaro.com/en/abs/step-edge-mediated-assembly-of-periodic-arrays-of-long-graphene-nanoribbons-on-au-111-1909.03876</loc><lastmod>2019-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/step-edge-mediated-assembly-of-periodic-arrays-of-long-graphene-nanoribbons-on-au-111-1909.03876"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/step-edge-mediated-assembly-of-periodic-arrays-of-long-graphene-nanoribbons-on-au-111-1909.03876"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-in-multiple-self-consistent-field-solutions-of-transition-metal-complexes-1909.03915</loc><lastmod>2019-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-in-multiple-self-consistent-field-solutions-of-transition-metal-complexes-1909.03915"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-in-multiple-self-consistent-field-solutions-of-transition-metal-complexes-1909.03915"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-solvation-force-extrapolation-for-speeding-up-molecular-dynamics-simulations-of-complex-biochemical-liquids-1909.04413</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-solvation-force-extrapolation-for-speeding-up-molecular-dynamics-simulations-of-complex-biochemical-liquids-1909.04413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-solvation-force-extrapolation-for-speeding-up-molecular-dynamics-simulations-of-complex-biochemical-liquids-1909.04413"/></url>
<url><loc>https://scifaro.com/en/abs/incorporating-long-range-physics-in-atomic-scale-machine-learning-1909.04512</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/incorporating-long-range-physics-in-atomic-scale-machine-learning-1909.04512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/incorporating-long-range-physics-in-atomic-scale-machine-learning-1909.04512"/></url>
<url><loc>https://scifaro.com/en/abs/estimating-configurational-entropy-and-energy-of-molecular-systems-from-computed-spectral-density-1909.04726</loc><lastmod>2019-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/estimating-configurational-entropy-and-energy-of-molecular-systems-from-computed-spectral-density-1909.04726"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/estimating-configurational-entropy-and-energy-of-molecular-systems-from-computed-spectral-density-1909.04726"/></url>
<url><loc>https://scifaro.com/en/abs/implications-of-the-unitary-invariance-and-symmetry-restrictions-on-the-development-of-proper-approximate-one-body-reduced-density-matrix-functionals-1909.04927</loc><lastmod>2020-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/implications-of-the-unitary-invariance-and-symmetry-restrictions-on-the-development-of-proper-approximate-one-body-reduced-density-matrix-functionals-1909.04927"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/implications-of-the-unitary-invariance-and-symmetry-restrictions-on-the-development-of-proper-approximate-one-body-reduced-density-matrix-functionals-1909.04927"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-sunlight-harvesting-1909.05029</loc><lastmod>2020-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-sunlight-harvesting-1909.05029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-sunlight-harvesting-1909.05029"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-many-electron-wavefunctions-using-atomic-potentials-extended-basis-sets-and-molecular-dissociation-1909.05935</loc><lastmod>2022-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-many-electron-wavefunctions-using-atomic-potentials-extended-basis-sets-and-molecular-dissociation-1909.05935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-many-electron-wavefunctions-using-atomic-potentials-extended-basis-sets-and-molecular-dissociation-1909.05935"/></url>
<url><loc>https://scifaro.com/en/abs/process-intensification-for-the-production-of-the-ethyl-esters-of-volatile-fatty-acids-using-aluminium-chloride-hexahydrate-as-a-catalyst-1909.06141</loc><lastmod>2020-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/process-intensification-for-the-production-of-the-ethyl-esters-of-volatile-fatty-acids-using-aluminium-chloride-hexahydrate-as-a-catalyst-1909.06141"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/process-intensification-for-the-production-of-the-ethyl-esters-of-volatile-fatty-acids-using-aluminium-chloride-hexahydrate-as-a-catalyst-1909.06141"/></url>
<url><loc>https://scifaro.com/en/abs/ring-polymer-molecular-dynamics-and-active-learning-of-moment-tensor-potential-for-gas-phase-barrierless-reactions-application-to-s-h2-1909.06244</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ring-polymer-molecular-dynamics-and-active-learning-of-moment-tensor-potential-for-gas-phase-barrierless-reactions-application-to-s-h2-1909.06244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ring-polymer-molecular-dynamics-and-active-learning-of-moment-tensor-potential-for-gas-phase-barrierless-reactions-application-to-s-h2-1909.06244"/></url>
<url><loc>https://scifaro.com/en/abs/low-energy-electron-escape-from-liquid-interfaces-charge-and-quantum-effects-1909.06318</loc><lastmod>2020-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-energy-electron-escape-from-liquid-interfaces-charge-and-quantum-effects-1909.06318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-energy-electron-escape-from-liquid-interfaces-charge-and-quantum-effects-1909.06318"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-evaluation-of-agp-reduced-density-matrices-1909.06345</loc><lastmod>2020-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-evaluation-of-agp-reduced-density-matrices-1909.06345"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-evaluation-of-agp-reduced-density-matrices-1909.06345"/></url>
<url><loc>https://scifaro.com/en/abs/scalable-approximation-of-green-s-function-for-estimation-of-anharmonic-energy-corrections-1909.06456</loc><lastmod>2019-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scalable-approximation-of-green-s-function-for-estimation-of-anharmonic-energy-corrections-1909.06456"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scalable-approximation-of-green-s-function-for-estimation-of-anharmonic-energy-corrections-1909.06456"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-resolution-of-identity-for-real-time-second-order-green-s-function-ionization-potential-and-quasi-particle-spectrum-1909.06525</loc><lastmod>2019-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-resolution-of-identity-for-real-time-second-order-green-s-function-ionization-potential-and-quasi-particle-spectrum-1909.06525"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-resolution-of-identity-for-real-time-second-order-green-s-function-ionization-potential-and-quasi-particle-spectrum-1909.06525"/></url>
<url><loc>https://scifaro.com/en/abs/systematic-microsolvation-approach-with-a-cluster-continuum-scheme-and-conformational-sampling-1909.06664</loc><lastmod>2020-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematic-microsolvation-approach-with-a-cluster-continuum-scheme-and-conformational-sampling-1909.06664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematic-microsolvation-approach-with-a-cluster-continuum-scheme-and-conformational-sampling-1909.06664"/></url>
<url><loc>https://scifaro.com/en/abs/how-to-learn-from-inconsistencies-integrating-molecular-simulations-with-experimental-data-1909.06780</loc><lastmod>2019-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-to-learn-from-inconsistencies-integrating-molecular-simulations-with-experimental-data-1909.06780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-to-learn-from-inconsistencies-integrating-molecular-simulations-with-experimental-data-1909.06780"/></url>
<url><loc>https://scifaro.com/en/abs/multireference-configuration-interaction-and-perturbation-theory-without-reduced-density-matrices-1909.06935</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multireference-configuration-interaction-and-perturbation-theory-without-reduced-density-matrices-1909.06935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multireference-configuration-interaction-and-perturbation-theory-without-reduced-density-matrices-1909.06935"/></url>
<url><loc>https://scifaro.com/en/abs/rpa-natural-orbitals-and-their-application-to-post-hartree-fock-electronic-structure-methods-1909.07089</loc><lastmod>2021-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rpa-natural-orbitals-and-their-application-to-post-hartree-fock-electronic-structure-methods-1909.07089"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rpa-natural-orbitals-and-their-application-to-post-hartree-fock-electronic-structure-methods-1909.07089"/></url>
<url><loc>https://scifaro.com/en/abs/derivation-of-a-local-volume-averaged-model-and-a-stable-numerical-algorithm-for-multi-dimensional-simulations-of-conversion-batteries-1909.07305</loc><lastmod>2020-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/derivation-of-a-local-volume-averaged-model-and-a-stable-numerical-algorithm-for-multi-dimensional-simulations-of-conversion-batteries-1909.07305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/derivation-of-a-local-volume-averaged-model-and-a-stable-numerical-algorithm-for-multi-dimensional-simulations-of-conversion-batteries-1909.07305"/></url>
<url><loc>https://scifaro.com/en/abs/tannin-controlled-micelles-and-fibrils-of-kappa-casein-1909.07414</loc><lastmod>2020-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tannin-controlled-micelles-and-fibrils-of-kappa-casein-1909.07414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tannin-controlled-micelles-and-fibrils-of-kappa-casein-1909.07414"/></url>
<url><loc>https://scifaro.com/en/abs/attosecond-transient-absorption-spooktroscopy-a-ghost-imaging-approach-to-ultrafast-absorption-spectroscopy-1909.07441</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attosecond-transient-absorption-spooktroscopy-a-ghost-imaging-approach-to-ultrafast-absorption-spectroscopy-1909.07441"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attosecond-transient-absorption-spooktroscopy-a-ghost-imaging-approach-to-ultrafast-absorption-spectroscopy-1909.07441"/></url>
<url><loc>https://scifaro.com/en/abs/gaussian-mixture-based-enhanced-sampling-1909.07773</loc><lastmod>2020-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-mixture-based-enhanced-sampling-1909.07773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-mixture-based-enhanced-sampling-1909.07773"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-adaptive-configuration-interaction-applied-to-attosecond-charge-migration-1909.07810</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-adaptive-configuration-interaction-applied-to-attosecond-charge-migration-1909.07810"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-adaptive-configuration-interaction-applied-to-attosecond-charge-migration-1909.07810"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-description-of-the-ionization-processes-with-a-discrete-basis-set-representation-of-the-electronic-continuum-1909.07833</loc><lastmod>2019-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-description-of-the-ionization-processes-with-a-discrete-basis-set-representation-of-the-electronic-continuum-1909.07833"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-description-of-the-ionization-processes-with-a-discrete-basis-set-representation-of-the-electronic-continuum-1909.07833"/></url>
<url><loc>https://scifaro.com/en/abs/on-temperature-discontinuity-at-an-evaporating-water-interface-1909.08013</loc><lastmod>2019-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-temperature-discontinuity-at-an-evaporating-water-interface-1909.08013"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-temperature-discontinuity-at-an-evaporating-water-interface-1909.08013"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-potential-energy-surfaces-1909.08027</loc><lastmod>2019-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-potential-energy-surfaces-1909.08027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-potential-energy-surfaces-1909.08027"/></url>
<url><loc>https://scifaro.com/en/abs/construction-of-machine-learned-force-fields-with-quantum-chemical-accuracy-applications-and-chemical-insights-1909.08565</loc><lastmod>2021-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/construction-of-machine-learned-force-fields-with-quantum-chemical-accuracy-applications-and-chemical-insights-1909.08565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/construction-of-machine-learned-force-fields-with-quantum-chemical-accuracy-applications-and-chemical-insights-1909.08565"/></url>
<url><loc>https://scifaro.com/en/abs/hierarchical-quantum-master-equation-approach-to-vibronic-reaction-dynamics-at-metal-surfaces-1909.08923</loc><lastmod>2019-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hierarchical-quantum-master-equation-approach-to-vibronic-reaction-dynamics-at-metal-surfaces-1909.08923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hierarchical-quantum-master-equation-approach-to-vibronic-reaction-dynamics-at-metal-surfaces-1909.08923"/></url>
<url><loc>https://scifaro.com/en/abs/metadynamics-for-automatic-sampling-of-quantum-property-manifolds-exploration-of-molecular-biradicality-landscapes-1909.09005</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/metadynamics-for-automatic-sampling-of-quantum-property-manifolds-exploration-of-molecular-biradicality-landscapes-1909.09005"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/metadynamics-for-automatic-sampling-of-quantum-property-manifolds-exploration-of-molecular-biradicality-landscapes-1909.09005"/></url>
<url><loc>https://scifaro.com/en/abs/a-general-topological-network-criterion-for-exploring-the-structure-of-icy-nanoribbons-and-monolayers-1909.09827</loc><lastmod>2020-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-general-topological-network-criterion-for-exploring-the-structure-of-icy-nanoribbons-and-monolayers-1909.09827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-general-topological-network-criterion-for-exploring-the-structure-of-icy-nanoribbons-and-monolayers-1909.09827"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-calculation-of-quantum-mechanical-electron-transfer-rates-1909.09882</loc><lastmod>2019-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-calculation-of-quantum-mechanical-electron-transfer-rates-1909.09882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-calculation-of-quantum-mechanical-electron-transfer-rates-1909.09882"/></url>
<url><loc>https://scifaro.com/en/abs/excited-states-via-coupled-cluster-theory-without-equation-of-motion-methods-seeking-higher-roots-with-application-to-doubly-excited-states-and-double-core-hole-states-1909.10096</loc><lastmod>2019-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-states-via-coupled-cluster-theory-without-equation-of-motion-methods-seeking-higher-roots-with-application-to-doubly-excited-states-and-double-core-hole-states-1909.10096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-states-via-coupled-cluster-theory-without-equation-of-motion-methods-seeking-higher-roots-with-application-to-doubly-excited-states-and-double-core-hole-states-1909.10096"/></url>
<url><loc>https://scifaro.com/en/abs/benchmarking-the-accuracy-of-seniority-zero-wavefunction-methods-for-non-covalent-interactions-1909.10349</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-the-accuracy-of-seniority-zero-wavefunction-methods-for-non-covalent-interactions-1909.10349"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-the-accuracy-of-seniority-zero-wavefunction-methods-for-non-covalent-interactions-1909.10349"/></url>
<url><loc>https://scifaro.com/en/abs/o2-ion-mobility-in-dense-ne-gas-the-free-volume-model-1909.10401</loc><lastmod>2019-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/o2-ion-mobility-in-dense-ne-gas-the-free-volume-model-1909.10401"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/o2-ion-mobility-in-dense-ne-gas-the-free-volume-model-1909.10401"/></url>
<url><loc>https://scifaro.com/en/abs/all-optical-measurement-of-high-order-fractional-molecular-echoes-by-high-order-harmonic-generation-1909.10514</loc><lastmod>2019-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/all-optical-measurement-of-high-order-fractional-molecular-echoes-by-high-order-harmonic-generation-1909.10514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/all-optical-measurement-of-high-order-fractional-molecular-echoes-by-high-order-harmonic-generation-1909.10514"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-study-of-the-infrared-spectrum-in-liquid-water-from-a-systematically-improved-description-of-h-bond-network-1909.10632</loc><lastmod>2019-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-study-of-the-infrared-spectrum-in-liquid-water-from-a-systematically-improved-description-of-h-bond-network-1909.10632"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-study-of-the-infrared-spectrum-in-liquid-water-from-a-systematically-improved-description-of-h-bond-network-1909.10632"/></url>
<url><loc>https://scifaro.com/en/abs/probing-molecular-chirality-via-laser-induced-electronic-fluxes-1909.10740</loc><lastmod>2021-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-molecular-chirality-via-laser-induced-electronic-fluxes-1909.10740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-molecular-chirality-via-laser-induced-electronic-fluxes-1909.10740"/></url>
<url><loc>https://scifaro.com/en/abs/from-absorption-spectra-to-charge-transfer-in-pedot-nanoaggregates-with-machine-learning-1909.10768</loc><lastmod>2019-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-absorption-spectra-to-charge-transfer-in-pedot-nanoaggregates-with-machine-learning-1909.10768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-absorption-spectra-to-charge-transfer-in-pedot-nanoaggregates-with-machine-learning-1909.10768"/></url>
<url><loc>https://scifaro.com/en/abs/near-dissociation-states-for-h-2-he-on-mrci-and-fci-potential-energy-surfaces-1909.10984</loc><lastmod>2020-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-dissociation-states-for-h-2-he-on-mrci-and-fci-potential-energy-surfaces-1909.10984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-dissociation-states-for-h-2-he-on-mrci-and-fci-potential-energy-surfaces-1909.10984"/></url>
<url><loc>https://scifaro.com/en/abs/a-robust-and-unified-solution-for-choosing-the-phases-of-adiabatic-states-as-a-function-of-geometry-extending-parallel-transport-concepts-to-the-cases-of-trivial-near-trivial-crossings-1909.11157</loc><lastmod>2019-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-robust-and-unified-solution-for-choosing-the-phases-of-adiabatic-states-as-a-function-of-geometry-extending-parallel-transport-concepts-to-the-cases-of-trivial-near-trivial-crossings-1909.11157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-robust-and-unified-solution-for-choosing-the-phases-of-adiabatic-states-as-a-function-of-geometry-extending-parallel-transport-concepts-to-the-cases-of-trivial-near-trivial-crossings-1909.11157"/></url>
<url><loc>https://scifaro.com/en/abs/designing-aqueous-organic-electrolytes-for-zinc-air-batteries-method-simulation-and-validation-1909.11461</loc><lastmod>2020-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/designing-aqueous-organic-electrolytes-for-zinc-air-batteries-method-simulation-and-validation-1909.11461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/designing-aqueous-organic-electrolytes-for-zinc-air-batteries-method-simulation-and-validation-1909.11461"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-dynamics-in-a-laser-field-with-floquet-fewest-switches-surface-hopping-the-need-for-an-accurate-treatment-of-coherence-and-decoherence-remains-1909.11695</loc><lastmod>2019-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-dynamics-in-a-laser-field-with-floquet-fewest-switches-surface-hopping-the-need-for-an-accurate-treatment-of-coherence-and-decoherence-remains-1909.11695"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-dynamics-in-a-laser-field-with-floquet-fewest-switches-surface-hopping-the-need-for-an-accurate-treatment-of-coherence-and-decoherence-remains-1909.11695"/></url>
<url><loc>https://scifaro.com/en/abs/pd-pt-embedded-cn-monolayer-as-efficient-catalysts-for-co-oxidation-1909.11922</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pd-pt-embedded-cn-monolayer-as-efficient-catalysts-for-co-oxidation-1909.11922"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pd-pt-embedded-cn-monolayer-as-efficient-catalysts-for-co-oxidation-1909.11922"/></url>
<url><loc>https://scifaro.com/en/abs/chaotic-evolution-of-the-energy-of-the-electron-orbital-and-the-hopping-integral-in-diatomic-molecule-cations-subjected-to-harmonic-excitation-1909.12048</loc><lastmod>2020-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chaotic-evolution-of-the-energy-of-the-electron-orbital-and-the-hopping-integral-in-diatomic-molecule-cations-subjected-to-harmonic-excitation-1909.12048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chaotic-evolution-of-the-energy-of-the-electron-orbital-and-the-hopping-integral-in-diatomic-molecule-cations-subjected-to-harmonic-excitation-1909.12048"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-many-body-electronic-structure-near-the-basis-set-limit-application-to-the-chromium-dimer-1909.12319</loc><lastmod>2020-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-many-body-electronic-structure-near-the-basis-set-limit-application-to-the-chromium-dimer-1909.12319"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-many-body-electronic-structure-near-the-basis-set-limit-application-to-the-chromium-dimer-1909.12319"/></url>
<url><loc>https://scifaro.com/en/abs/a-jastrow-type-decomposition-in-quantum-chemistry-for-low-depth-quantum-circuits-1909.12410</loc><lastmod>2020-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-jastrow-type-decomposition-in-quantum-chemistry-for-low-depth-quantum-circuits-1909.12410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-jastrow-type-decomposition-in-quantum-chemistry-for-low-depth-quantum-circuits-1909.12410"/></url>
<url><loc>https://scifaro.com/en/abs/absolutely-localized-projection-based-embedding-for-excited-states-1909.12423</loc><lastmod>2019-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absolutely-localized-projection-based-embedding-for-excited-states-1909.12423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absolutely-localized-projection-based-embedding-for-excited-states-1909.12423"/></url>
<url><loc>https://scifaro.com/en/abs/high-order-strong-methods-for-stochastic-differential-equations-with-colored-noises-1909.12490</loc><lastmod>2019-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-order-strong-methods-for-stochastic-differential-equations-with-colored-noises-1909.12490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-order-strong-methods-for-stochastic-differential-equations-with-colored-noises-1909.12490"/></url>
<url><loc>https://scifaro.com/en/abs/combining-quantum-mechanics-and-machine-learning-calculations-for-anharmonic-corrections-to-vibrational-frequencies-1909.12661</loc><lastmod>2020-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-quantum-mechanics-and-machine-learning-calculations-for-anharmonic-corrections-to-vibrational-frequencies-1909.12661"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-quantum-mechanics-and-machine-learning-calculations-for-anharmonic-corrections-to-vibrational-frequencies-1909.12661"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-process-tomography-of-entangled-photons-as-a-probe-of-intermediates-of-singlet-fission-in-a-tetracene-derivative-1909.12869</loc><lastmod>2019-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-process-tomography-of-entangled-photons-as-a-probe-of-intermediates-of-singlet-fission-in-a-tetracene-derivative-1909.12869"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-process-tomography-of-entangled-photons-as-a-probe-of-intermediates-of-singlet-fission-in-a-tetracene-derivative-1909.12869"/></url>
<url><loc>https://scifaro.com/en/abs/autocatalytic-models-for-the-origin-of-biological-homochirality-1909.13015</loc><lastmod>2019-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autocatalytic-models-for-the-origin-of-biological-homochirality-1909.13015"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autocatalytic-models-for-the-origin-of-biological-homochirality-1909.13015"/></url>
<url><loc>https://scifaro.com/en/abs/contact-ion-pairs-of-phosphate-groups-in-water-two-dimensional-infrared-spectroscopy-of-dimethyl-phosphate-and-ab-initio-simulations-1909.13069</loc><lastmod>2019-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/contact-ion-pairs-of-phosphate-groups-in-water-two-dimensional-infrared-spectroscopy-of-dimethyl-phosphate-and-ab-initio-simulations-1909.13069"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/contact-ion-pairs-of-phosphate-groups-in-water-two-dimensional-infrared-spectroscopy-of-dimethyl-phosphate-and-ab-initio-simulations-1909.13069"/></url>
<url><loc>https://scifaro.com/en/abs/fermi-l-owdin-orbital-self-interaction-correction-using-the-strongly-constrained-and-appropriately-normed-meta-gga-functional-1909.13175</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fermi-l-owdin-orbital-self-interaction-correction-using-the-strongly-constrained-and-appropriately-normed-meta-gga-functional-1909.13175"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fermi-l-owdin-orbital-self-interaction-correction-using-the-strongly-constrained-and-appropriately-normed-meta-gga-functional-1909.13175"/></url>
<url><loc>https://scifaro.com/en/abs/structural-and-electrical-properties-of-ceramic-li-ion-conductors-based-on-li-1-3-al-0-3-ti-1-7-po-4-3-lif-1909.13291</loc><lastmod>2020-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-and-electrical-properties-of-ceramic-li-ion-conductors-based-on-li-1-3-al-0-3-ti-1-7-po-4-3-lif-1909.13291"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-and-electrical-properties-of-ceramic-li-ion-conductors-based-on-li-1-3-al-0-3-ti-1-7-po-4-3-lif-1909.13291"/></url>
<url><loc>https://scifaro.com/en/abs/random-phase-approximation-applied-to-many-body-noncovalent-systems-1909.13353</loc><lastmod>2019-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/random-phase-approximation-applied-to-many-body-noncovalent-systems-1909.13353"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/random-phase-approximation-applied-to-many-body-noncovalent-systems-1909.13353"/></url>
<url><loc>https://scifaro.com/en/abs/water-above-spinodal-1909.13468</loc><lastmod>2020-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-above-spinodal-1909.13468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-above-spinodal-1909.13468"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-nonmetal-dopants-on-charge-separation-of-graphitic-carbon-nitride-by-time-dependent-density-functional-theory-1909.13652</loc><lastmod>2020-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-nonmetal-dopants-on-charge-separation-of-graphitic-carbon-nitride-by-time-dependent-density-functional-theory-1909.13652"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-nonmetal-dopants-on-charge-separation-of-graphitic-carbon-nitride-by-time-dependent-density-functional-theory-1909.13652"/></url>
<url><loc>https://scifaro.com/en/abs/rovibrational-energy-levels-of-the-hydrogen-molecule-through-nonadiabatic-perturbation-theory-1909.13826</loc><lastmod>2020-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rovibrational-energy-levels-of-the-hydrogen-molecule-through-nonadiabatic-perturbation-theory-1909.13826"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rovibrational-energy-levels-of-the-hydrogen-molecule-through-nonadiabatic-perturbation-theory-1909.13826"/></url>
<url><loc>https://scifaro.com/en/abs/computing-vibrational-eigenstates-with-tree-tensor-network-states-ttns-1909.13831</loc><lastmod>2019-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computing-vibrational-eigenstates-with-tree-tensor-network-states-ttns-1909.13831"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computing-vibrational-eigenstates-with-tree-tensor-network-states-ttns-1909.13831"/></url>
<url><loc>https://scifaro.com/en/abs/implementation-of-the-full-ccsdt-electronic-structure-model-with-tensor-decompositions-1910.00506</loc><lastmod>2020-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/implementation-of-the-full-ccsdt-electronic-structure-model-with-tensor-decompositions-1910.00506"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/implementation-of-the-full-ccsdt-electronic-structure-model-with-tensor-decompositions-1910.00506"/></url>
<url><loc>https://scifaro.com/en/abs/a-straightforward-a-posteriori-method-for-reduction-of-density-fitting-error-in-coupled-cluster-calculations-1910.00513</loc><lastmod>2020-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-straightforward-a-posteriori-method-for-reduction-of-density-fitting-error-in-coupled-cluster-calculations-1910.00513"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-straightforward-a-posteriori-method-for-reduction-of-density-fitting-error-in-coupled-cluster-calculations-1910.00513"/></url>
<url><loc>https://scifaro.com/en/abs/a-multiple-filter-based-neural-network-approach-to-the-extrapolation-of-adsorption-energies-on-metal-surfaces-for-catalysis-applications-1910.00623</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multiple-filter-based-neural-network-approach-to-the-extrapolation-of-adsorption-energies-on-metal-surfaces-for-catalysis-applications-1910.00623"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multiple-filter-based-neural-network-approach-to-the-extrapolation-of-adsorption-energies-on-metal-surfaces-for-catalysis-applications-1910.00623"/></url>
<url><loc>https://scifaro.com/en/abs/mass-action-law-conjugate-representation-for-general-chemical-mechanisms-1910.00869</loc><lastmod>2019-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mass-action-law-conjugate-representation-for-general-chemical-mechanisms-1910.00869"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mass-action-law-conjugate-representation-for-general-chemical-mechanisms-1910.00869"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-automated-reaction-discovery-with-boxed-molecular-dynamics-in-energy-space-1910.01349</loc><lastmod>2019-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-automated-reaction-discovery-with-boxed-molecular-dynamics-in-energy-space-1910.01349"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-automated-reaction-discovery-with-boxed-molecular-dynamics-in-energy-space-1910.01349"/></url>
<url><loc>https://scifaro.com/en/abs/excited-electronic-states-in-total-isotropic-scattering-from-molecules-1910.01411</loc><lastmod>2020-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-electronic-states-in-total-isotropic-scattering-from-molecules-1910.01411"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-electronic-states-in-total-isotropic-scattering-from-molecules-1910.01411"/></url>
<url><loc>https://scifaro.com/en/abs/the-thermodynamics-of-the-perfect-vapor-1910.02275</loc><lastmod>2019-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-thermodynamics-of-the-perfect-vapor-1910.02275"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-thermodynamics-of-the-perfect-vapor-1910.02275"/></url>
<url><loc>https://scifaro.com/en/abs/the-impact-of-pressure-on-the-critical-miscibility-of-nitro-compounds-and-n-alkanes-mixtures-1910.02309</loc><lastmod>2019-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-impact-of-pressure-on-the-critical-miscibility-of-nitro-compounds-and-n-alkanes-mixtures-1910.02309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-impact-of-pressure-on-the-critical-miscibility-of-nitro-compounds-and-n-alkanes-mixtures-1910.02309"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-recombination-of-cold-heh-ions-1910.02628</loc><lastmod>2020-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-recombination-of-cold-heh-ions-1910.02628"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-recombination-of-cold-heh-ions-1910.02628"/></url>
<url><loc>https://scifaro.com/en/abs/energy-dependent-frame-transformation-theory-for-dissociative-recombination-1910.02631</loc><lastmod>2020-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-dependent-frame-transformation-theory-for-dissociative-recombination-1910.02631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-dependent-frame-transformation-theory-for-dissociative-recombination-1910.02631"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-linear-buildup-of-coulomb-integrals-via-the-coupling-strength-parameter-in-the-non-relativistic-electronic-schrodinger-equation-1910.02772</loc><lastmod>2021-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-linear-buildup-of-coulomb-integrals-via-the-coupling-strength-parameter-in-the-non-relativistic-electronic-schrodinger-equation-1910.02772"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-linear-buildup-of-coulomb-integrals-via-the-coupling-strength-parameter-in-the-non-relativistic-electronic-schrodinger-equation-1910.02772"/></url>
<url><loc>https://scifaro.com/en/abs/solving-the-non-relativistic-electronic-schrodinger-equation-with-manipulating-the-coupling-strength-parameter-over-the-electron-electron-coulomb-integrals-1910.02942</loc><lastmod>2019-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solving-the-non-relativistic-electronic-schrodinger-equation-with-manipulating-the-coupling-strength-parameter-over-the-electron-electron-coulomb-integrals-1910.02942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solving-the-non-relativistic-electronic-schrodinger-equation-with-manipulating-the-coupling-strength-parameter-over-the-electron-electron-coulomb-integrals-1910.02942"/></url>
<url><loc>https://scifaro.com/en/abs/semi-analytic-evaluation-of-1-2-and-3-electron-coulomb-integrals-with-gaussian-expansion-of-distance-operators-w-r-c1-n-r-d1-m-r-c1-n-r-12-m-r-12-n-r-13-m-1910.02987</loc><lastmod>2021-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semi-analytic-evaluation-of-1-2-and-3-electron-coulomb-integrals-with-gaussian-expansion-of-distance-operators-w-r-c1-n-r-d1-m-r-c1-n-r-12-m-r-12-n-r-13-m-1910.02987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semi-analytic-evaluation-of-1-2-and-3-electron-coulomb-integrals-with-gaussian-expansion-of-distance-operators-w-r-c1-n-r-d1-m-r-c1-n-r-12-m-r-12-n-r-13-m-1910.02987"/></url>
<url><loc>https://scifaro.com/en/abs/high-dimensional-potential-energy-surfaces-for-molecular-simulations-1910.03044</loc><lastmod>2020-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-dimensional-potential-energy-surfaces-for-molecular-simulations-1910.03044"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-dimensional-potential-energy-surfaces-for-molecular-simulations-1910.03044"/></url>
<url><loc>https://scifaro.com/en/abs/a-generalized-variational-principle-with-applications-to-excited-state-mean-field-theory-1910.03145</loc><lastmod>2020-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-generalized-variational-principle-with-applications-to-excited-state-mean-field-theory-1910.03145"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-generalized-variational-principle-with-applications-to-excited-state-mean-field-theory-1910.03145"/></url>
<url><loc>https://scifaro.com/en/abs/intermolecular-vibrations-drive-ultrafast-singlet-fission-1910.03338</loc><lastmod>2019-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intermolecular-vibrations-drive-ultrafast-singlet-fission-1910.03338"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intermolecular-vibrations-drive-ultrafast-singlet-fission-1910.03338"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-many-body-expanded-full-configuration-interaction-theory-1910.03527</loc><lastmod>2019-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-many-body-expanded-full-configuration-interaction-theory-1910.03527"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-many-body-expanded-full-configuration-interaction-theory-1910.03527"/></url>
<url><loc>https://scifaro.com/en/abs/lone-pair-rotational-dynamics-in-solids-1910.03737</loc><lastmod>2020-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lone-pair-rotational-dynamics-in-solids-1910.03737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lone-pair-rotational-dynamics-in-solids-1910.03737"/></url>
<url><loc>https://scifaro.com/en/abs/hypericin-single-molecule-spectroscopy-of-an-active-natural-ingredient-1910.03921</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hypericin-single-molecule-spectroscopy-of-an-active-natural-ingredient-1910.03921"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hypericin-single-molecule-spectroscopy-of-an-active-natural-ingredient-1910.03921"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-quantum-transition-state-theory-in-the-golden-rule-limit-ii-overcoming-the-pitfalls-of-the-saddle-point-and-semiclassical-approximations-1910.04020</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-quantum-transition-state-theory-in-the-golden-rule-limit-ii-overcoming-the-pitfalls-of-the-saddle-point-and-semiclassical-approximations-1910.04020"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-quantum-transition-state-theory-in-the-golden-rule-limit-ii-overcoming-the-pitfalls-of-the-saddle-point-and-semiclassical-approximations-1910.04020"/></url>
<url><loc>https://scifaro.com/en/abs/product-state-distribution-after-isotopic-substitution-in-ultracold-atom-molecule-collisions-1910.04263</loc><lastmod>2020-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/product-state-distribution-after-isotopic-substitution-in-ultracold-atom-molecule-collisions-1910.04263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/product-state-distribution-after-isotopic-substitution-in-ultracold-atom-molecule-collisions-1910.04263"/></url>
<url><loc>https://scifaro.com/en/abs/the-infrared-spectrum-of-protonated-buckminsterfullerene-c60h-1910.04533</loc><lastmod>2019-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-infrared-spectrum-of-protonated-buckminsterfullerene-c60h-1910.04533"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-infrared-spectrum-of-protonated-buckminsterfullerene-c60h-1910.04533"/></url>
<url><loc>https://scifaro.com/en/abs/second-order-exchange-dispersion-energy-based-on-multireference-description-of-monomers-1910.04611</loc><lastmod>2019-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/second-order-exchange-dispersion-energy-based-on-multireference-description-of-monomers-1910.04611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/second-order-exchange-dispersion-energy-based-on-multireference-description-of-monomers-1910.04611"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-stochastic-quantum-chemistry-1910.05210</loc><lastmod>2020-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-stochastic-quantum-chemistry-1910.05210"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-stochastic-quantum-chemistry-1910.05210"/></url>
<url><loc>https://scifaro.com/en/abs/diabatic-hamiltonian-construction-in-van-der-waals-heterostructure-complexes-1910.05213</loc><lastmod>2019-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diabatic-hamiltonian-construction-in-van-der-waals-heterostructure-complexes-1910.05213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diabatic-hamiltonian-construction-in-van-der-waals-heterostructure-complexes-1910.05213"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-simulation-of-tunable-lipid-assemblies-across-scales-and-resolutions-1910.05362</loc><lastmod>2019-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-simulation-of-tunable-lipid-assemblies-across-scales-and-resolutions-1910.05362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-simulation-of-tunable-lipid-assemblies-across-scales-and-resolutions-1910.05362"/></url>
<url><loc>https://scifaro.com/en/abs/fabrication-of-condense-and-thin-ysz-electrolyte-layer-using-novel-thermal-assisted-slurry-spin-coating-method-for-it-sofc-1910.05373</loc><lastmod>2021-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fabrication-of-condense-and-thin-ysz-electrolyte-layer-using-novel-thermal-assisted-slurry-spin-coating-method-for-it-sofc-1910.05373"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fabrication-of-condense-and-thin-ysz-electrolyte-layer-using-novel-thermal-assisted-slurry-spin-coating-method-for-it-sofc-1910.05373"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-equilibration-of-a-model-system-porphine-1910.05982</loc><lastmod>2019-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-equilibration-of-a-model-system-porphine-1910.05982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-equilibration-of-a-model-system-porphine-1910.05982"/></url>
<url><loc>https://scifaro.com/en/abs/transformation-to-a-geminal-basis-and-stationary-conditions-for-the-exact-wave-function-therein-1910.06633</loc><lastmod>2023-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transformation-to-a-geminal-basis-and-stationary-conditions-for-the-exact-wave-function-therein-1910.06633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transformation-to-a-geminal-basis-and-stationary-conditions-for-the-exact-wave-function-therein-1910.06633"/></url>
<url><loc>https://scifaro.com/en/abs/tunable-energy-and-mass-renormalization-from-homothetic-quantum-dot-arrays-1910.06876</loc><lastmod>2024-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tunable-energy-and-mass-renormalization-from-homothetic-quantum-dot-arrays-1910.06876"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tunable-energy-and-mass-renormalization-from-homothetic-quantum-dot-arrays-1910.06876"/></url>
<url><loc>https://scifaro.com/en/abs/third-order-algebraic-diagrammatic-construction-theory-for-electron-attachment-and-ionization-energies-conventional-and-green-s-function-implementation-1910.07116</loc><lastmod>2020-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/third-order-algebraic-diagrammatic-construction-theory-for-electron-attachment-and-ionization-energies-conventional-and-green-s-function-implementation-1910.07116"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/third-order-algebraic-diagrammatic-construction-theory-for-electron-attachment-and-ionization-energies-conventional-and-green-s-function-implementation-1910.07116"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-structure-and-dynamics-of-supercritical-co2-1910.07359</loc><lastmod>2019-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-structure-and-dynamics-of-supercritical-co2-1910.07359"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-structure-and-dynamics-of-supercritical-co2-1910.07359"/></url>
<url><loc>https://scifaro.com/en/abs/biomolecular-nmr-at-1-2-ghz-1910.07462</loc><lastmod>2019-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/biomolecular-nmr-at-1-2-ghz-1910.07462"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/biomolecular-nmr-at-1-2-ghz-1910.07462"/></url>
<url><loc>https://scifaro.com/en/abs/the-use-of-fast-molecular-descriptors-and-artificial-neural-networks-approach-in-organochlorine-compounds-electron-ionization-mass-spectra-classification-1910.07593</loc><lastmod>2019-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-use-of-fast-molecular-descriptors-and-artificial-neural-networks-approach-in-organochlorine-compounds-electron-ionization-mass-spectra-classification-1910.07593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-use-of-fast-molecular-descriptors-and-artificial-neural-networks-approach-in-organochlorine-compounds-electron-ionization-mass-spectra-classification-1910.07593"/></url>
<url><loc>https://scifaro.com/en/abs/finite-temperature-many-body-perturbation-theory-in-the-canonical-ensemble-1910.07628</loc><lastmod>2020-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finite-temperature-many-body-perturbation-theory-in-the-canonical-ensemble-1910.07628"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finite-temperature-many-body-perturbation-theory-in-the-canonical-ensemble-1910.07628"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-reweighting-methods-for-markov-models-1910.07894</loc><lastmod>2020-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-reweighting-methods-for-markov-models-1910.07894"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-reweighting-methods-for-markov-models-1910.07894"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-analysis-of-na-0-74-co-1-x-nb-x-o-2-x-0-0-05-as-cathode-materials-in-sodium-ion-batteries-1910.08788</loc><lastmod>2020-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-analysis-of-na-0-74-co-1-x-nb-x-o-2-x-0-0-05-as-cathode-materials-in-sodium-ion-batteries-1910.08788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-analysis-of-na-0-74-co-1-x-nb-x-o-2-x-0-0-05-as-cathode-materials-in-sodium-ion-batteries-1910.08788"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-study-of-lattice-dynamics-of-dodecaborides-zrb12-and-lub12-1910.09039</loc><lastmod>2019-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-study-of-lattice-dynamics-of-dodecaborides-zrb12-and-lub12-1910.09039"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-study-of-lattice-dynamics-of-dodecaborides-zrb12-and-lub12-1910.09039"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-adapted-high-dimensional-neural-network-representation-of-electronic-friction-tensor-of-adsorbates-on-metals-1910.09774</loc><lastmod>2019-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-adapted-high-dimensional-neural-network-representation-of-electronic-friction-tensor-of-adsorbates-on-metals-1910.09774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-adapted-high-dimensional-neural-network-representation-of-electronic-friction-tensor-of-adsorbates-on-metals-1910.09774"/></url>
<url><loc>https://scifaro.com/en/abs/electron-spin-relaxation-in-radical-pairs-beyond-the-redfield-approximation-1910.09870</loc><lastmod>2019-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-spin-relaxation-in-radical-pairs-beyond-the-redfield-approximation-1910.09870"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-spin-relaxation-in-radical-pairs-beyond-the-redfield-approximation-1910.09870"/></url>
<url><loc>https://scifaro.com/en/abs/site-selective-induced-isomerization-of-formamide-1910.09955</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/site-selective-induced-isomerization-of-formamide-1910.09955"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/site-selective-induced-isomerization-of-formamide-1910.09955"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-hyperdynamics-coupled-with-the-nonorthogonal-tight-binding-approach-implementation-and-validation-1910.09990</loc><lastmod>2019-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-hyperdynamics-coupled-with-the-nonorthogonal-tight-binding-approach-implementation-and-validation-1910.09990"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-hyperdynamics-coupled-with-the-nonorthogonal-tight-binding-approach-implementation-and-validation-1910.09990"/></url>
<url><loc>https://scifaro.com/en/abs/scattering-of-particles-from-a-solid-surface-the-impulsive-model-of-composite-encounters-1910.10014</loc><lastmod>2019-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scattering-of-particles-from-a-solid-surface-the-impulsive-model-of-composite-encounters-1910.10014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scattering-of-particles-from-a-solid-surface-the-impulsive-model-of-composite-encounters-1910.10014"/></url>
<url><loc>https://scifaro.com/en/abs/exact-parameterization-of-fermionic-wave-functions-via-unitary-coupled-cluster-theory-1910.10130</loc><lastmod>2020-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-parameterization-of-fermionic-wave-functions-via-unitary-coupled-cluster-theory-1910.10130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-parameterization-of-fermionic-wave-functions-via-unitary-coupled-cluster-theory-1910.10130"/></url>
<url><loc>https://scifaro.com/en/abs/configuration-interaction-approaches-for-solving-quantum-impurity-models-1910.10215</loc><lastmod>2020-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/configuration-interaction-approaches-for-solving-quantum-impurity-models-1910.10215"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/configuration-interaction-approaches-for-solving-quantum-impurity-models-1910.10215"/></url>
<url><loc>https://scifaro.com/en/abs/characterizing-hydration-of-sds-micelles-by-contrast-variation-small-angle-neutron-scattering-1910.10273</loc><lastmod>2019-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterizing-hydration-of-sds-micelles-by-contrast-variation-small-angle-neutron-scattering-1910.10273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterizing-hydration-of-sds-micelles-by-contrast-variation-small-angle-neutron-scattering-1910.10273"/></url>
<url><loc>https://scifaro.com/en/abs/towards-efficient-density-functional-theory-calculations-without-self-interaction-the-fermi-l-owdin-orbital-self-interaction-correction-1910.10677</loc><lastmod>2019-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-efficient-density-functional-theory-calculations-without-self-interaction-the-fermi-l-owdin-orbital-self-interaction-correction-1910.10677"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-efficient-density-functional-theory-calculations-without-self-interaction-the-fermi-l-owdin-orbital-self-interaction-correction-1910.10677"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-studies-on-anisotropic-charge-mobility-band-structure-and-non-linear-optical-calculations-of-ambipolar-type-organic-semiconductors-1910.11462</loc><lastmod>2019-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-studies-on-anisotropic-charge-mobility-band-structure-and-non-linear-optical-calculations-of-ambipolar-type-organic-semiconductors-1910.11462"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-studies-on-anisotropic-charge-mobility-band-structure-and-non-linear-optical-calculations-of-ambipolar-type-organic-semiconductors-1910.11462"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-yield-enhancement-in-bdmo-ppv-1910.11468</loc><lastmod>2019-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-yield-enhancement-in-bdmo-ppv-1910.11468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-yield-enhancement-in-bdmo-ppv-1910.11468"/></url>
<url><loc>https://scifaro.com/en/abs/a-polyaddition-model-for-the-prebiotic-polymerization-of-rna-and-rna-like-polymers-1910.11484</loc><lastmod>2020-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-polyaddition-model-for-the-prebiotic-polymerization-of-rna-and-rna-like-polymers-1910.11484"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-polyaddition-model-for-the-prebiotic-polymerization-of-rna-and-rna-like-polymers-1910.11484"/></url>
<url><loc>https://scifaro.com/en/abs/ring-polymer-molecular-dynamics-in-gas-surface-reactions-inclusion-of-quantum-effects-made-simple-1910.11512</loc><lastmod>2019-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ring-polymer-molecular-dynamics-in-gas-surface-reactions-inclusion-of-quantum-effects-made-simple-1910.11512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ring-polymer-molecular-dynamics-in-gas-surface-reactions-inclusion-of-quantum-effects-made-simple-1910.11512"/></url>
<url><loc>https://scifaro.com/en/abs/mc6li6-m-li-na-and-k-a-new-series-of-aromatic-superalkalis-1910.11541</loc><lastmod>2019-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mc6li6-m-li-na-and-k-a-new-series-of-aromatic-superalkalis-1910.11541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mc6li6-m-li-na-and-k-a-new-series-of-aromatic-superalkalis-1910.11541"/></url>
<url><loc>https://scifaro.com/en/abs/in-situ-electrochemical-sfg-dfg-study-of-cn-and-nitrile-adsorption-at-au-from-1-butyl-1-methyl-pyrrolidinium-bis-trifluoromethylsulfonyl-amide-ionic-liquid-bmp-tfsa-containing-4-2-1-2-cyanoethyl-1-2-3-4-tetrahydroquinolin-6-yl-diazenyl-benzonitrile-ctdb-and-k-au-cn-2-1910.11657</loc><lastmod>2019-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-situ-electrochemical-sfg-dfg-study-of-cn-and-nitrile-adsorption-at-au-from-1-butyl-1-methyl-pyrrolidinium-bis-trifluoromethylsulfonyl-amide-ionic-liquid-bmp-tfsa-containing-4-2-1-2-cyanoethyl-1-2-3-4-tetrahydroquinolin-6-yl-diazenyl-benzonitrile-ctdb-and-k-au-cn-2-1910.11657"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-situ-electrochemical-sfg-dfg-study-of-cn-and-nitrile-adsorption-at-au-from-1-butyl-1-methyl-pyrrolidinium-bis-trifluoromethylsulfonyl-amide-ionic-liquid-bmp-tfsa-containing-4-2-1-2-cyanoethyl-1-2-3-4-tetrahydroquinolin-6-yl-diazenyl-benzonitrile-ctdb-and-k-au-cn-2-1910.11657"/></url>
<url><loc>https://scifaro.com/en/abs/a-density-based-basis-set-incompleteness-correction-for-gw-methods-1910.12238</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-density-based-basis-set-incompleteness-correction-for-gw-methods-1910.12238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-density-based-basis-set-incompleteness-correction-for-gw-methods-1910.12238"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-state-changing-collisions-between-n-2-and-rb-at-low-energies-1910.12543</loc><lastmod>2020-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-state-changing-collisions-between-n-2-and-rb-at-low-energies-1910.12543"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-state-changing-collisions-between-n-2-and-rb-at-low-energies-1910.12543"/></url>
<url><loc>https://scifaro.com/en/abs/origin-of-vibrational-wavepacket-dynamics-in-fe-carbene-photosensitizer-determined-with-femtosecond-x-ray-emission-and-scattering-1910.13099</loc><lastmod>2020-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/origin-of-vibrational-wavepacket-dynamics-in-fe-carbene-photosensitizer-determined-with-femtosecond-x-ray-emission-and-scattering-1910.13099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/origin-of-vibrational-wavepacket-dynamics-in-fe-carbene-photosensitizer-determined-with-femtosecond-x-ray-emission-and-scattering-1910.13099"/></url>
<url><loc>https://scifaro.com/en/abs/inward-growth-plating-of-lithium-driven-by-solid-solution-based-alloy-phase-for-highly-reversible-lithium-metal-anode-1910.13159</loc><lastmod>2019-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inward-growth-plating-of-lithium-driven-by-solid-solution-based-alloy-phase-for-highly-reversible-lithium-metal-anode-1910.13159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inward-growth-plating-of-lithium-driven-by-solid-solution-based-alloy-phase-for-highly-reversible-lithium-metal-anode-1910.13159"/></url>
<url><loc>https://scifaro.com/en/abs/solubility-of-nitrogen-in-methane-ethane-and-mixtures-of-methane-and-ethane-at-titan-like-conditions-a-molecular-dynamics-study-1910.13343</loc><lastmod>2019-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solubility-of-nitrogen-in-methane-ethane-and-mixtures-of-methane-and-ethane-at-titan-like-conditions-a-molecular-dynamics-study-1910.13343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solubility-of-nitrogen-in-methane-ethane-and-mixtures-of-methane-and-ethane-at-titan-like-conditions-a-molecular-dynamics-study-1910.13343"/></url>
<url><loc>https://scifaro.com/en/abs/deep-learning-for-optoelectronic-properties-of-organic-semiconductors-1910.13551</loc><lastmod>2021-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deep-learning-for-optoelectronic-properties-of-organic-semiconductors-1910.13551"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deep-learning-for-optoelectronic-properties-of-organic-semiconductors-1910.13551"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-plasma-favored-modification-of-anatase-tio-2-001-surface-with-desirable-water-splitting-performance-1910.13575</loc><lastmod>2020-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-plasma-favored-modification-of-anatase-tio-2-001-surface-with-desirable-water-splitting-performance-1910.13575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-plasma-favored-modification-of-anatase-tio-2-001-surface-with-desirable-water-splitting-performance-1910.13575"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-excited-state-electron-transfer-in-fe-tetracyano-polypyridyl-complexes-1910.13695</loc><lastmod>2019-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-excited-state-electron-transfer-in-fe-tetracyano-polypyridyl-complexes-1910.13695"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-excited-state-electron-transfer-in-fe-tetracyano-polypyridyl-complexes-1910.13695"/></url>
<url><loc>https://scifaro.com/en/abs/considerations-regarding-one-photon-phase-control-1910.13878</loc><lastmod>2019-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/considerations-regarding-one-photon-phase-control-1910.13878"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/considerations-regarding-one-photon-phase-control-1910.13878"/></url>
<url><loc>https://scifaro.com/en/abs/operator-quantum-machine-learning-navigating-the-chemical-space-of-response-properties-1910.14418</loc><lastmod>2019-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/operator-quantum-machine-learning-navigating-the-chemical-space-of-response-properties-1910.14418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/operator-quantum-machine-learning-navigating-the-chemical-space-of-response-properties-1910.14418"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-scattering-with-the-r-matrix-method-from-nuclear-scattering-to-atom-atom-scattering-and-beyond-1911.00027</loc><lastmod>2019-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-scattering-with-the-r-matrix-method-from-nuclear-scattering-to-atom-atom-scattering-and-beyond-1911.00027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-scattering-with-the-r-matrix-method-from-nuclear-scattering-to-atom-atom-scattering-and-beyond-1911.00027"/></url>
<url><loc>https://scifaro.com/en/abs/water-mediated-electron-attachment-to-nucleobases-surface-bound-vs-bulk-solvated-electrons-1911.00335</loc><lastmod>2020-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-mediated-electron-attachment-to-nucleobases-surface-bound-vs-bulk-solvated-electrons-1911.00335"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-mediated-electron-attachment-to-nucleobases-surface-bound-vs-bulk-solvated-electrons-1911.00335"/></url>
<url><loc>https://scifaro.com/en/abs/which-oxidation-state-of-uranium-and-thorium-as-point-defects-in-xenotime-is-favorable-1911.00365</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/which-oxidation-state-of-uranium-and-thorium-as-point-defects-in-xenotime-is-favorable-1911.00365"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/which-oxidation-state-of-uranium-and-thorium-as-point-defects-in-xenotime-is-favorable-1911.00365"/></url>
<url><loc>https://scifaro.com/en/abs/systematically-improvable-tensor-hypercontraction-interpolative-separable-density-fitting-for-molecules-applied-to-exact-exchange-second-and-third-order-m-o-ller-plesset-perturbation-theory-1911.00470</loc><lastmod>2020-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematically-improvable-tensor-hypercontraction-interpolative-separable-density-fitting-for-molecules-applied-to-exact-exchange-second-and-third-order-m-o-ller-plesset-perturbation-theory-1911.00470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematically-improvable-tensor-hypercontraction-interpolative-separable-density-fitting-for-molecules-applied-to-exact-exchange-second-and-third-order-m-o-ller-plesset-perturbation-theory-1911.00470"/></url>
<url><loc>https://scifaro.com/en/abs/derivation-of-an-effective-thermal-electrochemical-model-for-porous-electrode-batteries-using-asymptotic-homogenisation-1911.00476</loc><lastmod>2020-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/derivation-of-an-effective-thermal-electrochemical-model-for-porous-electrode-batteries-using-asymptotic-homogenisation-1911.00476"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/derivation-of-an-effective-thermal-electrochemical-model-for-porous-electrode-batteries-using-asymptotic-homogenisation-1911.00476"/></url>
<url><loc>https://scifaro.com/en/abs/special-topic-markov-models-of-molecular-kinetics-1911.00774</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/special-topic-markov-models-of-molecular-kinetics-1911.00774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/special-topic-markov-models-of-molecular-kinetics-1911.00774"/></url>
<url><loc>https://scifaro.com/en/abs/empirical-double-hybrid-density-functional-theory-a-third-way-in-between-wft-and-dft-1911.00857</loc><lastmod>2020-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/empirical-double-hybrid-density-functional-theory-a-third-way-in-between-wft-and-dft-1911.00857"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/empirical-double-hybrid-density-functional-theory-a-third-way-in-between-wft-and-dft-1911.00857"/></url>
<url><loc>https://scifaro.com/en/abs/dimension-free-path-integral-molecular-dynamics-without-preconditioning-1911.00931</loc><lastmod>2020-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dimension-free-path-integral-molecular-dynamics-without-preconditioning-1911.00931"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dimension-free-path-integral-molecular-dynamics-without-preconditioning-1911.00931"/></url>
<url><loc>https://scifaro.com/en/abs/strong-defocusing-of-molecular-reaction-times-results-from-an-interplay-of-geometry-and-reaction-control-1911.00942</loc><lastmod>2019-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-defocusing-of-molecular-reaction-times-results-from-an-interplay-of-geometry-and-reaction-control-1911.00942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-defocusing-of-molecular-reaction-times-results-from-an-interplay-of-geometry-and-reaction-control-1911.00942"/></url>
<url><loc>https://scifaro.com/en/abs/steady-state-reaction-rate-of-diffusion-controlled-reactions-in-sheets-1911.00948</loc><lastmod>2019-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steady-state-reaction-rate-of-diffusion-controlled-reactions-in-sheets-1911.00948"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steady-state-reaction-rate-of-diffusion-controlled-reactions-in-sheets-1911.00948"/></url>
<url><loc>https://scifaro.com/en/abs/site-selective-and-real-time-observation-of-bimolecular-electron-transfer-during-photocatalytic-water-splitting-1911.01254</loc><lastmod>2020-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/site-selective-and-real-time-observation-of-bimolecular-electron-transfer-during-photocatalytic-water-splitting-1911.01254"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/site-selective-and-real-time-observation-of-bimolecular-electron-transfer-during-photocatalytic-water-splitting-1911.01254"/></url>
<url><loc>https://scifaro.com/en/abs/a-lorenz-gauge-formulation-for-tddft-1911.01261</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-lorenz-gauge-formulation-for-tddft-1911.01261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-lorenz-gauge-formulation-for-tddft-1911.01261"/></url>
<url><loc>https://scifaro.com/en/abs/characterizing-multiphoton-excitation-using-time-resolved-x-ray-scattering-1911.01323</loc><lastmod>2020-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterizing-multiphoton-excitation-using-time-resolved-x-ray-scattering-1911.01323"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterizing-multiphoton-excitation-using-time-resolved-x-ray-scattering-1911.01323"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-functions-mean-first-passage-times-and-the-kemeny-constant-1911.01729</loc><lastmod>2020-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-functions-mean-first-passage-times-and-the-kemeny-constant-1911.01729"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-functions-mean-first-passage-times-and-the-kemeny-constant-1911.01729"/></url>
<url><loc>https://scifaro.com/en/abs/information-driven-design-for-shock-tube-laser-absorption-studies-of-fundamental-rate-constants-in-combustion-with-application-to-methanol-pyrolysis-1911.02009</loc><lastmod>2019-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/information-driven-design-for-shock-tube-laser-absorption-studies-of-fundamental-rate-constants-in-combustion-with-application-to-methanol-pyrolysis-1911.02009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/information-driven-design-for-shock-tube-laser-absorption-studies-of-fundamental-rate-constants-in-combustion-with-application-to-methanol-pyrolysis-1911.02009"/></url>
<url><loc>https://scifaro.com/en/abs/cooperatively-enhanced-reactivity-and-stabilitaxis-of-dissociating-oligomeric-proteins-1911.02350</loc><lastmod>2020-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cooperatively-enhanced-reactivity-and-stabilitaxis-of-dissociating-oligomeric-proteins-1911.02350"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cooperatively-enhanced-reactivity-and-stabilitaxis-of-dissociating-oligomeric-proteins-1911.02350"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-for-molecular-simulation-1911.02792</loc><lastmod>2019-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-for-molecular-simulation-1911.02792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-for-molecular-simulation-1911.02792"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-evaluation-of-electronic-coherences-in-polyatomic-molecules-reveals-a-simple-mechanism-of-decoherence-1911.03586</loc><lastmod>2020-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-evaluation-of-electronic-coherences-in-polyatomic-molecules-reveals-a-simple-mechanism-of-decoherence-1911.03586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-semiclassical-evaluation-of-electronic-coherences-in-polyatomic-molecules-reveals-a-simple-mechanism-of-decoherence-1911.03586"/></url>
<url><loc>https://scifaro.com/en/abs/diels-alder-reactions-in-water-are-determined-by-microsolvation-1911.03735</loc><lastmod>2019-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diels-alder-reactions-in-water-are-determined-by-microsolvation-1911.03735"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diels-alder-reactions-in-water-are-determined-by-microsolvation-1911.03735"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-simulations-for-the-spectroscopic-detection-of-atmospheric-gases-1911.04238</loc><lastmod>2019-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-simulations-for-the-spectroscopic-detection-of-atmospheric-gases-1911.04238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-simulations-for-the-spectroscopic-detection-of-atmospheric-gases-1911.04238"/></url>
<url><loc>https://scifaro.com/en/abs/control-of-photodissociation-with-dynamic-stark-effect-induced-by-thz-pulses-1911.04323</loc><lastmod>2020-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/control-of-photodissociation-with-dynamic-stark-effect-induced-by-thz-pulses-1911.04323"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/control-of-photodissociation-with-dynamic-stark-effect-induced-by-thz-pulses-1911.04323"/></url>
<url><loc>https://scifaro.com/en/abs/compound-tunable-embedding-potential-method-and-its-application-to-ytterbium-fluoride-crystals-ybf-2-and-ybf-3-1911.04332</loc><lastmod>2019-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compound-tunable-embedding-potential-method-and-its-application-to-ytterbium-fluoride-crystals-ybf-2-and-ybf-3-1911.04332"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compound-tunable-embedding-potential-method-and-its-application-to-ytterbium-fluoride-crystals-ybf-2-and-ybf-3-1911.04332"/></url>
<url><loc>https://scifaro.com/en/abs/green-s-function-coupled-cluster-simulation-of-the-near-valence-ionizations-of-dna-fragments-1911.04540</loc><lastmod>2020-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/green-s-function-coupled-cluster-simulation-of-the-near-valence-ionizations-of-dna-fragments-1911.04540"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/green-s-function-coupled-cluster-simulation-of-the-near-valence-ionizations-of-dna-fragments-1911.04540"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-orbital-optimization-via-minimizing-the-square-of-the-gradient-general-approach-and-application-to-singly-and-doubly-excited-states-via-density-functional-theory-1911.04709</loc><lastmod>2020-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-orbital-optimization-via-minimizing-the-square-of-the-gradient-general-approach-and-application-to-singly-and-doubly-excited-states-via-density-functional-theory-1911.04709"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-orbital-optimization-via-minimizing-the-square-of-the-gradient-general-approach-and-application-to-singly-and-doubly-excited-states-via-density-functional-theory-1911.04709"/></url>
<url><loc>https://scifaro.com/en/abs/the-rm-n-4s-rm-o-2-x-3-sigma-g-leftrightarrow-rm-o-3p-rm-no-x-2-pi-reaction-thermal-and-vibrational-relaxation-rates-for-the-2-a-4-a-and-2-a-states-1911.04792</loc><lastmod>2020-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-rm-n-4s-rm-o-2-x-3-sigma-g-leftrightarrow-rm-o-3p-rm-no-x-2-pi-reaction-thermal-and-vibrational-relaxation-rates-for-the-2-a-4-a-and-2-a-states-1911.04792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-rm-n-4s-rm-o-2-x-3-sigma-g-leftrightarrow-rm-o-3p-rm-no-x-2-pi-reaction-thermal-and-vibrational-relaxation-rates-for-the-2-a-4-a-and-2-a-states-1911.04792"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-tunneling-of-coupled-methyl-quantum-rotors-in-4-methylpyridine-single-rotor-potential-versus-coupling-interaction-j-chem-phys-textbf-147-194303-2017-1911.04909</loc><lastmod>2019-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-tunneling-of-coupled-methyl-quantum-rotors-in-4-methylpyridine-single-rotor-potential-versus-coupling-interaction-j-chem-phys-textbf-147-194303-2017-1911.04909"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-tunneling-of-coupled-methyl-quantum-rotors-in-4-methylpyridine-single-rotor-potential-versus-coupling-interaction-j-chem-phys-textbf-147-194303-2017-1911.04909"/></url>
<url><loc>https://scifaro.com/en/abs/extended-dynamically-weighted-caspt2-the-best-of-two-worlds-1911.04996</loc><lastmod>2022-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extended-dynamically-weighted-caspt2-the-best-of-two-worlds-1911.04996"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extended-dynamically-weighted-caspt2-the-best-of-two-worlds-1911.04996"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-polaritons-for-controlling-chemistry-with-quantum-optics-1911.05017</loc><lastmod>2020-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-polaritons-for-controlling-chemistry-with-quantum-optics-1911.05017"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-polaritons-for-controlling-chemistry-with-quantum-optics-1911.05017"/></url>
<url><loc>https://scifaro.com/en/abs/a-multireference-quantum-krylov-algorithm-for-strongly-correlated-electrons-1911.05163</loc><lastmod>2019-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multireference-quantum-krylov-algorithm-for-strongly-correlated-electrons-1911.05163"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multireference-quantum-krylov-algorithm-for-strongly-correlated-electrons-1911.05163"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-strategy-for-enhanced-production-of-nanoparticles-by-laser-ablation-in-liquids-1911.05406</loc><lastmod>2020-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-strategy-for-enhanced-production-of-nanoparticles-by-laser-ablation-in-liquids-1911.05406"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-strategy-for-enhanced-production-of-nanoparticles-by-laser-ablation-in-liquids-1911.05406"/></url>
<url><loc>https://scifaro.com/en/abs/on-derivatives-of-the-energy-with-respect-to-total-electron-number-and-orbital-occupation-numbers-a-critique-of-janak-s-theorem-1911.05651</loc><lastmod>2019-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-derivatives-of-the-energy-with-respect-to-total-electron-number-and-orbital-occupation-numbers-a-critique-of-janak-s-theorem-1911.05651"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-derivatives-of-the-energy-with-respect-to-total-electron-number-and-orbital-occupation-numbers-a-critique-of-janak-s-theorem-1911.05651"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-correlation-functionals-from-the-entropic-regularisation-of-the-strictly-correlated-electrons-problem-1911.05818</loc><lastmod>2019-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-correlation-functionals-from-the-entropic-regularisation-of-the-strictly-correlated-electrons-problem-1911.05818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-correlation-functionals-from-the-entropic-regularisation-of-the-strictly-correlated-electrons-problem-1911.05818"/></url>
<url><loc>https://scifaro.com/en/abs/an-edge-based-formulation-of-elastic-network-models-1911.06152</loc><lastmod>2020-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-edge-based-formulation-of-elastic-network-models-1911.06152"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-edge-based-formulation-of-elastic-network-models-1911.06152"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-cloaking-1911.06227</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-cloaking-1911.06227"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-cloaking-1911.06227"/></url>
<url><loc>https://scifaro.com/en/abs/instanton-formulation-of-fermi-s-golden-rule-in-the-marcus-inverted-regime-1911.06730</loc><lastmod>2020-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/instanton-formulation-of-fermi-s-golden-rule-in-the-marcus-inverted-regime-1911.06730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/instanton-formulation-of-fermi-s-golden-rule-in-the-marcus-inverted-regime-1911.06730"/></url>
<url><loc>https://scifaro.com/en/abs/exact-non-adiabatic-part-of-the-kohn-sham-potential-and-its-fluidic-approximation-1911.06767</loc><lastmod>2020-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-non-adiabatic-part-of-the-kohn-sham-potential-and-its-fluidic-approximation-1911.06767"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-non-adiabatic-part-of-the-kohn-sham-potential-and-its-fluidic-approximation-1911.06767"/></url>
<url><loc>https://scifaro.com/en/abs/multireference-electron-correlation-methods-journeys-along-potential-energy-surfaces-1911.06836</loc><lastmod>2019-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multireference-electron-correlation-methods-journeys-along-potential-energy-surfaces-1911.06836"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multireference-electron-correlation-methods-journeys-along-potential-energy-surfaces-1911.06836"/></url>
<url><loc>https://scifaro.com/en/abs/bonding-in-light-induced-vortices-benzene-in-a-high-frequency-circular-polarized-laser-1911.06976</loc><lastmod>2019-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bonding-in-light-induced-vortices-benzene-in-a-high-frequency-circular-polarized-laser-1911.06976"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bonding-in-light-induced-vortices-benzene-in-a-high-frequency-circular-polarized-laser-1911.06976"/></url>
<url><loc>https://scifaro.com/en/abs/pt-supported-on-plasma-chemical-titanium-nitride-for-efficient-room-temperature-co-oxidation-1911.07321</loc><lastmod>2019-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pt-supported-on-plasma-chemical-titanium-nitride-for-efficient-room-temperature-co-oxidation-1911.07321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pt-supported-on-plasma-chemical-titanium-nitride-for-efficient-room-temperature-co-oxidation-1911.07321"/></url>
<url><loc>https://scifaro.com/en/abs/zero-to-ultralow-field-nuclear-magnetic-resonance-j-spectroscopy-with-commercial-atomic-magnetometers-1911.07554</loc><lastmod>2020-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zero-to-ultralow-field-nuclear-magnetic-resonance-j-spectroscopy-with-commercial-atomic-magnetometers-1911.07554"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zero-to-ultralow-field-nuclear-magnetic-resonance-j-spectroscopy-with-commercial-atomic-magnetometers-1911.07554"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-analytic-second-derivative-of-electrostatic-embedding-qm-mm-energy-normal-mode-analysis-of-plant-cryptochrome-1911.07784</loc><lastmod>2020-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-analytic-second-derivative-of-electrostatic-embedding-qm-mm-energy-normal-mode-analysis-of-plant-cryptochrome-1911.07784"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-analytic-second-derivative-of-electrostatic-embedding-qm-mm-energy-normal-mode-analysis-of-plant-cryptochrome-1911.07784"/></url>
<url><loc>https://scifaro.com/en/abs/attosecond-timing-of-electron-emission-from-a-molecular-shape-resonance-1911.08181</loc><lastmod>2020-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attosecond-timing-of-electron-emission-from-a-molecular-shape-resonance-1911.08181"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attosecond-timing-of-electron-emission-from-a-molecular-shape-resonance-1911.08181"/></url>
<url><loc>https://scifaro.com/en/abs/the-peculiar-size-and-temperature-dependence-of-water-diffusion-in-carbon-nanotubes-studied-with-2d-nmr-diffusion-relaxation-d-t2eff-spectroscopy-1911.08219</loc><lastmod>2020-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-peculiar-size-and-temperature-dependence-of-water-diffusion-in-carbon-nanotubes-studied-with-2d-nmr-diffusion-relaxation-d-t2eff-spectroscopy-1911.08219"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-peculiar-size-and-temperature-dependence-of-water-diffusion-in-carbon-nanotubes-studied-with-2d-nmr-diffusion-relaxation-d-t2eff-spectroscopy-1911.08219"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-absolute-and-relative-core-level-binding-energies-from-gw-1911.08428</loc><lastmod>2020-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-absolute-and-relative-core-level-binding-energies-from-gw-1911.08428"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-absolute-and-relative-core-level-binding-energies-from-gw-1911.08428"/></url>
<url><loc>https://scifaro.com/en/abs/complexity-reduction-in-density-functional-theory-calculations-of-large-systems-system-partitioning-and-fragment-embedding-1911.08699</loc><lastmod>2020-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complexity-reduction-in-density-functional-theory-calculations-of-large-systems-system-partitioning-and-fragment-embedding-1911.08699"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complexity-reduction-in-density-functional-theory-calculations-of-large-systems-system-partitioning-and-fragment-embedding-1911.08699"/></url>
<url><loc>https://scifaro.com/en/abs/crystallographic-refinement-using-non-spherical-form-factors-in-olex2-refine-1911.08847</loc><lastmod>2019-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crystallographic-refinement-using-non-spherical-form-factors-in-olex2-refine-1911.08847"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crystallographic-refinement-using-non-spherical-form-factors-in-olex2-refine-1911.08847"/></url>
<url><loc>https://scifaro.com/en/abs/divanillin-based-aromatic-amines-synthesis-and-application-as-curing-agents-for-bio-based-epoxy-thermosets-1911.08960</loc><lastmod>2019-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/divanillin-based-aromatic-amines-synthesis-and-application-as-curing-agents-for-bio-based-epoxy-thermosets-1911.08960"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/divanillin-based-aromatic-amines-synthesis-and-application-as-curing-agents-for-bio-based-epoxy-thermosets-1911.08960"/></url>
<url><loc>https://scifaro.com/en/abs/rheology-of-mixed-solutions-of-sulfonated-methyl-esters-and-betaine-in-relation-to-the-growth-of-giant-micelles-and-shampoo-applications-1911.09330</loc><lastmod>2020-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rheology-of-mixed-solutions-of-sulfonated-methyl-esters-and-betaine-in-relation-to-the-growth-of-giant-micelles-and-shampoo-applications-1911.09330"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rheology-of-mixed-solutions-of-sulfonated-methyl-esters-and-betaine-in-relation-to-the-growth-of-giant-micelles-and-shampoo-applications-1911.09330"/></url>
<url><loc>https://scifaro.com/en/abs/reactive-dynamics-and-spectroscopy-of-hydrogen-transfer-from-neural-network-based-reactive-potential-energy-surfaces-1911.09475</loc><lastmod>2020-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactive-dynamics-and-spectroscopy-of-hydrogen-transfer-from-neural-network-based-reactive-potential-energy-surfaces-1911.09475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactive-dynamics-and-spectroscopy-of-hydrogen-transfer-from-neural-network-based-reactive-potential-energy-surfaces-1911.09475"/></url>
<url><loc>https://scifaro.com/en/abs/the-nature-of-the-chemical-bond-in-the-dicarbon-molecule-1911.09748</loc><lastmod>2020-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-nature-of-the-chemical-bond-in-the-dicarbon-molecule-1911.09748"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-nature-of-the-chemical-bond-in-the-dicarbon-molecule-1911.09748"/></url>
<url><loc>https://scifaro.com/en/abs/is-density-functional-theory-accurate-for-lytic-polysaccharide-monooxygenase-enzymes-1911.09780</loc><lastmod>2022-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-density-functional-theory-accurate-for-lytic-polysaccharide-monooxygenase-enzymes-1911.09780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-density-functional-theory-accurate-for-lytic-polysaccharide-monooxygenase-enzymes-1911.09780"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-role-of-solvent-in-hydrophobic-cavity-ligand-recognition-kinetics-1911.09838</loc><lastmod>2020-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-role-of-solvent-in-hydrophobic-cavity-ligand-recognition-kinetics-1911.09838"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-role-of-solvent-in-hydrophobic-cavity-ligand-recognition-kinetics-1911.09838"/></url>
<url><loc>https://scifaro.com/en/abs/a-blessing-and-a-curse-how-a-supercapacitor-s-large-capacitance-causes-its-slow-charging-1911.09924</loc><lastmod>2020-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-blessing-and-a-curse-how-a-supercapacitor-s-large-capacitance-causes-its-slow-charging-1911.09924"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-blessing-and-a-curse-how-a-supercapacitor-s-large-capacitance-causes-its-slow-charging-1911.09924"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-chemical-compound-space-with-quantum-based-machine-learning-1911.10084</loc><lastmod>2019-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-chemical-compound-space-with-quantum-based-machine-learning-1911.10084"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-chemical-compound-space-with-quantum-based-machine-learning-1911.10084"/></url>
<url><loc>https://scifaro.com/en/abs/communication-curing-basis-set-overcompleteness-with-pivoted-cholesky-decompositions-1911.10372</loc><lastmod>2019-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/communication-curing-basis-set-overcompleteness-with-pivoted-cholesky-decompositions-1911.10372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/communication-curing-basis-set-overcompleteness-with-pivoted-cholesky-decompositions-1911.10372"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-cavity-ring-down-spectroscopy-of-the-nu-1-nu-6-combination-band-of-methanol-at-2-0-mu-m-1911.10592</loc><lastmod>2019-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-cavity-ring-down-spectroscopy-of-the-nu-1-nu-6-combination-band-of-methanol-at-2-0-mu-m-1911.10592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-cavity-ring-down-spectroscopy-of-the-nu-1-nu-6-combination-band-of-methanol-at-2-0-mu-m-1911.10592"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-selectivity-and-quantum-interference-in-real-time-electron-dynamics-gaining-insights-from-time-dependent-configuration-interaction-simulations-1911.10620</loc><lastmod>2020-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-selectivity-and-quantum-interference-in-real-time-electron-dynamics-gaining-insights-from-time-dependent-configuration-interaction-simulations-1911.10620"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-selectivity-and-quantum-interference-in-real-time-electron-dynamics-gaining-insights-from-time-dependent-configuration-interaction-simulations-1911.10620"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-lambda-doubling-in-the-b-3-pi-1-state-of-tlf-1911.10734</loc><lastmod>2024-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-lambda-doubling-in-the-b-3-pi-1-state-of-tlf-1911.10734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-lambda-doubling-in-the-b-3-pi-1-state-of-tlf-1911.10734"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-and-stochastic-multireference-perturbation-theory-for-large-active-spaces-within-a-full-configuration-interaction-quantum-monte-carlo-framework-1911.11042</loc><lastmod>2020-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-and-stochastic-multireference-perturbation-theory-for-large-active-spaces-within-a-full-configuration-interaction-quantum-monte-carlo-framework-1911.11042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-and-stochastic-multireference-perturbation-theory-for-large-active-spaces-within-a-full-configuration-interaction-quantum-monte-carlo-framework-1911.11042"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemistry-based-design-of-halobenzene-derivatives-with-augmented-affinities-for-the-hiv-1-viral-g4-c16-base-pair-1911.11100</loc><lastmod>2021-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemistry-based-design-of-halobenzene-derivatives-with-augmented-affinities-for-the-hiv-1-viral-g4-c16-base-pair-1911.11100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemistry-based-design-of-halobenzene-derivatives-with-augmented-affinities-for-the-hiv-1-viral-g4-c16-base-pair-1911.11100"/></url>
<url><loc>https://scifaro.com/en/abs/global-hybrid-multiconfiguration-pair-density-functional-theory-1911.11162</loc><lastmod>2019-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/global-hybrid-multiconfiguration-pair-density-functional-theory-1911.11162"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/global-hybrid-multiconfiguration-pair-density-functional-theory-1911.11162"/></url>
<url><loc>https://scifaro.com/en/abs/controlled-edge-dependent-stacking-of-ws2-ws2-homo-and-ws2-wse2-hetero-structures-a-computational-study-1911.11289</loc><lastmod>2019-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlled-edge-dependent-stacking-of-ws2-ws2-homo-and-ws2-wse2-hetero-structures-a-computational-study-1911.11289"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlled-edge-dependent-stacking-of-ws2-ws2-homo-and-ws2-wse2-hetero-structures-a-computational-study-1911.11289"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-algorithm-for-interfacial-statistical-associating-fluid-isaft-in-cylindrical-geometry-1911.11321</loc><lastmod>2019-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-algorithm-for-interfacial-statistical-associating-fluid-isaft-in-cylindrical-geometry-1911.11321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-algorithm-for-interfacial-statistical-associating-fluid-isaft-in-cylindrical-geometry-1911.11321"/></url>
<url><loc>https://scifaro.com/en/abs/a-wave-function-perspective-and-efficient-truncation-of-renormalised-second-order-perturbation-theory-1911.11695</loc><lastmod>2020-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-wave-function-perspective-and-efficient-truncation-of-renormalised-second-order-perturbation-theory-1911.11695"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-wave-function-perspective-and-efficient-truncation-of-renormalised-second-order-perturbation-theory-1911.11695"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-the-inner-shell-contribution-to-the-correlation-energy-through-dlpno-cepa-1-and-scaled-same-spin-second-order-m-o-ller-plesset-perturbation-theory-1911.11764</loc><lastmod>2024-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-the-inner-shell-contribution-to-the-correlation-energy-through-dlpno-cepa-1-and-scaled-same-spin-second-order-m-o-ller-plesset-perturbation-theory-1911.11764"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-the-inner-shell-contribution-to-the-correlation-energy-through-dlpno-cepa-1-and-scaled-same-spin-second-order-m-o-ller-plesset-perturbation-theory-1911.11764"/></url>
<url><loc>https://scifaro.com/en/abs/universal-relation-between-thermodynamic-driving-force-and-one-way-fluxes-in-a-nonequilibrium-chemical-reaction-with-complex-mechanism-1911.11956</loc><lastmod>2020-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-relation-between-thermodynamic-driving-force-and-one-way-fluxes-in-a-nonequilibrium-chemical-reaction-with-complex-mechanism-1911.11956"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-relation-between-thermodynamic-driving-force-and-one-way-fluxes-in-a-nonequilibrium-chemical-reaction-with-complex-mechanism-1911.11956"/></url>
<url><loc>https://scifaro.com/en/abs/broadband-impulsive-stimulated-raman-scattering-based-on-a-chirped-detection-1911.12086</loc><lastmod>2019-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/broadband-impulsive-stimulated-raman-scattering-based-on-a-chirped-detection-1911.12086"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/broadband-impulsive-stimulated-raman-scattering-based-on-a-chirped-detection-1911.12086"/></url>
<url><loc>https://scifaro.com/en/abs/spatial-resolution-sensitivity-and-surface-selectivity-in-resonant-mode-photothermal-induced-resonance-spectroscopy-1911.12097</loc><lastmod>2019-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spatial-resolution-sensitivity-and-surface-selectivity-in-resonant-mode-photothermal-induced-resonance-spectroscopy-1911.12097"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spatial-resolution-sensitivity-and-surface-selectivity-in-resonant-mode-photothermal-induced-resonance-spectroscopy-1911.12097"/></url>
<url><loc>https://scifaro.com/en/abs/neural-network-based-in-silico-simulation-of-combustion-reactions-1911.12252</loc><lastmod>2020-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-network-based-in-silico-simulation-of-combustion-reactions-1911.12252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-network-based-in-silico-simulation-of-combustion-reactions-1911.12252"/></url>
<url><loc>https://scifaro.com/en/abs/the-effect-of-nuclear-quadrupole-coupling-in-the-laser-induced-alignment-of-molecules-1911.12270</loc><lastmod>2020-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effect-of-nuclear-quadrupole-coupling-in-the-laser-induced-alignment-of-molecules-1911.12270"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effect-of-nuclear-quadrupole-coupling-in-the-laser-induced-alignment-of-molecules-1911.12270"/></url>
<url><loc>https://scifaro.com/en/abs/using-chronoamperometry-to-rapidly-measure-and-quantitatively-analyse-rate-performance-in-battery-electrodes-1911.12305</loc><lastmod>2019-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-chronoamperometry-to-rapidly-measure-and-quantitatively-analyse-rate-performance-in-battery-electrodes-1911.12305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-chronoamperometry-to-rapidly-measure-and-quantitatively-analyse-rate-performance-in-battery-electrodes-1911.12305"/></url>
<url><loc>https://scifaro.com/en/abs/classification-of-coherent-enhancements-of-light-harvesting-processes-1911.12376</loc><lastmod>2020-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classification-of-coherent-enhancements-of-light-harvesting-processes-1911.12376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classification-of-coherent-enhancements-of-light-harvesting-processes-1911.12376"/></url>
<url><loc>https://scifaro.com/en/abs/robust-accurate-and-efficient-quantum-embedding-using-the-huzinaga-level-shift-projection-operator-for-complex-systems-1911.12449</loc><lastmod>2019-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-accurate-and-efficient-quantum-embedding-using-the-huzinaga-level-shift-projection-operator-for-complex-systems-1911.12449"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-accurate-and-efficient-quantum-embedding-using-the-huzinaga-level-shift-projection-operator-for-complex-systems-1911.12449"/></url>
<url><loc>https://scifaro.com/en/abs/iterative-configuration-interaction-with-selection-1911.12506</loc><lastmod>2020-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/iterative-configuration-interaction-with-selection-1911.12506"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/iterative-configuration-interaction-with-selection-1911.12506"/></url>
<url><loc>https://scifaro.com/en/abs/prerequisites-for-relevant-spectral-density-and-convergence-of-reduced-density-matrices-at-low-temperatures-1911.12735</loc><lastmod>2020-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prerequisites-for-relevant-spectral-density-and-convergence-of-reduced-density-matrices-at-low-temperatures-1911.12735"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prerequisites-for-relevant-spectral-density-and-convergence-of-reduced-density-matrices-at-low-temperatures-1911.12735"/></url>
<url><loc>https://scifaro.com/en/abs/intrinsically-distinct-hole-and-electron-transport-in-conjugated-polymers-controlled-by-intra-and-intermolecular-interactions-1911.13041</loc><lastmod>2019-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrinsically-distinct-hole-and-electron-transport-in-conjugated-polymers-controlled-by-intra-and-intermolecular-interactions-1911.13041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrinsically-distinct-hole-and-electron-transport-in-conjugated-polymers-controlled-by-intra-and-intermolecular-interactions-1911.13041"/></url>
<url><loc>https://scifaro.com/en/abs/rapid-and-accurate-molecular-deprotonation-energies-from-quantum-alchemy-1911.13080</loc><lastmod>2019-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rapid-and-accurate-molecular-deprotonation-energies-from-quantum-alchemy-1911.13080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rapid-and-accurate-molecular-deprotonation-energies-from-quantum-alchemy-1911.13080"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-tracking-biosensors-unconstrained-detection-and-performance-limits-1912.00431</loc><lastmod>2019-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-tracking-biosensors-unconstrained-detection-and-performance-limits-1912.00431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-tracking-biosensors-unconstrained-detection-and-performance-limits-1912.00431"/></url>
<url><loc>https://scifaro.com/en/abs/tracking-the-ultraviolet-photochemistry-of-thiophenone-during-and-beyond-the-initial-ultrafast-ring-opening-1912.00531</loc><lastmod>2020-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tracking-the-ultraviolet-photochemistry-of-thiophenone-during-and-beyond-the-initial-ultrafast-ring-opening-1912.00531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tracking-the-ultraviolet-photochemistry-of-thiophenone-during-and-beyond-the-initial-ultrafast-ring-opening-1912.00531"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-effects-on-the-ionic-conductivity-in-concentrated-alkaline-electrolyte-solutions-1912.00640</loc><lastmod>2019-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-effects-on-the-ionic-conductivity-in-concentrated-alkaline-electrolyte-solutions-1912.00640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-effects-on-the-ionic-conductivity-in-concentrated-alkaline-electrolyte-solutions-1912.00640"/></url>
<url><loc>https://scifaro.com/en/abs/entangled-system-and-environment-dynamics-phase-space-dissipaton-theory-1912.00794</loc><lastmod>2020-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entangled-system-and-environment-dynamics-phase-space-dissipaton-theory-1912.00794"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entangled-system-and-environment-dynamics-phase-space-dissipaton-theory-1912.00794"/></url>
<url><loc>https://scifaro.com/en/abs/a-skeletal-mechanism-for-premixed-flames-of-isooctane-2-methylfuran-blends-1912.00881</loc><lastmod>2022-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-skeletal-mechanism-for-premixed-flames-of-isooctane-2-methylfuran-blends-1912.00881"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-skeletal-mechanism-for-premixed-flames-of-isooctane-2-methylfuran-blends-1912.00881"/></url>
<url><loc>https://scifaro.com/en/abs/using-density-matrix-quantum-monte-carlo-for-calculating-exact-on-average-energies-for-ab-initio-hamiltonians-in-a-finite-basis-set-1912.00889</loc><lastmod>2019-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-density-matrix-quantum-monte-carlo-for-calculating-exact-on-average-energies-for-ab-initio-hamiltonians-in-a-finite-basis-set-1912.00889"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-density-matrix-quantum-monte-carlo-for-calculating-exact-on-average-energies-for-ab-initio-hamiltonians-in-a-finite-basis-set-1912.00889"/></url>
<url><loc>https://scifaro.com/en/abs/the-multi-configurational-time-dependent-hartree-approach-in-optimized-second-quantization-imaginary-time-propagation-and-particle-number-conservation-1912.00954</loc><lastmod>2020-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-multi-configurational-time-dependent-hartree-approach-in-optimized-second-quantization-imaginary-time-propagation-and-particle-number-conservation-1912.00954"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-multi-configurational-time-dependent-hartree-approach-in-optimized-second-quantization-imaginary-time-propagation-and-particle-number-conservation-1912.00954"/></url>
<url><loc>https://scifaro.com/en/abs/complexes-of-gold-and-imidazole-formed-in-helium-nanodroplets-1912.01357</loc><lastmod>2019-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complexes-of-gold-and-imidazole-formed-in-helium-nanodroplets-1912.01357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complexes-of-gold-and-imidazole-formed-in-helium-nanodroplets-1912.01357"/></url>
<url><loc>https://scifaro.com/en/abs/improved-grid-optimization-and-fitting-in-least-squares-tensor-hypercontraction-1912.02120</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-grid-optimization-and-fitting-in-least-squares-tensor-hypercontraction-1912.02120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-grid-optimization-and-fitting-in-least-squares-tensor-hypercontraction-1912.02120"/></url>
<url><loc>https://scifaro.com/en/abs/oriented-external-electric-field-modulated-second-order-nonlinear-optical-response-and-visible-transparency-in-hexalithiobenzene-1912.02174</loc><lastmod>2019-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oriented-external-electric-field-modulated-second-order-nonlinear-optical-response-and-visible-transparency-in-hexalithiobenzene-1912.02174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oriented-external-electric-field-modulated-second-order-nonlinear-optical-response-and-visible-transparency-in-hexalithiobenzene-1912.02174"/></url>
<url><loc>https://scifaro.com/en/abs/formation-and-stabilization-of-ground-and-excited-state-singlet-o-2-upon-recombination-of-3-p-oxygen-on-amorphous-solid-water-1912.02471</loc><lastmod>2020-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-and-stabilization-of-ground-and-excited-state-singlet-o-2-upon-recombination-of-3-p-oxygen-on-amorphous-solid-water-1912.02471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-and-stabilization-of-ground-and-excited-state-singlet-o-2-upon-recombination-of-3-p-oxygen-on-amorphous-solid-water-1912.02471"/></url>
<url><loc>https://scifaro.com/en/abs/quantifying-the-effect-of-electrical-conductivity-on-the-rate-performance-of-nanocomposite-battery-electrodes-1912.02485</loc><lastmod>2019-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantifying-the-effect-of-electrical-conductivity-on-the-rate-performance-of-nanocomposite-battery-electrodes-1912.02485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantifying-the-effect-of-electrical-conductivity-on-the-rate-performance-of-nanocomposite-battery-electrodes-1912.02485"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-prediction-of-chemical-shifts-for-aqueous-protein-structure-for-real-world-cases-using-machine-learning-1912.02735</loc><lastmod>2019-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-prediction-of-chemical-shifts-for-aqueous-protein-structure-for-real-world-cases-using-machine-learning-1912.02735"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-prediction-of-chemical-shifts-for-aqueous-protein-structure-for-real-world-cases-using-machine-learning-1912.02735"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-rotational-spectroscopy-reveals-many-body-interactions-in-water-molecules-1912.02789</loc><lastmod>2020-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-rotational-spectroscopy-reveals-many-body-interactions-in-water-molecules-1912.02789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-rotational-spectroscopy-reveals-many-body-interactions-in-water-molecules-1912.02789"/></url>
<url><loc>https://scifaro.com/en/abs/controlling-the-nonadiabatic-electron-transfer-reaction-rate-through-molecular-vibration-polaritons-in-the-ultrastrong-coupling-regime-1912.02950</loc><lastmod>2020-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlling-the-nonadiabatic-electron-transfer-reaction-rate-through-molecular-vibration-polaritons-in-the-ultrastrong-coupling-regime-1912.02950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlling-the-nonadiabatic-electron-transfer-reaction-rate-through-molecular-vibration-polaritons-in-the-ultrastrong-coupling-regime-1912.02950"/></url>
<url><loc>https://scifaro.com/en/abs/improved-semiclassical-dynamics-through-adiabatic-switching-trajectory-sampling-1912.03034</loc><lastmod>2019-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-semiclassical-dynamics-through-adiabatic-switching-trajectory-sampling-1912.03034"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-semiclassical-dynamics-through-adiabatic-switching-trajectory-sampling-1912.03034"/></url>
<url><loc>https://scifaro.com/en/abs/the-uncertainty-of-glass-transition-temperature-in-molecular-dynamics-simulations-and-numerical-algorithm-for-its-unique-determination-1912.03040</loc><lastmod>2020-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-uncertainty-of-glass-transition-temperature-in-molecular-dynamics-simulations-and-numerical-algorithm-for-its-unique-determination-1912.03040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-uncertainty-of-glass-transition-temperature-in-molecular-dynamics-simulations-and-numerical-algorithm-for-its-unique-determination-1912.03040"/></url>
<url><loc>https://scifaro.com/en/abs/inexpensive-modelling-of-quantum-dynamics-using-path-integral-generalized-langevin-equation-thermostats-1912.03189</loc><lastmod>2020-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inexpensive-modelling-of-quantum-dynamics-using-path-integral-generalized-langevin-equation-thermostats-1912.03189"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inexpensive-modelling-of-quantum-dynamics-using-path-integral-generalized-langevin-equation-thermostats-1912.03189"/></url>
<url><loc>https://scifaro.com/en/abs/interaction-between-mo-and-intrinsic-or-extrinsic-defects-of-mo-doped-linbo-3-from-first-principles-calculations-1912.03431</loc><lastmod>2020-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interaction-between-mo-and-intrinsic-or-extrinsic-defects-of-mo-doped-linbo-3-from-first-principles-calculations-1912.03431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interaction-between-mo-and-intrinsic-or-extrinsic-defects-of-mo-doped-linbo-3-from-first-principles-calculations-1912.03431"/></url>
<url><loc>https://scifaro.com/en/abs/freezing-of-two-length-scale-systems-complexity-universality-and-prediction-1912.03486</loc><lastmod>2020-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/freezing-of-two-length-scale-systems-complexity-universality-and-prediction-1912.03486"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/freezing-of-two-length-scale-systems-complexity-universality-and-prediction-1912.03486"/></url>
<url><loc>https://scifaro.com/en/abs/three-player-polaritons-nonadiabatic-fingerprints-in-an-entangled-atom-molecule-photon-system-1912.03916</loc><lastmod>2020-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/three-player-polaritons-nonadiabatic-fingerprints-in-an-entangled-atom-molecule-photon-system-1912.03916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/three-player-polaritons-nonadiabatic-fingerprints-in-an-entangled-atom-molecule-photon-system-1912.03916"/></url>
<url><loc>https://scifaro.com/en/abs/hydration-mimicry-by-membrane-ion-channels-1912.04102</loc><lastmod>2019-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydration-mimicry-by-membrane-ion-channels-1912.04102"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydration-mimicry-by-membrane-ion-channels-1912.04102"/></url>
<url><loc>https://scifaro.com/en/abs/multi-reference-protocol-for-auto-ionization-spectra-application-to-molecules-1912.04139</loc><lastmod>2020-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-reference-protocol-for-auto-ionization-spectra-application-to-molecules-1912.04139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-reference-protocol-for-auto-ionization-spectra-application-to-molecules-1912.04139"/></url>
<url><loc>https://scifaro.com/en/abs/a-mountaineering-strategy-to-excited-states-highly-accurate-energies-and-benchmarks-for-medium-size-molecules-1912.04173</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mountaineering-strategy-to-excited-states-highly-accurate-energies-and-benchmarks-for-medium-size-molecules-1912.04173"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mountaineering-strategy-to-excited-states-highly-accurate-energies-and-benchmarks-for-medium-size-molecules-1912.04173"/></url>
<url><loc>https://scifaro.com/en/abs/noisy-sparse-nonlinear-navigating-the-bermuda-triangle-of-physical-inference-with-deep-filtering-1912.04345</loc><lastmod>2019-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noisy-sparse-nonlinear-navigating-the-bermuda-triangle-of-physical-inference-with-deep-filtering-1912.04345"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noisy-sparse-nonlinear-navigating-the-bermuda-triangle-of-physical-inference-with-deep-filtering-1912.04345"/></url>
<url><loc>https://scifaro.com/en/abs/is-adc-3-as-accurate-as-cc3-for-valence-and-rydberg-transition-energies-1912.04806</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-adc-3-as-accurate-as-cc3-for-valence-and-rydberg-transition-energies-1912.04806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-adc-3-as-accurate-as-cc3-for-valence-and-rydberg-transition-energies-1912.04806"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-electronic-structure-of-benzene-and-borazine-an-algebraic-description-1912.05059</loc><lastmod>2020-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-electronic-structure-of-benzene-and-borazine-an-algebraic-description-1912.05059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-electronic-structure-of-benzene-and-borazine-an-algebraic-description-1912.05059"/></url>
<url><loc>https://scifaro.com/en/abs/schr-odinger-ani-an-eight-element-neural-network-interaction-potential-with-greatly-expanded-coverage-of-druglike-chemical-space-1912.05079</loc><lastmod>2019-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/schr-odinger-ani-an-eight-element-neural-network-interaction-potential-with-greatly-expanded-coverage-of-druglike-chemical-space-1912.05079"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/schr-odinger-ani-an-eight-element-neural-network-interaction-potential-with-greatly-expanded-coverage-of-druglike-chemical-space-1912.05079"/></url>
<url><loc>https://scifaro.com/en/abs/highly-accurate-prediction-of-core-spectra-of-molecules-at-density-functional-theory-cost-attaining-sub-ev-error-from-a-restricted-open-shell-kohn-sham-approach-1912.05249</loc><lastmod>2020-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-accurate-prediction-of-core-spectra-of-molecules-at-density-functional-theory-cost-attaining-sub-ev-error-from-a-restricted-open-shell-kohn-sham-approach-1912.05249"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-accurate-prediction-of-core-spectra-of-molecules-at-density-functional-theory-cost-attaining-sub-ev-error-from-a-restricted-open-shell-kohn-sham-approach-1912.05249"/></url>
<url><loc>https://scifaro.com/en/abs/interchromophoric-interactions-determine-the-maximum-brightness-density-in-dna-origami-structures-1912.05261</loc><lastmod>2019-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interchromophoric-interactions-determine-the-maximum-brightness-density-in-dna-origami-structures-1912.05261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interchromophoric-interactions-determine-the-maximum-brightness-density-in-dna-origami-structures-1912.05261"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-the-luminescence-of-mathrm-uo-2x-4-2-x-cl-br-complexes-in-organic-phase-using-time-resolved-laser-induced-fluorescence-spectroscopy-and-quantum-chemical-simulations-1912.05408</loc><lastmod>2020-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-the-luminescence-of-mathrm-uo-2x-4-2-x-cl-br-complexes-in-organic-phase-using-time-resolved-laser-induced-fluorescence-spectroscopy-and-quantum-chemical-simulations-1912.05408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-the-luminescence-of-mathrm-uo-2x-4-2-x-cl-br-complexes-in-organic-phase-using-time-resolved-laser-induced-fluorescence-spectroscopy-and-quantum-chemical-simulations-1912.05408"/></url>
<url><loc>https://scifaro.com/en/abs/applying-ann-anfis-and-lssvm-models-for-estimation-of-acid-solvent-solubility-in-supercritical-co-2-1912.05612</loc><lastmod>2019-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/applying-ann-anfis-and-lssvm-models-for-estimation-of-acid-solvent-solubility-in-supercritical-co-2-1912.05612"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/applying-ann-anfis-and-lssvm-models-for-estimation-of-acid-solvent-solubility-in-supercritical-co-2-1912.05612"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-generative-model-based-on-adversarially-regularized-autoencoder-1912.05617</loc><lastmod>2019-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-generative-model-based-on-adversarially-regularized-autoencoder-1912.05617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-generative-model-based-on-adversarially-regularized-autoencoder-1912.05617"/></url>
<url><loc>https://scifaro.com/en/abs/computational-study-of-transition-metal-substitutions-in-rutile-tio-2-110-for-photoelectrocatalytic-ammonia-synthesis-1912.05678</loc><lastmod>2019-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-study-of-transition-metal-substitutions-in-rutile-tio-2-110-for-photoelectrocatalytic-ammonia-synthesis-1912.05678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-study-of-transition-metal-substitutions-in-rutile-tio-2-110-for-photoelectrocatalytic-ammonia-synthesis-1912.05678"/></url>
<url><loc>https://scifaro.com/en/abs/plasmon-assisted-f-orster-resonance-energy-transfer-at-the-single-molecule-level-in-the-moderate-quenching-regime-1912.05882</loc><lastmod>2019-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/plasmon-assisted-f-orster-resonance-energy-transfer-at-the-single-molecule-level-in-the-moderate-quenching-regime-1912.05882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/plasmon-assisted-f-orster-resonance-energy-transfer-at-the-single-molecule-level-in-the-moderate-quenching-regime-1912.05882"/></url>
<url><loc>https://scifaro.com/en/abs/investigating-solvent-effects-on-the-magnetic-properties-of-molybdate-ions-moo-4-2-with-relativistic-embedding-1912.06192</loc><lastmod>2020-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigating-solvent-effects-on-the-magnetic-properties-of-molybdate-ions-moo-4-2-with-relativistic-embedding-1912.06192"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigating-solvent-effects-on-the-magnetic-properties-of-molybdate-ions-moo-4-2-with-relativistic-embedding-1912.06192"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-non-reversible-molecular-internal-conversion-using-the-time-dependent-variational-approach-with-sd2-ansatz-1912.06363</loc><lastmod>2020-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-non-reversible-molecular-internal-conversion-using-the-time-dependent-variational-approach-with-sd2-ansatz-1912.06363"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-non-reversible-molecular-internal-conversion-using-the-time-dependent-variational-approach-with-sd2-ansatz-1912.06363"/></url>
<url><loc>https://scifaro.com/en/abs/reversible-structural-transformations-in-supercooled-water-from-135-to-245-k-1912.06676</loc><lastmod>2020-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reversible-structural-transformations-in-supercooled-water-from-135-to-245-k-1912.06676"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reversible-structural-transformations-in-supercooled-water-from-135-to-245-k-1912.06676"/></url>
<url><loc>https://scifaro.com/en/abs/symmetrical-graph-neural-network-for-quantum-chemistry-with-dual-r-k-space-1912.07256</loc><lastmod>2020-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetrical-graph-neural-network-for-quantum-chemistry-with-dual-r-k-space-1912.07256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetrical-graph-neural-network-for-quantum-chemistry-with-dual-r-k-space-1912.07256"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-pathway-of-oxygen-evolution-on-pt-111-revealed-through-constant-fermi-level-molecular-dynamics-1912.07269</loc><lastmod>2019-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-pathway-of-oxygen-evolution-on-pt-111-revealed-through-constant-fermi-level-molecular-dynamics-1912.07269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-pathway-of-oxygen-evolution-on-pt-111-revealed-through-constant-fermi-level-molecular-dynamics-1912.07269"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-thermodynamic-derivation-of-nernst-relation-1912.07724</loc><lastmod>2019-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-thermodynamic-derivation-of-nernst-relation-1912.07724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-thermodynamic-derivation-of-nernst-relation-1912.07724"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-bond-by-newtonian-trajectories-in-the-h-2-ion-1912.07933</loc><lastmod>2019-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-bond-by-newtonian-trajectories-in-the-h-2-ion-1912.07933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-bond-by-newtonian-trajectories-in-the-h-2-ion-1912.07933"/></url>
<url><loc>https://scifaro.com/en/abs/an-alternative-approach-for-the-determination-of-mean-free-paths-of-electron-scattering-in-liquid-water-based-on-experimental-data-1912.08469</loc><lastmod>2020-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-alternative-approach-for-the-determination-of-mean-free-paths-of-electron-scattering-in-liquid-water-based-on-experimental-data-1912.08469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-alternative-approach-for-the-determination-of-mean-free-paths-of-electron-scattering-in-liquid-water-based-on-experimental-data-1912.08469"/></url>
<url><loc>https://scifaro.com/en/abs/genetic-algorithm-for-quick-finding-of-diatomic-molecule-potential-parameters-1912.08483</loc><lastmod>2020-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/genetic-algorithm-for-quick-finding-of-diatomic-molecule-potential-parameters-1912.08483"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/genetic-algorithm-for-quick-finding-of-diatomic-molecule-potential-parameters-1912.08483"/></url>
<url><loc>https://scifaro.com/en/abs/neural-networks-and-kernel-ridge-regression-for-excited-states-dynamics-of-ch-2-nh-2-from-single-state-to-multi-state-representations-and-multi-property-machine-learning-models-1912.08484</loc><lastmod>2021-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-networks-and-kernel-ridge-regression-for-excited-states-dynamics-of-ch-2-nh-2-from-single-state-to-multi-state-representations-and-multi-property-machine-learning-models-1912.08484"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-networks-and-kernel-ridge-regression-for-excited-states-dynamics-of-ch-2-nh-2-from-single-state-to-multi-state-representations-and-multi-property-machine-learning-models-1912.08484"/></url>
<url><loc>https://scifaro.com/en/abs/decoherence-in-molecular-electron-spin-qubits-insights-from-quantum-many-body-simulations-1912.08991</loc><lastmod>2019-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decoherence-in-molecular-electron-spin-qubits-insights-from-quantum-many-body-simulations-1912.08991"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decoherence-in-molecular-electron-spin-qubits-insights-from-quantum-many-body-simulations-1912.08991"/></url>
<url><loc>https://scifaro.com/en/abs/iypt-is-a-highly-polar-nonlinear-triatomic-molecule-1912.09031</loc><lastmod>2020-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/iypt-is-a-highly-polar-nonlinear-triatomic-molecule-1912.09031"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/iypt-is-a-highly-polar-nonlinear-triatomic-molecule-1912.09031"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-stability-of-time-dependent-coupled-cluster-methods-for-many-electron-dynamics-in-intense-laser-pulses-1912.09217</loc><lastmod>2020-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-stability-of-time-dependent-coupled-cluster-methods-for-many-electron-dynamics-in-intense-laser-pulses-1912.09217"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-stability-of-time-dependent-coupled-cluster-methods-for-many-electron-dynamics-in-intense-laser-pulses-1912.09217"/></url>
<url><loc>https://scifaro.com/en/abs/transition-path-dynamics-of-a-nanoparticle-in-a-bistable-optical-trap-1912.09314</loc><lastmod>2020-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-path-dynamics-of-a-nanoparticle-in-a-bistable-optical-trap-1912.09314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-path-dynamics-of-a-nanoparticle-in-a-bistable-optical-trap-1912.09314"/></url>
<url><loc>https://scifaro.com/en/abs/prospects-for-laser-cooling-of-polyatomic-molecules-with-increasing-complexity-1912.09364</loc><lastmod>2020-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prospects-for-laser-cooling-of-polyatomic-molecules-with-increasing-complexity-1912.09364"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prospects-for-laser-cooling-of-polyatomic-molecules-with-increasing-complexity-1912.09364"/></url>
<url><loc>https://scifaro.com/en/abs/interpreting-fluorescence-detected-2d-electronic-spectroscopy-1912.09471</loc><lastmod>2019-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpreting-fluorescence-detected-2d-electronic-spectroscopy-1912.09471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpreting-fluorescence-detected-2d-electronic-spectroscopy-1912.09471"/></url>
<url><loc>https://scifaro.com/en/abs/propagative-block-diagonalisation-diabatisation-of-dft-mrci-electronic-states-1912.09553</loc><lastmod>2019-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/propagative-block-diagonalisation-diabatisation-of-dft-mrci-electronic-states-1912.09553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/propagative-block-diagonalisation-diabatisation-of-dft-mrci-electronic-states-1912.09553"/></url>
<url><loc>https://scifaro.com/en/abs/photo-effect-on-ion-transport-in-mixed-cation-and-halide-perovskites-and-implications-for-photo-de-mixing-1912.09777</loc><lastmod>2019-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photo-effect-on-ion-transport-in-mixed-cation-and-halide-perovskites-and-implications-for-photo-de-mixing-1912.09777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photo-effect-on-ion-transport-in-mixed-cation-and-halide-perovskites-and-implications-for-photo-de-mixing-1912.09777"/></url>
<url><loc>https://scifaro.com/en/abs/revisiting-nuclear-tunnelling-in-the-aqueous-ferrous-ferric-electron-transfer-1912.09811</loc><lastmod>2020-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revisiting-nuclear-tunnelling-in-the-aqueous-ferrous-ferric-electron-transfer-1912.09811"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revisiting-nuclear-tunnelling-in-the-aqueous-ferrous-ferric-electron-transfer-1912.09811"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-optimal-control-theory-for-solvated-systems-1912.09941</loc><lastmod>2019-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-optimal-control-theory-for-solvated-systems-1912.09941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-optimal-control-theory-for-solvated-systems-1912.09941"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-water-desalination-with-intercalation-materials-1912.10355</loc><lastmod>2019-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-water-desalination-with-intercalation-materials-1912.10355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-water-desalination-with-intercalation-materials-1912.10355"/></url>
<url><loc>https://scifaro.com/en/abs/molybdenum-dichalcogenide-cathodes-for-aluminium-ion-batteries-1912.10607</loc><lastmod>2020-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molybdenum-dichalcogenide-cathodes-for-aluminium-ion-batteries-1912.10607"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molybdenum-dichalcogenide-cathodes-for-aluminium-ion-batteries-1912.10607"/></url>
<url><loc>https://scifaro.com/en/abs/measuring-transferability-issues-in-machine-learning-force-fields-the-example-of-gold-iron-interactions-with-linearized-potentials-1912.10761</loc><lastmod>2020-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-transferability-issues-in-machine-learning-force-fields-the-example-of-gold-iron-interactions-with-linearized-potentials-1912.10761"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-transferability-issues-in-machine-learning-force-fields-the-example-of-gold-iron-interactions-with-linearized-potentials-1912.10761"/></url>
<url><loc>https://scifaro.com/en/abs/self-consistent-range-separated-density-functional-theory-with-second-order-perturbative-correction-via-the-optimized-effective-potential-method-1912.10893</loc><lastmod>2019-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-consistent-range-separated-density-functional-theory-with-second-order-perturbative-correction-via-the-optimized-effective-potential-method-1912.10893"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-consistent-range-separated-density-functional-theory-with-second-order-perturbative-correction-via-the-optimized-effective-potential-method-1912.10893"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-spin-mapping-for-quantum-classical-dynamics-1912.10906</loc><lastmod>2020-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-spin-mapping-for-quantum-classical-dynamics-1912.10906"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-spin-mapping-for-quantum-classical-dynamics-1912.10906"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-marcus-theory-and-the-landauer-buttiker-approach-in-molecular-junctions-ii-a-self-consistent-born-approach-1912.11003</loc><lastmod>2020-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-marcus-theory-and-the-landauer-buttiker-approach-in-molecular-junctions-ii-a-self-consistent-born-approach-1912.11003"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-marcus-theory-and-the-landauer-buttiker-approach-in-molecular-junctions-ii-a-self-consistent-born-approach-1912.11003"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-cooling-at-electrolyte-electrolyte-junctions-1912.11007</loc><lastmod>2019-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-cooling-at-electrolyte-electrolyte-junctions-1912.11007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-cooling-at-electrolyte-electrolyte-junctions-1912.11007"/></url>
<url><loc>https://scifaro.com/en/abs/topological-studies-related-to-molecular-systems-formed-soon-after-the-big-bang-heh2-as-the-precursor-for-heh-1912.11076</loc><lastmod>2019-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topological-studies-related-to-molecular-systems-formed-soon-after-the-big-bang-heh2-as-the-precursor-for-heh-1912.11076"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topological-studies-related-to-molecular-systems-formed-soon-after-the-big-bang-heh2-as-the-precursor-for-heh-1912.11076"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-ion-and-water-transport-in-electron-conducting-membrane-pores-with-ph-dependent-chemical-charge-1912.11122</loc><lastmod>2019-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-ion-and-water-transport-in-electron-conducting-membrane-pores-with-ph-dependent-chemical-charge-1912.11122"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-ion-and-water-transport-in-electron-conducting-membrane-pores-with-ph-dependent-chemical-charge-1912.11122"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-ion-and-electron-transport-coupled-with-biochemical-conversions-in-an-electroactive-biofilm-1912.11127</loc><lastmod>2019-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-ion-and-electron-transport-coupled-with-biochemical-conversions-in-an-electroactive-biofilm-1912.11127"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-ion-and-electron-transport-coupled-with-biochemical-conversions-in-an-electroactive-biofilm-1912.11127"/></url>
<url><loc>https://scifaro.com/en/abs/non-boltzmann-vibrational-energy-distributions-and-coupling-to-dissociation-rate-1912.11428</loc><lastmod>2020-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-boltzmann-vibrational-energy-distributions-and-coupling-to-dissociation-rate-1912.11428"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-boltzmann-vibrational-energy-distributions-and-coupling-to-dissociation-rate-1912.11428"/></url>
<url><loc>https://scifaro.com/en/abs/deterministic-and-quasi-random-sampling-of-optimized-gaussian-mixture-distributions-for-vibronic-monte-carlo-1912.11594</loc><lastmod>2019-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deterministic-and-quasi-random-sampling-of-optimized-gaussian-mixture-distributions-for-vibronic-monte-carlo-1912.11594"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deterministic-and-quasi-random-sampling-of-optimized-gaussian-mixture-distributions-for-vibronic-monte-carlo-1912.11594"/></url>
<url><loc>https://scifaro.com/en/abs/an-analysis-of-isomorphic-rpmd-in-the-golden-rule-limit-1912.11834</loc><lastmod>2019-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-analysis-of-isomorphic-rpmd-in-the-golden-rule-limit-1912.11834"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-analysis-of-isomorphic-rpmd-in-the-golden-rule-limit-1912.11834"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-ultrafast-transient-polarization-spectroscopy-to-investigate-nonlinear-processes-and-dynamics-in-electronically-excited-molecules-on-the-femtosecond-time-scale-1912.12124</loc><lastmod>2020-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-ultrafast-transient-polarization-spectroscopy-to-investigate-nonlinear-processes-and-dynamics-in-electronically-excited-molecules-on-the-femtosecond-time-scale-1912.12124"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-ultrafast-transient-polarization-spectroscopy-to-investigate-nonlinear-processes-and-dynamics-in-electronically-excited-molecules-on-the-femtosecond-time-scale-1912.12124"/></url>
<url><loc>https://scifaro.com/en/abs/interpretable-embeddings-from-molecular-simulations-using-gaussian-mixture-variational-autoencoders-1912.12175</loc><lastmod>2019-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpretable-embeddings-from-molecular-simulations-using-gaussian-mixture-variational-autoencoders-1912.12175"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpretable-embeddings-from-molecular-simulations-using-gaussian-mixture-variational-autoencoders-1912.12175"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-dephasing-in-hydrogen-bonded-pyridine-water-mixtures-1912.12342</loc><lastmod>2020-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-dephasing-in-hydrogen-bonded-pyridine-water-mixtures-1912.12342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-dephasing-in-hydrogen-bonded-pyridine-water-mixtures-1912.12342"/></url>
<url><loc>https://scifaro.com/en/abs/mirror-symmetry-breaking-in-micelles-of-n-stearoyl-serine-enantiomers-1912.12517</loc><lastmod>2020-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mirror-symmetry-breaking-in-micelles-of-n-stearoyl-serine-enantiomers-1912.12517"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mirror-symmetry-breaking-in-micelles-of-n-stearoyl-serine-enantiomers-1912.12517"/></url>
<url><loc>https://scifaro.com/en/abs/supramolecular-physics-of-ambient-water-1912.12691</loc><lastmod>2021-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/supramolecular-physics-of-ambient-water-1912.12691"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/supramolecular-physics-of-ambient-water-1912.12691"/></url>
<url><loc>https://scifaro.com/en/abs/probing-ultracold-chemistry-using-ion-spectrometry-1912.12741</loc><lastmod>2020-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-ultracold-chemistry-using-ion-spectrometry-1912.12741"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-ultracold-chemistry-using-ion-spectrometry-1912.12741"/></url>
<url><loc>https://scifaro.com/en/abs/porous-carbon-nanowire-array-for-highly-sensitive-biocompatible-reproducible-surface-enhanced-raman-spectroscopy-1912.12848</loc><lastmod>2020-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/porous-carbon-nanowire-array-for-highly-sensitive-biocompatible-reproducible-surface-enhanced-raman-spectroscopy-1912.12848"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/porous-carbon-nanowire-array-for-highly-sensitive-biocompatible-reproducible-surface-enhanced-raman-spectroscopy-1912.12848"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-dynamics-of-excited-electronic-states-in-nitrobenzene-measured-by-ultrafast-transient-polarization-spectroscopy-1912.12902</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-dynamics-of-excited-electronic-states-in-nitrobenzene-measured-by-ultrafast-transient-polarization-spectroscopy-1912.12902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-dynamics-of-excited-electronic-states-in-nitrobenzene-measured-by-ultrafast-transient-polarization-spectroscopy-1912.12902"/></url>
<url><loc>https://scifaro.com/en/abs/intrinsic-calibration-of-molecular-alignment-using-rotational-echoes-1912.13095</loc><lastmod>2020-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrinsic-calibration-of-molecular-alignment-using-rotational-echoes-1912.13095"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrinsic-calibration-of-molecular-alignment-using-rotational-echoes-1912.13095"/></url>
<url><loc>https://scifaro.com/en/abs/absolute-numbering-of-asymptotic-vibrational-levels-of-diatomic-molecules-from-cold-physics-experiments-1912.13125</loc><lastmod>2020-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absolute-numbering-of-asymptotic-vibrational-levels-of-diatomic-molecules-from-cold-physics-experiments-1912.13125"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absolute-numbering-of-asymptotic-vibrational-levels-of-diatomic-molecules-from-cold-physics-experiments-1912.13125"/></url>
<url><loc>https://scifaro.com/en/abs/self-dispersion-of-two-natural-polysaccharides-for-granular-composites-2001.00039</loc><lastmod>2020-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-dispersion-of-two-natural-polysaccharides-for-granular-composites-2001.00039"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-dispersion-of-two-natural-polysaccharides-for-granular-composites-2001.00039"/></url>
<url><loc>https://scifaro.com/en/abs/27-text-al-nmr-chemical-shift-of-text-al-text-oh-4-from-first-principles-assessment-of-error-cancellation-in-nmr-chemical-shift-computations-in-chemically-distinct-reference-and-targeted-systems-2001.00107</loc><lastmod>2020-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/27-text-al-nmr-chemical-shift-of-text-al-text-oh-4-from-first-principles-assessment-of-error-cancellation-in-nmr-chemical-shift-computations-in-chemically-distinct-reference-and-targeted-systems-2001.00107"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/27-text-al-nmr-chemical-shift-of-text-al-text-oh-4-from-first-principles-assessment-of-error-cancellation-in-nmr-chemical-shift-computations-in-chemically-distinct-reference-and-targeted-systems-2001.00107"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-magnetic-properties-of-the-largest-single-molecule-magnets-2001.00247</loc><lastmod>2020-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-magnetic-properties-of-the-largest-single-molecule-magnets-2001.00247"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-magnetic-properties-of-the-largest-single-molecule-magnets-2001.00247"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-renormalized-quantum-master-equation-2001.00344</loc><lastmod>2020-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-renormalized-quantum-master-equation-2001.00344"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-renormalized-quantum-master-equation-2001.00344"/></url>
<url><loc>https://scifaro.com/en/abs/the-quest-for-highly-accurate-excitation-energies-a-computational-perspective-2001.00416</loc><lastmod>2020-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-quest-for-highly-accurate-excitation-energies-a-computational-perspective-2001.00416"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-quest-for-highly-accurate-excitation-energies-a-computational-perspective-2001.00416"/></url>
<url><loc>https://scifaro.com/en/abs/pariser-parr-pople-model-based-configuration-interaction-study-of-linear-optical-absorption-in-lower-symmetry-polycyclic-aromatic-hydrocarbon-molecules-2001.00793</loc><lastmod>2020-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pariser-parr-pople-model-based-configuration-interaction-study-of-linear-optical-absorption-in-lower-symmetry-polycyclic-aromatic-hydrocarbon-molecules-2001.00793"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pariser-parr-pople-model-based-configuration-interaction-study-of-linear-optical-absorption-in-lower-symmetry-polycyclic-aromatic-hydrocarbon-molecules-2001.00793"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemistry-simulations-of-dominant-products-in-lithium-sulfur-batteries-2001.01120</loc><lastmod>2022-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemistry-simulations-of-dominant-products-in-lithium-sulfur-batteries-2001.01120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemistry-simulations-of-dominant-products-in-lithium-sulfur-batteries-2001.01120"/></url>
<url><loc>https://scifaro.com/en/abs/ionic-liquids-of-ultralow-proton-activity-2001.01151</loc><lastmod>2020-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionic-liquids-of-ultralow-proton-activity-2001.01151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionic-liquids-of-ultralow-proton-activity-2001.01151"/></url>
<url><loc>https://scifaro.com/en/abs/two-section-reactor-model-for-autothermal-reforming-of-methane-to-synthesis-gas-2001.01282</loc><lastmod>2020-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-section-reactor-model-for-autothermal-reforming-of-methane-to-synthesis-gas-2001.01282"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-section-reactor-model-for-autothermal-reforming-of-methane-to-synthesis-gas-2001.01282"/></url>
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<url><loc>https://scifaro.com/en/abs/predicting-ligand-dissociation-energies-of-3d-coordination-complexes-with-auxiliary-field-quantum-monte-carlo-2001.07261</loc><lastmod>2020-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-ligand-dissociation-energies-of-3d-coordination-complexes-with-auxiliary-field-quantum-monte-carlo-2001.07261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-ligand-dissociation-energies-of-3d-coordination-complexes-with-auxiliary-field-quantum-monte-carlo-2001.07261"/></url>
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<url><loc>https://scifaro.com/en/abs/exploration-of-interlacing-and-avoided-crossings-in-a-manifold-of-potential-energy-curves-by-a-unitary-group-adapted-state-specific-multi-reference-perturbation-theory-uga-ssmrpt-2010.11471</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploration-of-interlacing-and-avoided-crossings-in-a-manifold-of-potential-energy-curves-by-a-unitary-group-adapted-state-specific-multi-reference-perturbation-theory-uga-ssmrpt-2010.11471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploration-of-interlacing-and-avoided-crossings-in-a-manifold-of-potential-energy-curves-by-a-unitary-group-adapted-state-specific-multi-reference-perturbation-theory-uga-ssmrpt-2010.11471"/></url>
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<url><loc>https://scifaro.com/en/abs/confirming-the-role-of-nuclear-tunnelling-in-aqueous-ferrous-ferric-electron-transfer-2010.11496</loc><lastmod>2020-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/confirming-the-role-of-nuclear-tunnelling-in-aqueous-ferrous-ferric-electron-transfer-2010.11496"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/confirming-the-role-of-nuclear-tunnelling-in-aqueous-ferrous-ferric-electron-transfer-2010.11496"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-in-qm-mm-molecular-dynamics-simulations-of-condensed-phase-systems-2010.11610</loc><lastmod>2021-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-in-qm-mm-molecular-dynamics-simulations-of-condensed-phase-systems-2010.11610"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-in-qm-mm-molecular-dynamics-simulations-of-condensed-phase-systems-2010.11610"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-heat-bath-configuration-interaction-2010.12123</loc><lastmod>2021-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-heat-bath-configuration-interaction-2010.12123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-heat-bath-configuration-interaction-2010.12123"/></url>
<url><loc>https://scifaro.com/en/abs/atomic-permutationally-invariant-polynomials-for-fitting-molecular-force-fields-2010.12200</loc><lastmod>2020-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomic-permutationally-invariant-polynomials-for-fitting-molecular-force-fields-2010.12200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomic-permutationally-invariant-polynomials-for-fitting-molecular-force-fields-2010.12200"/></url>
<url><loc>https://scifaro.com/en/abs/the-shape-of-full-configuration-interaction-to-come-2010.12304</loc><lastmod>2020-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-shape-of-full-configuration-interaction-to-come-2010.12304"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-shape-of-full-configuration-interaction-to-come-2010.12304"/></url>
<url><loc>https://scifaro.com/en/abs/regular-arrays-of-pt-clusters-on-alumina-a-new-superstructure-on-al-2-o-3-ni-3-al-111-2010.12357</loc><lastmod>2020-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/regular-arrays-of-pt-clusters-on-alumina-a-new-superstructure-on-al-2-o-3-ni-3-al-111-2010.12357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/regular-arrays-of-pt-clusters-on-alumina-a-new-superstructure-on-al-2-o-3-ni-3-al-111-2010.12357"/></url>
<url><loc>https://scifaro.com/en/abs/viscosity-of-macromolecules-with-complex-architecture-2010.13602</loc><lastmod>2020-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/viscosity-of-macromolecules-with-complex-architecture-2010.13602"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/viscosity-of-macromolecules-with-complex-architecture-2010.13602"/></url>
<url><loc>https://scifaro.com/en/abs/photoelectroanalytical-oxygen-detection-with-titanate-nanosheet-platinum-hybrids-immobilised-into-a-polymer-of-intrinsic-microporosity-2010.13613</loc><lastmod>2020-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoelectroanalytical-oxygen-detection-with-titanate-nanosheet-platinum-hybrids-immobilised-into-a-polymer-of-intrinsic-microporosity-2010.13613"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoelectroanalytical-oxygen-detection-with-titanate-nanosheet-platinum-hybrids-immobilised-into-a-polymer-of-intrinsic-microporosity-2010.13613"/></url>
<url><loc>https://scifaro.com/en/abs/infrared-spectra-of-neutral-polycyclic-aromatic-hydrocarbons-by-machine-learning-2010.13686</loc><lastmod>2021-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infrared-spectra-of-neutral-polycyclic-aromatic-hydrocarbons-by-machine-learning-2010.13686"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infrared-spectra-of-neutral-polycyclic-aromatic-hydrocarbons-by-machine-learning-2010.13686"/></url>
<url><loc>https://scifaro.com/en/abs/models-and-corrections-range-separation-for-electronic-interaction-lessons-from-density-functional-theory-2010.13776</loc><lastmod>2020-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/models-and-corrections-range-separation-for-electronic-interaction-lessons-from-density-functional-theory-2010.13776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/models-and-corrections-range-separation-for-electronic-interaction-lessons-from-density-functional-theory-2010.13776"/></url>
<url><loc>https://scifaro.com/en/abs/an-open-quantum-system-theory-for-polarizable-continuum-models-2010.13820</loc><lastmod>2020-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-open-quantum-system-theory-for-polarizable-continuum-models-2010.13820"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-open-quantum-system-theory-for-polarizable-continuum-models-2010.13820"/></url>
<url><loc>https://scifaro.com/en/abs/strong-chiral-dichroism-in-above-threshold-ionization-and-ionization-rates-from-locally-chiral-light-2010.14182</loc><lastmod>2021-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-chiral-dichroism-in-above-threshold-ionization-and-ionization-rates-from-locally-chiral-light-2010.14182"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-chiral-dichroism-in-above-threshold-ionization-and-ionization-rates-from-locally-chiral-light-2010.14182"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-gas-particle-partitioning-coefficients-of-atmospheric-molecules-with-machine-learning-2010.14207</loc><lastmod>2021-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-gas-particle-partitioning-coefficients-of-atmospheric-molecules-with-machine-learning-2010.14207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-gas-particle-partitioning-coefficients-of-atmospheric-molecules-with-machine-learning-2010.14207"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-state-changing-collisions-of-c-2-h-and-c-2-n-anions-with-he-under-interstellar-and-cold-ion-trap-conditions-a-computational-comparison-2010.14288</loc><lastmod>2020-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-state-changing-collisions-of-c-2-h-and-c-2-n-anions-with-he-under-interstellar-and-cold-ion-trap-conditions-a-computational-comparison-2010.14288"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-state-changing-collisions-of-c-2-h-and-c-2-n-anions-with-he-under-interstellar-and-cold-ion-trap-conditions-a-computational-comparison-2010.14288"/></url>
<url><loc>https://scifaro.com/en/abs/microcanonical-tunneling-rates-from-density-of-states-instanton-theory-2010.14309</loc><lastmod>2020-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microcanonical-tunneling-rates-from-density-of-states-instanton-theory-2010.14309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microcanonical-tunneling-rates-from-density-of-states-instanton-theory-2010.14309"/></url>
<url><loc>https://scifaro.com/en/abs/improved-description-of-atomic-environments-using-low-cost-polynomial-functions-with-compact-support-2010.14414</loc><lastmod>2021-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-description-of-atomic-environments-using-low-cost-polynomial-functions-with-compact-support-2010.14414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-description-of-atomic-environments-using-low-cost-polynomial-functions-with-compact-support-2010.14414"/></url>
<url><loc>https://scifaro.com/en/abs/generating-3d-molecular-structures-conditional-on-a-receptor-binding-site-with-deep-generative-models-2010.14442</loc><lastmod>2020-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generating-3d-molecular-structures-conditional-on-a-receptor-binding-site-with-deep-generative-models-2010.14442"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generating-3d-molecular-structures-conditional-on-a-receptor-binding-site-with-deep-generative-models-2010.14442"/></url>
<url><loc>https://scifaro.com/en/abs/development-and-application-of-qm-mm-methods-with-advanced-polarizable-potentials-2010.14723</loc><lastmod>2020-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-and-application-of-qm-mm-methods-with-advanced-polarizable-potentials-2010.14723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-and-application-of-qm-mm-methods-with-advanced-polarizable-potentials-2010.14723"/></url>
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<url><loc>https://scifaro.com/en/abs/electron-attachment-to-cytosine-the-role-of-water-2010.14888</loc><lastmod>2021-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-attachment-to-cytosine-the-role-of-water-2010.14888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-attachment-to-cytosine-the-role-of-water-2010.14888"/></url>
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<url><loc>https://scifaro.com/en/abs/transferability-of-machine-learning-potentials-protonated-water-neural-network-potential-applied-to-the-protonated-water-hexamer-2010.15177</loc><lastmod>2021-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transferability-of-machine-learning-potentials-protonated-water-neural-network-potential-applied-to-the-protonated-water-hexamer-2010.15177"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transferability-of-machine-learning-potentials-protonated-water-neural-network-potential-applied-to-the-protonated-water-hexamer-2010.15177"/></url>
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<url><loc>https://scifaro.com/en/abs/dynamical-theory-for-the-battery-s-electromotive-force-2010.16400</loc><lastmod>2021-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-theory-for-the-battery-s-electromotive-force-2010.16400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-theory-for-the-battery-s-electromotive-force-2010.16400"/></url>
<url><loc>https://scifaro.com/en/abs/on-sparse-identification-of-complex-dynamical-systems-a-study-on-discovering-influential-reactions-in-chemical-reaction-networks-2011.00053</loc><lastmod>2020-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-sparse-identification-of-complex-dynamical-systems-a-study-on-discovering-influential-reactions-in-chemical-reaction-networks-2011.00053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-sparse-identification-of-complex-dynamical-systems-a-study-on-discovering-influential-reactions-in-chemical-reaction-networks-2011.00053"/></url>
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<url><loc>https://scifaro.com/en/abs/a-reformulation-of-time-dependent-kohn-sham-theory-in-terms-of-the-second-time-derivative-of-the-density-2012.04953</loc><lastmod>2021-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-reformulation-of-time-dependent-kohn-sham-theory-in-terms-of-the-second-time-derivative-of-the-density-2012.04953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-reformulation-of-time-dependent-kohn-sham-theory-in-terms-of-the-second-time-derivative-of-the-density-2012.04953"/></url>
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<url><loc>https://scifaro.com/en/abs/the-spatial-collection-efficiency-of-photogenerated-charge-carriers-in-photovoltaic-and-photoelectrochemical-devices-2012.05080</loc><lastmod>2020-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-spatial-collection-efficiency-of-photogenerated-charge-carriers-in-photovoltaic-and-photoelectrochemical-devices-2012.05080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-spatial-collection-efficiency-of-photogenerated-charge-carriers-in-photovoltaic-and-photoelectrochemical-devices-2012.05080"/></url>
<url><loc>https://scifaro.com/en/abs/empirical-analysis-of-the-photoelectrochemical-impedance-response-of-hematite-photoanodes-for-water-photo-oxidation-2012.05081</loc><lastmod>2020-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/empirical-analysis-of-the-photoelectrochemical-impedance-response-of-hematite-photoanodes-for-water-photo-oxidation-2012.05081"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/empirical-analysis-of-the-photoelectrochemical-impedance-response-of-hematite-photoanodes-for-water-photo-oxidation-2012.05081"/></url>
<url><loc>https://scifaro.com/en/abs/isotope-effects-on-molecular-structures-and-electronic-properties-of-liquid-water-via-deep-potential-molecular-dynamics-based-on-scan-functional-2012.05226</loc><lastmod>2020-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isotope-effects-on-molecular-structures-and-electronic-properties-of-liquid-water-via-deep-potential-molecular-dynamics-based-on-scan-functional-2012.05226"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isotope-effects-on-molecular-structures-and-electronic-properties-of-liquid-water-via-deep-potential-molecular-dynamics-based-on-scan-functional-2012.05226"/></url>
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<url><loc>https://scifaro.com/en/abs/combining-multilevel-hartree-fock-and-multilevel-coupled-cluster-with-molecular-mechanics-a-study-of-electronic-excitations-in-solutions-2012.05583</loc><lastmod>2020-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-multilevel-hartree-fock-and-multilevel-coupled-cluster-with-molecular-mechanics-a-study-of-electronic-excitations-in-solutions-2012.05583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-multilevel-hartree-fock-and-multilevel-coupled-cluster-with-molecular-mechanics-a-study-of-electronic-excitations-in-solutions-2012.05583"/></url>
<url><loc>https://scifaro.com/en/abs/different-roles-of-fe1-xnixooh-co-catalyst-on-hematite-alpha-fe2o3-photoanodes-with-different-dopants-2012.05801</loc><lastmod>2020-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/different-roles-of-fe1-xnixooh-co-catalyst-on-hematite-alpha-fe2o3-photoanodes-with-different-dopants-2012.05801"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/different-roles-of-fe1-xnixooh-co-catalyst-on-hematite-alpha-fe2o3-photoanodes-with-different-dopants-2012.05801"/></url>
<url><loc>https://scifaro.com/en/abs/the-rust-challenge-on-the-correlations-between-electronic-structure-excited-state-dynamics-and-photoelectrochemical-performance-of-hematite-photoanodes-for-solar-water-splitting-2012.05803</loc><lastmod>2020-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-rust-challenge-on-the-correlations-between-electronic-structure-excited-state-dynamics-and-photoelectrochemical-performance-of-hematite-photoanodes-for-solar-water-splitting-2012.05803"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-rust-challenge-on-the-correlations-between-electronic-structure-excited-state-dynamics-and-photoelectrochemical-performance-of-hematite-photoanodes-for-solar-water-splitting-2012.05803"/></url>
<url><loc>https://scifaro.com/en/abs/defect-segregation-and-its-effect-on-the-photoelectrochemical-properties-of-ti-doped-hematite-photoanodes-for-solar-water-splitting-2012.05805</loc><lastmod>2020-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/defect-segregation-and-its-effect-on-the-photoelectrochemical-properties-of-ti-doped-hematite-photoanodes-for-solar-water-splitting-2012.05805"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/defect-segregation-and-its-effect-on-the-photoelectrochemical-properties-of-ti-doped-hematite-photoanodes-for-solar-water-splitting-2012.05805"/></url>
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<url><loc>https://scifaro.com/en/abs/local-embedding-of-coupled-cluster-theory-into-the-random-phase-approximation-using-plane-waves-2012.06165</loc><lastmod>2021-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-embedding-of-coupled-cluster-theory-into-the-random-phase-approximation-using-plane-waves-2012.06165"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-embedding-of-coupled-cluster-theory-into-the-random-phase-approximation-using-plane-waves-2012.06165"/></url>
<url><loc>https://scifaro.com/en/abs/low-scaling-gw-with-benchmark-accuracy-and-application-to-phosphorene-nanosheets-2012.06321</loc><lastmod>2021-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-scaling-gw-with-benchmark-accuracy-and-application-to-phosphorene-nanosheets-2012.06321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-scaling-gw-with-benchmark-accuracy-and-application-to-phosphorene-nanosheets-2012.06321"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-excited-states-of-benzene-in-interaction-with-water-clusters-influence-of-structure-and-size-2012.06612</loc><lastmod>2021-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-excited-states-of-benzene-in-interaction-with-water-clusters-influence-of-structure-and-size-2012.06612"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-excited-states-of-benzene-in-interaction-with-water-clusters-influence-of-structure-and-size-2012.06612"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-implementation-of-the-single-reference-algebraic-diagrammatic-construction-theory-for-charged-excitations-applications-to-the-tempo-radical-and-dna-base-pairs-2012.06714</loc><lastmod>2021-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-implementation-of-the-single-reference-algebraic-diagrammatic-construction-theory-for-charged-excitations-applications-to-the-tempo-radical-and-dna-base-pairs-2012.06714"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-implementation-of-the-single-reference-algebraic-diagrammatic-construction-theory-for-charged-excitations-applications-to-the-tempo-radical-and-dna-base-pairs-2012.06714"/></url>
<url><loc>https://scifaro.com/en/abs/the-structure-of-1-3-butadiene-clusters-2012.06844</loc><lastmod>2020-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-structure-of-1-3-butadiene-clusters-2012.06844"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-structure-of-1-3-butadiene-clusters-2012.06844"/></url>
<url><loc>https://scifaro.com/en/abs/using-restricted-boltzmann-machines-to-model-molecular-geometries-2012.06984</loc><lastmod>2020-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-restricted-boltzmann-machines-to-model-molecular-geometries-2012.06984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-restricted-boltzmann-machines-to-model-molecular-geometries-2012.06984"/></url>
<url><loc>https://scifaro.com/en/abs/site-specific-interrogation-of-an-ionic-chiral-fragment-during-photolysis-using-an-x-ray-free-electron-laser-2012.07100</loc><lastmod>2021-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/site-specific-interrogation-of-an-ionic-chiral-fragment-during-photolysis-using-an-x-ray-free-electron-laser-2012.07100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/site-specific-interrogation-of-an-ionic-chiral-fragment-during-photolysis-using-an-x-ray-free-electron-laser-2012.07100"/></url>
<url><loc>https://scifaro.com/en/abs/incremental-treatments-of-the-full-configuration-interaction-problem-2012.07371</loc><lastmod>2021-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/incremental-treatments-of-the-full-configuration-interaction-problem-2012.07371"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/incremental-treatments-of-the-full-configuration-interaction-problem-2012.07371"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-machine-learning-in-chemical-compound-space-2012.07502</loc><lastmod>2021-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-machine-learning-in-chemical-compound-space-2012.07502"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-machine-learning-in-chemical-compound-space-2012.07502"/></url>
<url><loc>https://scifaro.com/en/abs/electric-quadrupole-and-magnetic-dipole-contributions-to-the-n2-n3-band-of-carbon-dioxide-near-3-3-micron-2012.07518</loc><lastmod>2022-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electric-quadrupole-and-magnetic-dipole-contributions-to-the-n2-n3-band-of-carbon-dioxide-near-3-3-micron-2012.07518"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electric-quadrupole-and-magnetic-dipole-contributions-to-the-n2-n3-band-of-carbon-dioxide-near-3-3-micron-2012.07518"/></url>
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<url><loc>https://scifaro.com/en/abs/the-role-of-intermolecular-interactions-in-stabilizing-the-structure-of-the-nematic-twist-bend-phase-2012.07702</loc><lastmod>2021-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-intermolecular-interactions-in-stabilizing-the-structure-of-the-nematic-twist-bend-phase-2012.07702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-intermolecular-interactions-in-stabilizing-the-structure-of-the-nematic-twist-bend-phase-2012.07702"/></url>
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<url><loc>https://scifaro.com/en/abs/asymmetric-supercapacitors-optical-and-thermal-effects-when-active-carbon-electrodes-are-embedded-with-nano-scale-semiconductor-dots-2012.08617</loc><lastmod>2020-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymmetric-supercapacitors-optical-and-thermal-effects-when-active-carbon-electrodes-are-embedded-with-nano-scale-semiconductor-dots-2012.08617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymmetric-supercapacitors-optical-and-thermal-effects-when-active-carbon-electrodes-are-embedded-with-nano-scale-semiconductor-dots-2012.08617"/></url>
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<url><loc>https://scifaro.com/en/abs/anti-alignment-driven-dynamics-in-the-excited-states-of-molecules-under-strong-fields-2012.11316</loc><lastmod>2021-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anti-alignment-driven-dynamics-in-the-excited-states-of-molecules-under-strong-fields-2012.11316"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anti-alignment-driven-dynamics-in-the-excited-states-of-molecules-under-strong-fields-2012.11316"/></url>
<url><loc>https://scifaro.com/en/abs/the-hopping-mechanism-of-the-hydrated-excess-proton-and-its-contribution-to-proton-diffusion-in-water-2012.11650</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-hopping-mechanism-of-the-hydrated-excess-proton-and-its-contribution-to-proton-diffusion-in-water-2012.11650"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-hopping-mechanism-of-the-hydrated-excess-proton-and-its-contribution-to-proton-diffusion-in-water-2012.11650"/></url>
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<url><loc>https://scifaro.com/en/abs/environmentally-improved-coherent-light-harvesting-2012.11864</loc><lastmod>2021-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/environmentally-improved-coherent-light-harvesting-2012.11864"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/environmentally-improved-coherent-light-harvesting-2012.11864"/></url>
<url><loc>https://scifaro.com/en/abs/surface-and-zeta-potentials-of-charged-permeable-nanocoatings-2012.12016</loc><lastmod>2021-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-and-zeta-potentials-of-charged-permeable-nanocoatings-2012.12016"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-and-zeta-potentials-of-charged-permeable-nanocoatings-2012.12016"/></url>
<url><loc>https://scifaro.com/en/abs/robust-all-electron-optimization-in-orbital-free-density-functional-theory-using-the-trust-region-image-method-2012.12068</loc><lastmod>2021-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-all-electron-optimization-in-orbital-free-density-functional-theory-using-the-trust-region-image-method-2012.12068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-all-electron-optimization-in-orbital-free-density-functional-theory-using-the-trust-region-image-method-2012.12068"/></url>
<url><loc>https://scifaro.com/en/abs/cosmology-astrobiology-and-the-rna-world-just-add-quintessential-water-2012.12079</loc><lastmod>2021-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cosmology-astrobiology-and-the-rna-world-just-add-quintessential-water-2012.12079"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cosmology-astrobiology-and-the-rna-world-just-add-quintessential-water-2012.12079"/></url>
<url><loc>https://scifaro.com/en/abs/microwave-sintering-of-alumina-at-915-mhz-modeling-process-control-and-microstructure-distribution-2012.12090</loc><lastmod>2020-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microwave-sintering-of-alumina-at-915-mhz-modeling-process-control-and-microstructure-distribution-2012.12090"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microwave-sintering-of-alumina-at-915-mhz-modeling-process-control-and-microstructure-distribution-2012.12090"/></url>
<url><loc>https://scifaro.com/en/abs/planning-of-measurement-series-for-thermodynamic-properties-based-on-optimal-experimental-design-2012.12098</loc><lastmod>2021-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/planning-of-measurement-series-for-thermodynamic-properties-based-on-optimal-experimental-design-2012.12098"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/planning-of-measurement-series-for-thermodynamic-properties-based-on-optimal-experimental-design-2012.12098"/></url>
<url><loc>https://scifaro.com/en/abs/torchmd-a-deep-learning-framework-for-molecular-simulations-2012.12106</loc><lastmod>2021-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/torchmd-a-deep-learning-framework-for-molecular-simulations-2012.12106"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/torchmd-a-deep-learning-framework-for-molecular-simulations-2012.12106"/></url>
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<url><loc>https://scifaro.com/en/abs/on-symmetry-and-the-reality-of-holomorphic-hartree-fock-wavefunctions-2012.12157</loc><lastmod>2022-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-symmetry-and-the-reality-of-holomorphic-hartree-fock-wavefunctions-2012.12157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-symmetry-and-the-reality-of-holomorphic-hartree-fock-wavefunctions-2012.12157"/></url>
<url><loc>https://scifaro.com/en/abs/derivation-of-an-extended-bjerrum-equation-for-the-activity-coefficient-of-ions-based-on-an-analysis-of-coulombic-forces-2012.12194</loc><lastmod>2024-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/derivation-of-an-extended-bjerrum-equation-for-the-activity-coefficient-of-ions-based-on-an-analysis-of-coulombic-forces-2012.12194"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/derivation-of-an-extended-bjerrum-equation-for-the-activity-coefficient-of-ions-based-on-an-analysis-of-coulombic-forces-2012.12194"/></url>
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<url><loc>https://scifaro.com/en/abs/inverse-classical-scattering-using-fractional-derivative-2012.12342</loc><lastmod>2020-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inverse-classical-scattering-using-fractional-derivative-2012.12342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inverse-classical-scattering-using-fractional-derivative-2012.12342"/></url>
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<url><loc>https://scifaro.com/en/abs/localised-spin-rotations-a-size-consistent-approach-to-non-orthogonal-configuration-interaction-2012.12776</loc><lastmod>2021-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/localised-spin-rotations-a-size-consistent-approach-to-non-orthogonal-configuration-interaction-2012.12776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/localised-spin-rotations-a-size-consistent-approach-to-non-orthogonal-configuration-interaction-2012.12776"/></url>
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<url><loc>https://scifaro.com/en/abs/self-interaction-correction-in-water-ion-clusters-2012.13469</loc><lastmod>2021-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-interaction-correction-in-water-ion-clusters-2012.13469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-interaction-correction-in-water-ion-clusters-2012.13469"/></url>
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<url><loc>https://scifaro.com/en/abs/identifying-reaction-pathways-in-phase-space-via-asymptotic-trajectories-2101.01646</loc><lastmod>2021-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identifying-reaction-pathways-in-phase-space-via-asymptotic-trajectories-2101.01646"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identifying-reaction-pathways-in-phase-space-via-asymptotic-trajectories-2101.01646"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-essential-nature-of-the-hydrated-excess-proton-through-simulation-and-interpretation-of-recent-spectroscopic-experiments-2101.01782</loc><lastmod>2021-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-essential-nature-of-the-hydrated-excess-proton-through-simulation-and-interpretation-of-recent-spectroscopic-experiments-2101.01782"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-essential-nature-of-the-hydrated-excess-proton-through-simulation-and-interpretation-of-recent-spectroscopic-experiments-2101.01782"/></url>
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<url><loc>https://scifaro.com/en/abs/optically-facet-resolved-reaction-anisotropy-in-two-dimensional-transition-metal-dichalcogenides-2101.02376</loc><lastmod>2021-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optically-facet-resolved-reaction-anisotropy-in-two-dimensional-transition-metal-dichalcogenides-2101.02376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optically-facet-resolved-reaction-anisotropy-in-two-dimensional-transition-metal-dichalcogenides-2101.02376"/></url>
<url><loc>https://scifaro.com/en/abs/nanotechnology-for-biosensors-a-review-2101.02430</loc><lastmod>2021-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanotechnology-for-biosensors-a-review-2101.02430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanotechnology-for-biosensors-a-review-2101.02430"/></url>
<url><loc>https://scifaro.com/en/abs/hartree-fock-critical-nuclear-charge-in-two-electron-atoms-2101.02445</loc><lastmod>2021-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hartree-fock-critical-nuclear-charge-in-two-electron-atoms-2101.02445"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hartree-fock-critical-nuclear-charge-in-two-electron-atoms-2101.02445"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-and-enhancing-the-accuracy-of-interior-scaled-perdew-zunger-self-interaction-correction-2101.02743</loc><lastmod>2021-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-and-enhancing-the-accuracy-of-interior-scaled-perdew-zunger-self-interaction-correction-2101.02743"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-and-enhancing-the-accuracy-of-interior-scaled-perdew-zunger-self-interaction-correction-2101.02743"/></url>
<url><loc>https://scifaro.com/en/abs/simulations-of-water-and-hydrophobic-hydration-using-a-neural-network-potential-2101.02754</loc><lastmod>2021-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulations-of-water-and-hydrophobic-hydration-using-a-neural-network-potential-2101.02754"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulations-of-water-and-hydrophobic-hydration-using-a-neural-network-potential-2101.02754"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-vibronic-spectra-without-born-oppenheimer-surfaces-2101.03007</loc><lastmod>2024-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-vibronic-spectra-without-born-oppenheimer-surfaces-2101.03007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-vibronic-spectra-without-born-oppenheimer-surfaces-2101.03007"/></url>
<url><loc>https://scifaro.com/en/abs/chirality-induced-spin-coherence-in-electron-transfer-reactions-2101.03104</loc><lastmod>2021-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chirality-induced-spin-coherence-in-electron-transfer-reactions-2101.03104"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chirality-induced-spin-coherence-in-electron-transfer-reactions-2101.03104"/></url>
<url><loc>https://scifaro.com/en/abs/achieving-an-order-of-magnitude-speed-up-in-hybrid-functional-and-plane-wave-based-ab-initio-molecular-dynamics-applications-to-proton-transfer-reactions-in-enzymes-and-in-solution-2101.03155</loc><lastmod>2021-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/achieving-an-order-of-magnitude-speed-up-in-hybrid-functional-and-plane-wave-based-ab-initio-molecular-dynamics-applications-to-proton-transfer-reactions-in-enzymes-and-in-solution-2101.03155"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/achieving-an-order-of-magnitude-speed-up-in-hybrid-functional-and-plane-wave-based-ab-initio-molecular-dynamics-applications-to-proton-transfer-reactions-in-enzymes-and-in-solution-2101.03155"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-route-for-enantio-sensitive-structure-determination-by-photoelectron-scattering-on-molecules-in-the-gas-phase-2101.03375</loc><lastmod>2023-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-route-for-enantio-sensitive-structure-determination-by-photoelectron-scattering-on-molecules-in-the-gas-phase-2101.03375"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-route-for-enantio-sensitive-structure-determination-by-photoelectron-scattering-on-molecules-in-the-gas-phase-2101.03375"/></url>
<url><loc>https://scifaro.com/en/abs/transformative-applications-of-machine-learning-for-chemical-reactions-2101.03530</loc><lastmod>2021-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transformative-applications-of-machine-learning-for-chemical-reactions-2101.03530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transformative-applications-of-machine-learning-for-chemical-reactions-2101.03530"/></url>
<url><loc>https://scifaro.com/en/abs/damped-linear-response-theory-within-the-resolution-of-identity-coupled-cluster-singles-and-approximate-doubles-ri-cc2-method-2101.03756</loc><lastmod>2022-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/damped-linear-response-theory-within-the-resolution-of-identity-coupled-cluster-singles-and-approximate-doubles-ri-cc2-method-2101.03756"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/damped-linear-response-theory-within-the-resolution-of-identity-coupled-cluster-singles-and-approximate-doubles-ri-cc2-method-2101.03756"/></url>
<url><loc>https://scifaro.com/en/abs/rainbow-scattering-in-rotationally-inelastic-collisions-of-hcl-and-h-2-2101.03796</loc><lastmod>2021-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rainbow-scattering-in-rotationally-inelastic-collisions-of-hcl-and-h-2-2101.03796"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rainbow-scattering-in-rotationally-inelastic-collisions-of-hcl-and-h-2-2101.03796"/></url>
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<url><loc>https://scifaro.com/en/abs/physics-inspired-structural-representations-for-molecules-and-materials-2101.04673</loc><lastmod>2021-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physics-inspired-structural-representations-for-molecules-and-materials-2101.04673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physics-inspired-structural-representations-for-molecules-and-materials-2101.04673"/></url>
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<url><loc>https://scifaro.com/en/abs/adaptive-variational-quantum-imaginary-time-evolution-approach-for-ground-state-preparation-2102.01544</loc><lastmod>2021-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adaptive-variational-quantum-imaginary-time-evolution-approach-for-ground-state-preparation-2102.01544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adaptive-variational-quantum-imaginary-time-evolution-approach-for-ground-state-preparation-2102.01544"/></url>
<url><loc>https://scifaro.com/en/abs/champion-chalmers-hierarchical-atomic-molecular-polymeric-ionic-analysis-toolkit-2102.01768</loc><lastmod>2021-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/champion-chalmers-hierarchical-atomic-molecular-polymeric-ionic-analysis-toolkit-2102.01768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/champion-chalmers-hierarchical-atomic-molecular-polymeric-ionic-analysis-toolkit-2102.01768"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-predictive-power-of-chemical-concepts-2102.01945</loc><lastmod>2021-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-predictive-power-of-chemical-concepts-2102.01945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-predictive-power-of-chemical-concepts-2102.01945"/></url>
<url><loc>https://scifaro.com/en/abs/inhibition-of-steel-corrosion-with-imidazolium-based-compounds-experimental-and-theoretical-study-2102.02006</loc><lastmod>2021-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inhibition-of-steel-corrosion-with-imidazolium-based-compounds-experimental-and-theoretical-study-2102.02006"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inhibition-of-steel-corrosion-with-imidazolium-based-compounds-experimental-and-theoretical-study-2102.02006"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-vibronic-relaxation-in-fluorescence-resonance-energy-transfer-an-exact-analytical-solution-2102.02200</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-vibronic-relaxation-in-fluorescence-resonance-energy-transfer-an-exact-analytical-solution-2102.02200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-vibronic-relaxation-in-fluorescence-resonance-energy-transfer-an-exact-analytical-solution-2102.02200"/></url>
<url><loc>https://scifaro.com/en/abs/nenci-2021-part-i-a-large-benchmark-database-of-non-equilibrium-non-covalent-interactions-emphasizing-close-intermolecular-contacts-2102.02354</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nenci-2021-part-i-a-large-benchmark-database-of-non-equilibrium-non-covalent-interactions-emphasizing-close-intermolecular-contacts-2102.02354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nenci-2021-part-i-a-large-benchmark-database-of-non-equilibrium-non-covalent-interactions-emphasizing-close-intermolecular-contacts-2102.02354"/></url>
<url><loc>https://scifaro.com/en/abs/a-universal-framework-for-featurization-of-atomistic-systems-2102.02390</loc><lastmod>2022-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-universal-framework-for-featurization-of-atomistic-systems-2102.02390"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-universal-framework-for-featurization-of-atomistic-systems-2102.02390"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-and-simulating-the-excited-state-dynamics-of-a-system-with-condensed-phases-a-machine-learning-approach-2102.02427</loc><lastmod>2021-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-and-simulating-the-excited-state-dynamics-of-a-system-with-condensed-phases-a-machine-learning-approach-2102.02427"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-and-simulating-the-excited-state-dynamics-of-a-system-with-condensed-phases-a-machine-learning-approach-2102.02427"/></url>
<url><loc>https://scifaro.com/en/abs/neural-network-potential-energy-surface-for-the-low-temperature-ring-polymer-molecular-dynamics-of-the-h2co-oh-reaction-2102.02682</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-network-potential-energy-surface-for-the-low-temperature-ring-polymer-molecular-dynamics-of-the-h2co-oh-reaction-2102.02682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-network-potential-energy-surface-for-the-low-temperature-ring-polymer-molecular-dynamics-of-the-h2co-oh-reaction-2102.02682"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-based-energy-free-structure-predictions-of-molecules-closed-and-open-shell-transition-states-and-solids-2102.02806</loc><lastmod>2021-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-based-energy-free-structure-predictions-of-molecules-closed-and-open-shell-transition-states-and-solids-2102.02806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-based-energy-free-structure-predictions-of-molecules-closed-and-open-shell-transition-states-and-solids-2102.02806"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-the-performance-of-density-functionals-for-predicting-potential-energy-curves-in-hydrogen-storage-applications-2102.02836</loc><lastmod>2021-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-the-performance-of-density-functionals-for-predicting-potential-energy-curves-in-hydrogen-storage-applications-2102.02836"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-the-performance-of-density-functionals-for-predicting-potential-energy-curves-in-hydrogen-storage-applications-2102.02836"/></url>
<url><loc>https://scifaro.com/en/abs/fast-periodic-gaussian-density-fitting-by-range-separation-2102.02989</loc><lastmod>2021-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-periodic-gaussian-density-fitting-by-range-separation-2102.02989"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-periodic-gaussian-density-fitting-by-range-separation-2102.02989"/></url>
<url><loc>https://scifaro.com/en/abs/study-on-the-simulation-control-of-neural-network-algorithm-in-thermally-coupled-distillation-2102.03506</loc><lastmod>2021-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-on-the-simulation-control-of-neural-network-algorithm-in-thermally-coupled-distillation-2102.03506"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-on-the-simulation-control-of-neural-network-algorithm-in-thermally-coupled-distillation-2102.03506"/></url>
<url><loc>https://scifaro.com/en/abs/non-parametric-analysis-of-non-equilibrium-simulations-2102.03950</loc><lastmod>2021-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-parametric-analysis-of-non-equilibrium-simulations-2102.03950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-parametric-analysis-of-non-equilibrium-simulations-2102.03950"/></url>
<url><loc>https://scifaro.com/en/abs/high-performance-nanofluidic-osmotic-power-generation-enabled-by-exterior-surface-charges-under-the-natural-salt-gradient-2102.04158</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-performance-nanofluidic-osmotic-power-generation-enabled-by-exterior-surface-charges-under-the-natural-salt-gradient-2102.04158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-performance-nanofluidic-osmotic-power-generation-enabled-by-exterior-surface-charges-under-the-natural-salt-gradient-2102.04158"/></url>
<url><loc>https://scifaro.com/en/abs/learning-the-exchange-correlation-functional-from-nature-with-fully-differentiable-density-functional-theory-2102.04229</loc><lastmod>2021-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-the-exchange-correlation-functional-from-nature-with-fully-differentiable-density-functional-theory-2102.04229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-the-exchange-correlation-functional-from-nature-with-fully-differentiable-density-functional-theory-2102.04229"/></url>
<url><loc>https://scifaro.com/en/abs/lifshitz-theory-of-wetting-films-at-three-phase-coexistence-the-case-of-ice-nucleation-on-silver-iodide-agi-2102.04416</loc><lastmod>2021-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lifshitz-theory-of-wetting-films-at-three-phase-coexistence-the-case-of-ice-nucleation-on-silver-iodide-agi-2102.04416"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lifshitz-theory-of-wetting-films-at-three-phase-coexistence-the-case-of-ice-nucleation-on-silver-iodide-agi-2102.04416"/></url>
<url><loc>https://scifaro.com/en/abs/graph-energy-based-model-for-substructure-preserving-molecular-design-2102.04600</loc><lastmod>2021-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graph-energy-based-model-for-substructure-preserving-molecular-design-2102.04600"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graph-energy-based-model-for-substructure-preserving-molecular-design-2102.04600"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-theory-of-charge-transport-and-entropic-effects-in-solvated-molecular-junctions-2102.04637</loc><lastmod>2021-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-theory-of-charge-transport-and-entropic-effects-in-solvated-molecular-junctions-2102.04637"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-theory-of-charge-transport-and-entropic-effects-in-solvated-molecular-junctions-2102.04637"/></url>
<url><loc>https://scifaro.com/en/abs/towards-photoassociation-processes-of-ultracold-rubidium-trimers-2102.04779</loc><lastmod>2021-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-photoassociation-processes-of-ultracold-rubidium-trimers-2102.04779"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-photoassociation-processes-of-ultracold-rubidium-trimers-2102.04779"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-heat-generation-and-fluid-flow-in-plasmon-enhanced-reduction-oxidation-reactions-2102.04783</loc><lastmod>2023-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-heat-generation-and-fluid-flow-in-plasmon-enhanced-reduction-oxidation-reactions-2102.04783"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-heat-generation-and-fluid-flow-in-plasmon-enhanced-reduction-oxidation-reactions-2102.04783"/></url>
<url><loc>https://scifaro.com/en/abs/the-phase-diagram-of-a-deep-potential-water-model-2102.04804</loc><lastmod>2021-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-phase-diagram-of-a-deep-potential-water-model-2102.04804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-phase-diagram-of-a-deep-potential-water-model-2102.04804"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-avenues-beyond-revised-dsd-functionals-i-range-separation-with-xdsd-as-a-special-case-2102.04913</loc><lastmod>2021-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-avenues-beyond-revised-dsd-functionals-i-range-separation-with-xdsd-as-a-special-case-2102.04913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-avenues-beyond-revised-dsd-functionals-i-range-separation-with-xdsd-as-a-special-case-2102.04913"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-avenues-beyond-revised-dsd-functionals-ii-random-phase-approximation-and-scaled-mp3-corrections-2102.04943</loc><lastmod>2021-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-avenues-beyond-revised-dsd-functionals-ii-random-phase-approximation-and-scaled-mp3-corrections-2102.04943"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-avenues-beyond-revised-dsd-functionals-ii-random-phase-approximation-and-scaled-mp3-corrections-2102.04943"/></url>
<url><loc>https://scifaro.com/en/abs/a-grid-free-approach-for-simulating-sweep-and-cyclic-voltammetry-2102.05030</loc><lastmod>2021-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-grid-free-approach-for-simulating-sweep-and-cyclic-voltammetry-2102.05030"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-grid-free-approach-for-simulating-sweep-and-cyclic-voltammetry-2102.05030"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-mechanical-study-of-the-attosecond-nonlinear-fourier-transform-spectroscopy-of-carbon-dioxide-2102.05136</loc><lastmod>2021-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-mechanical-study-of-the-attosecond-nonlinear-fourier-transform-spectroscopy-of-carbon-dioxide-2102.05136"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-mechanical-study-of-the-attosecond-nonlinear-fourier-transform-spectroscopy-of-carbon-dioxide-2102.05136"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-spin-state-selectivity-and-magnetic-tuning-of-ultracold-chemical-reactions-of-triplet-alkali-metal-dimers-with-alkali-metal-atoms-2102.05707</loc><lastmod>2021-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-spin-state-selectivity-and-magnetic-tuning-of-ultracold-chemical-reactions-of-triplet-alkali-metal-dimers-with-alkali-metal-atoms-2102.05707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-spin-state-selectivity-and-magnetic-tuning-of-ultracold-chemical-reactions-of-triplet-alkali-metal-dimers-with-alkali-metal-atoms-2102.05707"/></url>
<url><loc>https://scifaro.com/en/abs/synergism-of-the-dynamics-of-tetrahedral-hydrogen-bonds-of-liquid-water-2102.06030</loc><lastmod>2021-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synergism-of-the-dynamics-of-tetrahedral-hydrogen-bonds-of-liquid-water-2102.06030"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synergism-of-the-dynamics-of-tetrahedral-hydrogen-bonds-of-liquid-water-2102.06030"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-decay-process-spectra-including-nuclear-degrees-of-freedom-2102.06040</loc><lastmod>2025-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-decay-process-spectra-including-nuclear-degrees-of-freedom-2102.06040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-decay-process-spectra-including-nuclear-degrees-of-freedom-2102.06040"/></url>
<url><loc>https://scifaro.com/en/abs/building-intuition-for-binding-free-energy-calculations-bound-state-definition-restraints-and-symmetry-2102.06089</loc><lastmod>2021-05-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/building-intuition-for-binding-free-energy-calculations-bound-state-definition-restraints-and-symmetry-2102.06089"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/building-intuition-for-binding-free-energy-calculations-bound-state-definition-restraints-and-symmetry-2102.06089"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-neutron-cross-sections-of-amino-acids-from-average-contributions-of-functional-groups-2102.06147</loc><lastmod>2021-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-neutron-cross-sections-of-amino-acids-from-average-contributions-of-functional-groups-2102.06147"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-neutron-cross-sections-of-amino-acids-from-average-contributions-of-functional-groups-2102.06147"/></url>
<url><loc>https://scifaro.com/en/abs/statistically-unbiased-free-energy-estimates-from-biased-simulations-2102.06167</loc><lastmod>2021-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistically-unbiased-free-energy-estimates-from-biased-simulations-2102.06167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistically-unbiased-free-energy-estimates-from-biased-simulations-2102.06167"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-orbital-free-density-functional-theory-background-and-pauli-kernel-approximations-2102.06174</loc><lastmod>2021-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-orbital-free-density-functional-theory-background-and-pauli-kernel-approximations-2102.06174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-orbital-free-density-functional-theory-background-and-pauli-kernel-approximations-2102.06174"/></url>
<url><loc>https://scifaro.com/en/abs/combining-machine-learning-and-computational-chemistry-for-predictive-insights-into-chemical-systems-2102.06321</loc><lastmod>2021-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-machine-learning-and-computational-chemistry-for-predictive-insights-into-chemical-systems-2102.06321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-machine-learning-and-computational-chemistry-for-predictive-insights-into-chemical-systems-2102.06321"/></url>
<url><loc>https://scifaro.com/en/abs/infrared-spectroscopy-of-endohedral-water-in-c-60-2102.06389</loc><lastmod>2021-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infrared-spectroscopy-of-endohedral-water-in-c-60-2102.06389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infrared-spectroscopy-of-endohedral-water-in-c-60-2102.06389"/></url>
<url><loc>https://scifaro.com/en/abs/ir-photofragmentation-of-the-phenyl-cation-spectroscopy-and-fragmentation-pathways-2102.06420</loc><lastmod>2021-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ir-photofragmentation-of-the-phenyl-cation-spectroscopy-and-fragmentation-pathways-2102.06420"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ir-photofragmentation-of-the-phenyl-cation-spectroscopy-and-fragmentation-pathways-2102.06420"/></url>
<url><loc>https://scifaro.com/en/abs/exactly-solvable-1d-model-explains-the-low-energy-vibrational-level-structure-of-protonated-methane-2102.06424</loc><lastmod>2021-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exactly-solvable-1d-model-explains-the-low-energy-vibrational-level-structure-of-protonated-methane-2102.06424"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exactly-solvable-1d-model-explains-the-low-energy-vibrational-level-structure-of-protonated-methane-2102.06424"/></url>
<url><loc>https://scifaro.com/en/abs/exciton-dynamics-in-conjugated-polymers-2102.06615</loc><lastmod>2021-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exciton-dynamics-in-conjugated-polymers-2102.06615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exciton-dynamics-in-conjugated-polymers-2102.06615"/></url>
<url><loc>https://scifaro.com/en/abs/explaining-and-fixing-dft-failures-for-torsional-barriers-2102.06842</loc><lastmod>2021-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explaining-and-fixing-dft-failures-for-torsional-barriers-2102.06842"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explaining-and-fixing-dft-failures-for-torsional-barriers-2102.06842"/></url>
<url><loc>https://scifaro.com/en/abs/ysz-polypyrrole-hybrid-nanostructure-composite-electrode-for-electrochemical-double-layer-capacitor-2102.07145</loc><lastmod>2024-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ysz-polypyrrole-hybrid-nanostructure-composite-electrode-for-electrochemical-double-layer-capacitor-2102.07145"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ysz-polypyrrole-hybrid-nanostructure-composite-electrode-for-electrochemical-double-layer-capacitor-2102.07145"/></url>
<url><loc>https://scifaro.com/en/abs/symmetrizing-cathode-anode-response-to-speed-up-charging-of-nanoporous-supercapacitors-2102.07230</loc><lastmod>2021-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetrizing-cathode-anode-response-to-speed-up-charging-of-nanoporous-supercapacitors-2102.07230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetrizing-cathode-anode-response-to-speed-up-charging-of-nanoporous-supercapacitors-2102.07230"/></url>
<url><loc>https://scifaro.com/en/abs/probing-photoinduced-proton-coupled-electron-transfer-process-by-means-of-two-dimensional-resonant-electronic-vibrational-spectroscopy-2102.07274</loc><lastmod>2021-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-photoinduced-proton-coupled-electron-transfer-process-by-means-of-two-dimensional-resonant-electronic-vibrational-spectroscopy-2102.07274"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-photoinduced-proton-coupled-electron-transfer-process-by-means-of-two-dimensional-resonant-electronic-vibrational-spectroscopy-2102.07274"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-the-performance-of-dft-functionals-using-off-diagonal-hypervirial-relationships-2102.07603</loc><lastmod>2021-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-the-performance-of-dft-functionals-using-off-diagonal-hypervirial-relationships-2102.07603"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-the-performance-of-dft-functionals-using-off-diagonal-hypervirial-relationships-2102.07603"/></url>
<url><loc>https://scifaro.com/en/abs/photochemically-induced-dynamic-nuclear-polarization-of-heteronuclear-singlet-order-2102.07664</loc><lastmod>2021-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photochemically-induced-dynamic-nuclear-polarization-of-heteronuclear-singlet-order-2102.07664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photochemically-induced-dynamic-nuclear-polarization-of-heteronuclear-singlet-order-2102.07664"/></url>
<url><loc>https://scifaro.com/en/abs/short-range-correlation-energy-of-the-relativistic-homogeneous-electron-gas-2102.07761</loc><lastmod>2021-05-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/short-range-correlation-energy-of-the-relativistic-homogeneous-electron-gas-2102.07761"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/short-range-correlation-energy-of-the-relativistic-homogeneous-electron-gas-2102.07761"/></url>
<url><loc>https://scifaro.com/en/abs/a-markov-theoretic-description-of-stacking-disordered-aperiodic-crystals-including-ice-and-opaline-silica-2102.08418</loc><lastmod>2021-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-markov-theoretic-description-of-stacking-disordered-aperiodic-crystals-including-ice-and-opaline-silica-2102.08418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-markov-theoretic-description-of-stacking-disordered-aperiodic-crystals-including-ice-and-opaline-silica-2102.08418"/></url>
<url><loc>https://scifaro.com/en/abs/a-hidden-markov-model-for-describing-turbostratic-disorder-applied-to-carbon-blacks-and-graphene-2102.08421</loc><lastmod>2021-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-hidden-markov-model-for-describing-turbostratic-disorder-applied-to-carbon-blacks-and-graphene-2102.08421"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-hidden-markov-model-for-describing-turbostratic-disorder-applied-to-carbon-blacks-and-graphene-2102.08421"/></url>
<url><loc>https://scifaro.com/en/abs/perspective-on-integrating-machine-learning-into-computational-chemistry-and-materials-science-2102.08435</loc><lastmod>2021-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perspective-on-integrating-machine-learning-into-computational-chemistry-and-materials-science-2102.08435"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perspective-on-integrating-machine-learning-into-computational-chemistry-and-materials-science-2102.08435"/></url>
<url><loc>https://scifaro.com/en/abs/approximate-functionals-in-hypercomplex-kohn-sham-theory-2102.08790</loc><lastmod>2022-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximate-functionals-in-hypercomplex-kohn-sham-theory-2102.08790"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximate-functionals-in-hypercomplex-kohn-sham-theory-2102.08790"/></url>
<url><loc>https://scifaro.com/en/abs/params-parameter-optimization-for-atomistic-and-molecular-simulations-2102.08843</loc><lastmod>2021-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/params-parameter-optimization-for-atomistic-and-molecular-simulations-2102.08843"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/params-parameter-optimization-for-atomistic-and-molecular-simulations-2102.08843"/></url>
<url><loc>https://scifaro.com/en/abs/the-rigorous-criteria-for-the-phase-transitions-in-coulomb-crystals-2102.08912</loc><lastmod>2021-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-rigorous-criteria-for-the-phase-transitions-in-coulomb-crystals-2102.08912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-rigorous-criteria-for-the-phase-transitions-in-coulomb-crystals-2102.08912"/></url>
<url><loc>https://scifaro.com/en/abs/the-nonlocal-dielectric-response-of-water-in-nanoconfinement-2102.09309</loc><lastmod>2021-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-nonlocal-dielectric-response-of-water-in-nanoconfinement-2102.09309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-nonlocal-dielectric-response-of-water-in-nanoconfinement-2102.09309"/></url>
<url><loc>https://scifaro.com/en/abs/automated-construction-of-quantum-classical-hybrid-models-2102.09355</loc><lastmod>2021-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-construction-of-quantum-classical-hybrid-models-2102.09355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-construction-of-quantum-classical-hybrid-models-2102.09355"/></url>
<url><loc>https://scifaro.com/en/abs/quasi-relativistic-approach-to-analytical-gradients-of-parity-violating-potentials-2102.09897</loc><lastmod>2023-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quasi-relativistic-approach-to-analytical-gradients-of-parity-violating-potentials-2102.09897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quasi-relativistic-approach-to-analytical-gradients-of-parity-violating-potentials-2102.09897"/></url>
<url><loc>https://scifaro.com/en/abs/low-energy-constraints-on-photoelectron-spectra-measured-from-liquid-water-and-aqueous-solutions-2102.10082</loc><lastmod>2021-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-energy-constraints-on-photoelectron-spectra-measured-from-liquid-water-and-aqueous-solutions-2102.10082"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-energy-constraints-on-photoelectron-spectra-measured-from-liquid-water-and-aqueous-solutions-2102.10082"/></url>
<url><loc>https://scifaro.com/en/abs/is-externally-corrected-coupled-cluster-always-better-than-the-underlying-truncated-configuration-interaction-2102.10143</loc><lastmod>2021-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-externally-corrected-coupled-cluster-always-better-than-the-underlying-truncated-configuration-interaction-2102.10143"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-externally-corrected-coupled-cluster-always-better-than-the-underlying-truncated-configuration-interaction-2102.10143"/></url>
<url><loc>https://scifaro.com/en/abs/high-level-coupled-cluster-energetics-by-monte-carlo-sampling-and-moment-expansions-further-details-and-comparisons-2102.10158</loc><lastmod>2021-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-level-coupled-cluster-energetics-by-monte-carlo-sampling-and-moment-expansions-further-details-and-comparisons-2102.10158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-level-coupled-cluster-energetics-by-monte-carlo-sampling-and-moment-expansions-further-details-and-comparisons-2102.10158"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-density-functional-theory-based-on-effective-quantum-electrodynamics-2102.10465</loc><lastmod>2021-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-density-functional-theory-based-on-effective-quantum-electrodynamics-2102.10465"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-density-functional-theory-based-on-effective-quantum-electrodynamics-2102.10465"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-magnetic-resonance-diffusometry-of-linear-and-branched-wormlike-micelles-2102.10491</loc><lastmod>2021-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-magnetic-resonance-diffusometry-of-linear-and-branched-wormlike-micelles-2102.10491"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-magnetic-resonance-diffusometry-of-linear-and-branched-wormlike-micelles-2102.10491"/></url>
<url><loc>https://scifaro.com/en/abs/the-effect-of-dna-bases-permutation-on-surface-enhanced-raman-scattering-spectrum-2102.10512</loc><lastmod>2021-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effect-of-dna-bases-permutation-on-surface-enhanced-raman-scattering-spectrum-2102.10512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effect-of-dna-bases-permutation-on-surface-enhanced-raman-scattering-spectrum-2102.10512"/></url>
<url><loc>https://scifaro.com/en/abs/meteoritic-proteins-with-glycine-iron-and-lithium-2102.10700</loc><lastmod>2021-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/meteoritic-proteins-with-glycine-iron-and-lithium-2102.10700"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/meteoritic-proteins-with-glycine-iron-and-lithium-2102.10700"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-1-h-nmr-relaxation-in-gd-3-aqua-2102.10763</loc><lastmod>2021-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-1-h-nmr-relaxation-in-gd-3-aqua-2102.10763"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-1-h-nmr-relaxation-in-gd-3-aqua-2102.10763"/></url>
<url><loc>https://scifaro.com/en/abs/near-resonant-effects-in-the-quantum-dynamics-of-the-h-h-2-rightarrow-h-2-h-charge-transfer-reaction-and-isotopic-variants-2102.10930</loc><lastmod>2021-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-resonant-effects-in-the-quantum-dynamics-of-the-h-h-2-rightarrow-h-2-h-charge-transfer-reaction-and-isotopic-variants-2102.10930"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-resonant-effects-in-the-quantum-dynamics-of-the-h-h-2-rightarrow-h-2-h-charge-transfer-reaction-and-isotopic-variants-2102.10930"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-the-correctness-of-pressure-correction-to-solvation-theories-in-the-study-of-electron-transfer-reactions-2102.11616</loc><lastmod>2021-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-the-correctness-of-pressure-correction-to-solvation-theories-in-the-study-of-electron-transfer-reactions-2102.11616"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-the-correctness-of-pressure-correction-to-solvation-theories-in-the-study-of-electron-transfer-reactions-2102.11616"/></url>
<url><loc>https://scifaro.com/en/abs/insight-into-the-structure-property-relation-of-uo2-nanoparticles-2102.11643</loc><lastmod>2021-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/insight-into-the-structure-property-relation-of-uo2-nanoparticles-2102.11643"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/insight-into-the-structure-property-relation-of-uo2-nanoparticles-2102.11643"/></url>
<url><loc>https://scifaro.com/en/abs/multi-replica-biased-sampling-for-photoswitchable-pi-conjugated-polymers-2102.12121</loc><lastmod>2021-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-replica-biased-sampling-for-photoswitchable-pi-conjugated-polymers-2102.12121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-replica-biased-sampling-for-photoswitchable-pi-conjugated-polymers-2102.12121"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-and-decay-rates-of-a-time-dependent-two-saddle-system-2102.12577</loc><lastmod>2021-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-and-decay-rates-of-a-time-dependent-two-saddle-system-2102.12577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-and-decay-rates-of-a-time-dependent-two-saddle-system-2102.12577"/></url>
<url><loc>https://scifaro.com/en/abs/externally-corrected-ccsd-with-renormalized-perturbative-triples-r-ecccsd-t-and-density-matrix-renormalization-group-and-selected-configuration-interaction-external-sources-2102.12703</loc><lastmod>2021-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/externally-corrected-ccsd-with-renormalized-perturbative-triples-r-ecccsd-t-and-density-matrix-renormalization-group-and-selected-configuration-interaction-external-sources-2102.12703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/externally-corrected-ccsd-with-renormalized-perturbative-triples-r-ecccsd-t-and-density-matrix-renormalization-group-and-selected-configuration-interaction-external-sources-2102.12703"/></url>
<url><loc>https://scifaro.com/en/abs/reducing-charge-delocalization-error-of-density-functional-theory-2102.12992</loc><lastmod>2021-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reducing-charge-delocalization-error-of-density-functional-theory-2102.12992"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reducing-charge-delocalization-error-of-density-functional-theory-2102.12992"/></url>
<url><loc>https://scifaro.com/en/abs/following-excited-state-chemical-shifts-in-molecular-ultrafast-x-ray-photoelectron-spectroscopy-2102.13431</loc><lastmod>2022-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/following-excited-state-chemical-shifts-in-molecular-ultrafast-x-ray-photoelectron-spectroscopy-2102.13431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/following-excited-state-chemical-shifts-in-molecular-ultrafast-x-ray-photoelectron-spectroscopy-2102.13431"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-energies-through-becke-s-exciton-model-within-a-cartesian-grid-ks-dft-2102.13579</loc><lastmod>2021-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-energies-through-becke-s-exciton-model-within-a-cartesian-grid-ks-dft-2102.13579"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-energies-through-becke-s-exciton-model-within-a-cartesian-grid-ks-dft-2102.13579"/></url>
<url><loc>https://scifaro.com/en/abs/identification-of-an-ultrafast-internal-conversion-pathway-of-pyrazine-by-time-resolved-vacuum-ultraviolet-photoelectron-spectrum-simulations-2102.13617</loc><lastmod>2021-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-of-an-ultrafast-internal-conversion-pathway-of-pyrazine-by-time-resolved-vacuum-ultraviolet-photoelectron-spectrum-simulations-2102.13617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-of-an-ultrafast-internal-conversion-pathway-of-pyrazine-by-time-resolved-vacuum-ultraviolet-photoelectron-spectrum-simulations-2102.13617"/></url>
<url><loc>https://scifaro.com/en/abs/a-skew-dividing-surface-for-accurate-nonadiabatic-mean-field-ring-polymer-rates-2103.00059</loc><lastmod>2021-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-skew-dividing-surface-for-accurate-nonadiabatic-mean-field-ring-polymer-rates-2103.00059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-skew-dividing-surface-for-accurate-nonadiabatic-mean-field-ring-polymer-rates-2103.00059"/></url>
<url><loc>https://scifaro.com/en/abs/deep-learning-methods-for-the-computation-of-vibrational-wavefunctions-2103.00202</loc><lastmod>2021-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deep-learning-methods-for-the-computation-of-vibrational-wavefunctions-2103.00202"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deep-learning-methods-for-the-computation-of-vibrational-wavefunctions-2103.00202"/></url>
<url><loc>https://scifaro.com/en/abs/hyperpolarization-of-cis-15n-15n-azobenzene-by-parahydrogen-at-ultralow-magnetic-fields-2103.00289</loc><lastmod>2021-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hyperpolarization-of-cis-15n-15n-azobenzene-by-parahydrogen-at-ultralow-magnetic-fields-2103.00289"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hyperpolarization-of-cis-15n-15n-azobenzene-by-parahydrogen-at-ultralow-magnetic-fields-2103.00289"/></url>
<url><loc>https://scifaro.com/en/abs/disorder-enhanced-quantum-process-tomography-using-quantum-light-2103.00696</loc><lastmod>2021-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/disorder-enhanced-quantum-process-tomography-using-quantum-light-2103.00696"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/disorder-enhanced-quantum-process-tomography-using-quantum-light-2103.00696"/></url>
<url><loc>https://scifaro.com/en/abs/rovibrational-spectroscopy-of-the-ch-he-and-ch-he-4-complexes-2103.00957</loc><lastmod>2021-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rovibrational-spectroscopy-of-the-ch-he-and-ch-he-4-complexes-2103.00957"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rovibrational-spectroscopy-of-the-ch-he-and-ch-he-4-complexes-2103.00957"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-infrared-action-spectroscopy-of-the-fundamental-vibrational-band-of-cn-2103.00962</loc><lastmod>2021-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-infrared-action-spectroscopy-of-the-fundamental-vibrational-band-of-cn-2103.00962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-infrared-action-spectroscopy-of-the-fundamental-vibrational-band-of-cn-2103.00962"/></url>
<url><loc>https://scifaro.com/en/abs/challenges-for-machine-learning-force-fields-in-reproducing-potential-energy-surfaces-of-flexible-molecules-2103.01103</loc><lastmod>2021-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/challenges-for-machine-learning-force-fields-in-reproducing-potential-energy-surfaces-of-flexible-molecules-2103.01103"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/challenges-for-machine-learning-force-fields-in-reproducing-potential-energy-surfaces-of-flexible-molecules-2103.01103"/></url>
<url><loc>https://scifaro.com/en/abs/homonuclear-j-coupling-spectroscopy-at-low-magnetic-fields-using-spin-lock-induced-crossing-2103.01289</loc><lastmod>2021-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/homonuclear-j-coupling-spectroscopy-at-low-magnetic-fields-using-spin-lock-induced-crossing-2103.01289"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/homonuclear-j-coupling-spectroscopy-at-low-magnetic-fields-using-spin-lock-induced-crossing-2103.01289"/></url>
<url><loc>https://scifaro.com/en/abs/window-function-for-chirped-pulse-spectroscopy-with-enhanced-signal-to-noise-ratio-and-lineshape-correction-2103.01365</loc><lastmod>2021-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/window-function-for-chirped-pulse-spectroscopy-with-enhanced-signal-to-noise-ratio-and-lineshape-correction-2103.01365"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/window-function-for-chirped-pulse-spectroscopy-with-enhanced-signal-to-noise-ratio-and-lineshape-correction-2103.01365"/></url>
<url><loc>https://scifaro.com/en/abs/long-lived-electron-spin-coherence-in-ga-doped-crystals-at-room-temperature-2103.01673</loc><lastmod>2021-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-lived-electron-spin-coherence-in-ga-doped-crystals-at-room-temperature-2103.01673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-lived-electron-spin-coherence-in-ga-doped-crystals-at-room-temperature-2103.01673"/></url>
<url><loc>https://scifaro.com/en/abs/improving-molecular-force-fields-across-configurational-space-by-combining-supervised-and-unsupervised-machine-learning-2103.01674</loc><lastmod>2021-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-molecular-force-fields-across-configurational-space-by-combining-supervised-and-unsupervised-machine-learning-2103.01674"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-molecular-force-fields-across-configurational-space-by-combining-supervised-and-unsupervised-machine-learning-2103.01674"/></url>
<url><loc>https://scifaro.com/en/abs/approximations-based-on-density-matrix-embedding-theory-for-density-functional-theories-2103.02027</loc><lastmod>2021-03-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximations-based-on-density-matrix-embedding-theory-for-density-functional-theories-2103.02027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximations-based-on-density-matrix-embedding-theory-for-density-functional-theories-2103.02027"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-modeling-of-calendar-capacity-loss-of-nickel-manganese-cobalt-nmc-graphite-lithium-ion-batteries-2103.02166</loc><lastmod>2021-03-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-modeling-of-calendar-capacity-loss-of-nickel-manganese-cobalt-nmc-graphite-lithium-ion-batteries-2103.02166"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-modeling-of-calendar-capacity-loss-of-nickel-manganese-cobalt-nmc-graphite-lithium-ion-batteries-2103.02166"/></url>
<url><loc>https://scifaro.com/en/abs/underlying-structure-activity-correlations-of-2d-layered-transition-metal-dichalcogenides-based-electrocatalysts-for-boosted-hydrogen-generation-2103.02441</loc><lastmod>2021-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/underlying-structure-activity-correlations-of-2d-layered-transition-metal-dichalcogenides-based-electrocatalysts-for-boosted-hydrogen-generation-2103.02441"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/underlying-structure-activity-correlations-of-2d-layered-transition-metal-dichalcogenides-based-electrocatalysts-for-boosted-hydrogen-generation-2103.02441"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-fock-space-multi-reference-coupled-cluster-method-based-on-natural-orbitals-theory-implementation-and-benchmark-2103.02547</loc><lastmod>2021-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-fock-space-multi-reference-coupled-cluster-method-based-on-natural-orbitals-theory-implementation-and-benchmark-2103.02547"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-fock-space-multi-reference-coupled-cluster-method-based-on-natural-orbitals-theory-implementation-and-benchmark-2103.02547"/></url>
<url><loc>https://scifaro.com/en/abs/hidden-vibronic-and-excitonic-structure-and-vibronic-coherence-transfer-in-the-bacterial-reaction-center-2103.02601</loc><lastmod>2022-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hidden-vibronic-and-excitonic-structure-and-vibronic-coherence-transfer-in-the-bacterial-reaction-center-2103.02601"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hidden-vibronic-and-excitonic-structure-and-vibronic-coherence-transfer-in-the-bacterial-reaction-center-2103.02601"/></url>
<url><loc>https://scifaro.com/en/abs/review-of-approximations-for-the-exchange-correlation-energy-in-density-functional-theory-2103.02645</loc><lastmod>2022-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/review-of-approximations-for-the-exchange-correlation-energy-in-density-functional-theory-2103.02645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/review-of-approximations-for-the-exchange-correlation-energy-in-density-functional-theory-2103.02645"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-gausslet-gaussian-basis-sets-2103.02734</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-gausslet-gaussian-basis-sets-2103.02734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-gausslet-gaussian-basis-sets-2103.02734"/></url>
<url><loc>https://scifaro.com/en/abs/from-prescriptive-to-predictive-an-interdisciplinary-perspective-on-the-future-of-computational-chemistry-2103.02933</loc><lastmod>2021-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-prescriptive-to-predictive-an-interdisciplinary-perspective-on-the-future-of-computational-chemistry-2103.02933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-prescriptive-to-predictive-an-interdisciplinary-perspective-on-the-future-of-computational-chemistry-2103.02933"/></url>
<url><loc>https://scifaro.com/en/abs/reference-energies-for-intramolecular-charge-transfer-excitations-2103.02947</loc><lastmod>2021-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reference-energies-for-intramolecular-charge-transfer-excitations-2103.02947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reference-energies-for-intramolecular-charge-transfer-excitations-2103.02947"/></url>
<url><loc>https://scifaro.com/en/abs/a-paradigm-system-for-strong-correlation-and-charge-transfer-competition-2103.03178</loc><lastmod>2021-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-paradigm-system-for-strong-correlation-and-charge-transfer-competition-2103.03178"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-paradigm-system-for-strong-correlation-and-charge-transfer-competition-2103.03178"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-directed-optimization-of-classical-molecular-modeling-force-fields-2103.03208</loc><lastmod>2021-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-directed-optimization-of-classical-molecular-modeling-force-fields-2103.03208"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-directed-optimization-of-classical-molecular-modeling-force-fields-2103.03208"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-four-component-dirac-coulomb-gaunt-hartree-fock-in-pauli-spinor-representation-2103.03416</loc><lastmod>2021-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-four-component-dirac-coulomb-gaunt-hartree-fock-in-pauli-spinor-representation-2103.03416"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-four-component-dirac-coulomb-gaunt-hartree-fock-in-pauli-spinor-representation-2103.03416"/></url>
<url><loc>https://scifaro.com/en/abs/prototypical-pi-pi-dimers-re-examined-by-means-of-high-level-ccsdt-q-composite-ab-inito-methods-2103.03479</loc><lastmod>2021-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prototypical-pi-pi-dimers-re-examined-by-means-of-high-level-ccsdt-q-composite-ab-inito-methods-2103.03479"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prototypical-pi-pi-dimers-re-examined-by-means-of-high-level-ccsdt-q-composite-ab-inito-methods-2103.03479"/></url>
<url><loc>https://scifaro.com/en/abs/optical-frequency-comb-fourier-transform-spectroscopy-of-14-n-2-16-o-at-7-8-mu-m-2103.03682</loc><lastmod>2023-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-frequency-comb-fourier-transform-spectroscopy-of-14-n-2-16-o-at-7-8-mu-m-2103.03682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-frequency-comb-fourier-transform-spectroscopy-of-14-n-2-16-o-at-7-8-mu-m-2103.03682"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-lithium-stripping-and-limits-for-fast-discharge-in-lithium-metal-batteries-2103.03921</loc><lastmod>2021-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-lithium-stripping-and-limits-for-fast-discharge-in-lithium-metal-batteries-2103.03921"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-lithium-stripping-and-limits-for-fast-discharge-in-lithium-metal-batteries-2103.03921"/></url>
<url><loc>https://scifaro.com/en/abs/inverse-kohn-sham-density-functional-theory-progress-and-challenges-2103.04238</loc><lastmod>2021-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inverse-kohn-sham-density-functional-theory-progress-and-challenges-2103.04238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inverse-kohn-sham-density-functional-theory-progress-and-challenges-2103.04238"/></url>
<url><loc>https://scifaro.com/en/abs/high-sensitivity-electrochemical-dual-qcm-for-reliable-three-electrode-measurements-2103.04415</loc><lastmod>2021-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-sensitivity-electrochemical-dual-qcm-for-reliable-three-electrode-measurements-2103.04415"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-sensitivity-electrochemical-dual-qcm-for-reliable-three-electrode-measurements-2103.04415"/></url>
<url><loc>https://scifaro.com/en/abs/achieving-two-dimensional-optical-spectroscopy-with-temporal-and-spectral-resolution-using-quantum-entangled-three-photons-2103.04534</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/achieving-two-dimensional-optical-spectroscopy-with-temporal-and-spectral-resolution-using-quantum-entangled-three-photons-2103.04534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/achieving-two-dimensional-optical-spectroscopy-with-temporal-and-spectral-resolution-using-quantum-entangled-three-photons-2103.04534"/></url>
<url><loc>https://scifaro.com/en/abs/robust-pipek-mezey-orbital-localization-in-periodic-solids-2103.04562</loc><lastmod>2024-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-pipek-mezey-orbital-localization-in-periodic-solids-2103.04562"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-pipek-mezey-orbital-localization-in-periodic-solids-2103.04562"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-optimized-density-functional-theory-for-electronic-excited-states-2103.04573</loc><lastmod>2021-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-optimized-density-functional-theory-for-electronic-excited-states-2103.04573"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-optimized-density-functional-theory-for-electronic-excited-states-2103.04573"/></url>
<url><loc>https://scifaro.com/en/abs/ion-clusters-and-networks-in-water-in-salt-electrolytes-2103.04782</loc><lastmod>2021-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ion-clusters-and-networks-in-water-in-salt-electrolytes-2103.04782"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ion-clusters-and-networks-in-water-in-salt-electrolytes-2103.04782"/></url>
<url><loc>https://scifaro.com/en/abs/static-dipole-polarizabilities-of-polyacenes-using-self-interaction-corrected-density-functional-approximations-2103.05063</loc><lastmod>2021-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/static-dipole-polarizabilities-of-polyacenes-using-self-interaction-corrected-density-functional-approximations-2103.05063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/static-dipole-polarizabilities-of-polyacenes-using-self-interaction-corrected-density-functional-approximations-2103.05063"/></url>
<url><loc>https://scifaro.com/en/abs/high-dimensional-quantum-dynamics-study-on-excitation-specific-surface-scattering-including-lattice-effects-of-a-five-atoms-surface-cell-2103.05188</loc><lastmod>2021-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-dimensional-quantum-dynamics-study-on-excitation-specific-surface-scattering-including-lattice-effects-of-a-five-atoms-surface-cell-2103.05188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-dimensional-quantum-dynamics-study-on-excitation-specific-surface-scattering-including-lattice-effects-of-a-five-atoms-surface-cell-2103.05188"/></url>
<url><loc>https://scifaro.com/en/abs/mp2-is-not-good-enough-transfer-learning-ml-models-for-accurate-vpt2-frequencies-2103.05491</loc><lastmod>2021-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mp2-is-not-good-enough-transfer-learning-ml-models-for-accurate-vpt2-frequencies-2103.05491"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mp2-is-not-good-enough-transfer-learning-ml-models-for-accurate-vpt2-frequencies-2103.05491"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-interference-and-imaging-using-intense-laser-fields-2103.05686</loc><lastmod>2021-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-interference-and-imaging-using-intense-laser-fields-2103.05686"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-interference-and-imaging-using-intense-laser-fields-2103.05686"/></url>
<url><loc>https://scifaro.com/en/abs/a-reciprocal-space-formulation-of-mixed-quantum-classical-dynamics-2103.06285</loc><lastmod>2021-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-reciprocal-space-formulation-of-mixed-quantum-classical-dynamics-2103.06285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-reciprocal-space-formulation-of-mixed-quantum-classical-dynamics-2103.06285"/></url>
<url><loc>https://scifaro.com/en/abs/the-c-3-p-o-2-3-sigma-g-leftrightarrow-co-2-leftrightarrow-co-1-sigma-o-1-d-o-3-p-reaction-thermal-and-vibrational-relaxation-rates-from-15-k-to-20000-k-2103.06521</loc><lastmod>2021-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-c-3-p-o-2-3-sigma-g-leftrightarrow-co-2-leftrightarrow-co-1-sigma-o-1-d-o-3-p-reaction-thermal-and-vibrational-relaxation-rates-from-15-k-to-20000-k-2103.06521"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-c-3-p-o-2-3-sigma-g-leftrightarrow-co-2-leftrightarrow-co-1-sigma-o-1-d-o-3-p-reaction-thermal-and-vibrational-relaxation-rates-from-15-k-to-20000-k-2103.06521"/></url>
<url><loc>https://scifaro.com/en/abs/collective-vibrational-strong-coupling-effects-on-molecular-vibrational-relaxation-and-energy-transfer-numerical-insights-via-cavity-molecular-dynamics-simulations-2103.06749</loc><lastmod>2021-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collective-vibrational-strong-coupling-effects-on-molecular-vibrational-relaxation-and-energy-transfer-numerical-insights-via-cavity-molecular-dynamics-simulations-2103.06749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collective-vibrational-strong-coupling-effects-on-molecular-vibrational-relaxation-and-energy-transfer-numerical-insights-via-cavity-molecular-dynamics-simulations-2103.06749"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dft-u-a-transferable-low-cost-approach-to-eliminate-delocalization-error-2103.06781</loc><lastmod>2021-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dft-u-a-transferable-low-cost-approach-to-eliminate-delocalization-error-2103.06781"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dft-u-a-transferable-low-cost-approach-to-eliminate-delocalization-error-2103.06781"/></url>
<url><loc>https://scifaro.com/en/abs/multiscale-molecular-kinetics-by-coupling-markov-state-models-and-reaction-diffusion-dynamics-2103.06889</loc><lastmod>2021-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-molecular-kinetics-by-coupling-markov-state-models-and-reaction-diffusion-dynamics-2103.06889"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-molecular-kinetics-by-coupling-markov-state-models-and-reaction-diffusion-dynamics-2103.06889"/></url>
<url><loc>https://scifaro.com/en/abs/controlling-the-degree-of-rotational-directionality-in-laser-induced-molecular-dynamics-2103.07077</loc><lastmod>2021-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlling-the-degree-of-rotational-directionality-in-laser-induced-molecular-dynamics-2103.07077"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlling-the-degree-of-rotational-directionality-in-laser-induced-molecular-dynamics-2103.07077"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-light-induced-dynamics-in-the-microsolvated-biomolecular-indole-chromophore-with-water-2103.07171</loc><lastmod>2022-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-light-induced-dynamics-in-the-microsolvated-biomolecular-indole-chromophore-with-water-2103.07171"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-light-induced-dynamics-in-the-microsolvated-biomolecular-indole-chromophore-with-water-2103.07171"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-quantum-chemical-dynamics-problems-onto-spin-lattice-simulators-2103.07420</loc><lastmod>2021-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-quantum-chemical-dynamics-problems-onto-spin-lattice-simulators-2103.07420"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-quantum-chemical-dynamics-problems-onto-spin-lattice-simulators-2103.07420"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-inference-of-molecular-dipole-moment-in-liquid-water-2103.08274</loc><lastmod>2021-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-inference-of-molecular-dipole-moment-in-liquid-water-2103.08274"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-inference-of-molecular-dipole-moment-in-liquid-water-2103.08274"/></url>
<url><loc>https://scifaro.com/en/abs/toward-machine-learned-highly-reduce-kinetic-models-for-methane-air-combustion-2103.08377</loc><lastmod>2022-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-machine-learned-highly-reduce-kinetic-models-for-methane-air-combustion-2103.08377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-machine-learned-highly-reduce-kinetic-models-for-methane-air-combustion-2103.08377"/></url>
<url><loc>https://scifaro.com/en/abs/implementation-of-relativistic-coupled-cluster-theory-for-massively-parallel-gpu-accelerated-computing-architectures-2103.08473</loc><lastmod>2023-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/implementation-of-relativistic-coupled-cluster-theory-for-massively-parallel-gpu-accelerated-computing-architectures-2103.08473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/implementation-of-relativistic-coupled-cluster-theory-for-massively-parallel-gpu-accelerated-computing-architectures-2103.08473"/></url>
<url><loc>https://scifaro.com/en/abs/skeletal-model-reduction-with-forced-optimally-time-dependent-modes-2103.09101</loc><lastmod>2021-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/skeletal-model-reduction-with-forced-optimally-time-dependent-modes-2103.09101"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/skeletal-model-reduction-with-forced-optimally-time-dependent-modes-2103.09101"/></url>
<url><loc>https://scifaro.com/en/abs/ultra-sensitive-multi-species-spectroscopic-breath-analysis-for-real-time-health-monitoring-and-diagnostics-2103.09221</loc><lastmod>2022-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultra-sensitive-multi-species-spectroscopic-breath-analysis-for-real-time-health-monitoring-and-diagnostics-2103.09221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultra-sensitive-multi-species-spectroscopic-breath-analysis-for-real-time-health-monitoring-and-diagnostics-2103.09221"/></url>
<url><loc>https://scifaro.com/en/abs/advanced-raman-spectroscopy-detection-of-oxidative-damage-in-nucleic-acid-bases-probing-chemical-changes-and-intermolecular-interactions-in-guanosine-at-ultralow-concentration-2103.09524</loc><lastmod>2021-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/advanced-raman-spectroscopy-detection-of-oxidative-damage-in-nucleic-acid-bases-probing-chemical-changes-and-intermolecular-interactions-in-guanosine-at-ultralow-concentration-2103.09524"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/advanced-raman-spectroscopy-detection-of-oxidative-damage-in-nucleic-acid-bases-probing-chemical-changes-and-intermolecular-interactions-in-guanosine-at-ultralow-concentration-2103.09524"/></url>
<url><loc>https://scifaro.com/en/abs/exactly-solvable-double-well-potential-in-schr-odinger-equation-for-inversion-mode-of-phosphine-molecule-2103.09578</loc><lastmod>2021-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exactly-solvable-double-well-potential-in-schr-odinger-equation-for-inversion-mode-of-phosphine-molecule-2103.09578"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exactly-solvable-double-well-potential-in-schr-odinger-equation-for-inversion-mode-of-phosphine-molecule-2103.09578"/></url>
<url><loc>https://scifaro.com/en/abs/nanostructures-design-the-role-of-cocatalysts-for-hydrogen-and-oxygen-generation-in-photocatalytic-water-splitting-2103.09798</loc><lastmod>2021-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanostructures-design-the-role-of-cocatalysts-for-hydrogen-and-oxygen-generation-in-photocatalytic-water-splitting-2103.09798"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanostructures-design-the-role-of-cocatalysts-for-hydrogen-and-oxygen-generation-in-photocatalytic-water-splitting-2103.09798"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-reactive-simulation-for-equation-of-state-prediction-2103.09849</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-reactive-simulation-for-equation-of-state-prediction-2103.09849"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-reactive-simulation-for-equation-of-state-prediction-2103.09849"/></url>
<url><loc>https://scifaro.com/en/abs/controlling-quantum-interference-between-virtual-and-dipole-two-photon-optical-excitation-pathways-using-phase-shaped-laser-pulses-2103.09912</loc><lastmod>2021-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlling-quantum-interference-between-virtual-and-dipole-two-photon-optical-excitation-pathways-using-phase-shaped-laser-pulses-2103.09912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlling-quantum-interference-between-virtual-and-dipole-two-photon-optical-excitation-pathways-using-phase-shaped-laser-pulses-2103.09912"/></url>
<url><loc>https://scifaro.com/en/abs/physically-inspired-deep-learning-of-molecular-excitations-and-photoemission-spectra-2103.09948</loc><lastmod>2021-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physically-inspired-deep-learning-of-molecular-excitations-and-photoemission-spectra-2103.09948"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physically-inspired-deep-learning-of-molecular-excitations-and-photoemission-spectra-2103.09948"/></url>
<url><loc>https://scifaro.com/en/abs/near-exact-casscf-level-geometry-optimization-with-a-large-active-space-using-adaptive-sampling-configuration-interaction-self-consistent-field-corrected-with-second-order-perturbation-theory-asci-scf-pt2-2103.09972</loc><lastmod>2021-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-exact-casscf-level-geometry-optimization-with-a-large-active-space-using-adaptive-sampling-configuration-interaction-self-consistent-field-corrected-with-second-order-perturbation-theory-asci-scf-pt2-2103.09972"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-exact-casscf-level-geometry-optimization-with-a-large-active-space-using-adaptive-sampling-configuration-interaction-self-consistent-field-corrected-with-second-order-perturbation-theory-asci-scf-pt2-2103.09972"/></url>
<url><loc>https://scifaro.com/en/abs/low-communication-high-performance-ab-initio-density-matrix-renormalization-group-algorithms-2103.09976</loc><lastmod>2021-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-communication-high-performance-ab-initio-density-matrix-renormalization-group-algorithms-2103.09976"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-communication-high-performance-ab-initio-density-matrix-renormalization-group-algorithms-2103.09976"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-diatomic-spectroscopy-data-2103.09995</loc><lastmod>2021-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-diatomic-spectroscopy-data-2103.09995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-diatomic-spectroscopy-data-2103.09995"/></url>
<url><loc>https://scifaro.com/en/abs/a-large-starphene-comprising-pentacene-branches-2103.10072</loc><lastmod>2021-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-large-starphene-comprising-pentacene-branches-2103.10072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-large-starphene-comprising-pentacene-branches-2103.10072"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-description-of-interfaces-applying-the-2pt-method-on-reaxff-molecular-dynamics-simulations-2103.10254</loc><lastmod>2021-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-description-of-interfaces-applying-the-2pt-method-on-reaxff-molecular-dynamics-simulations-2103.10254"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-description-of-interfaces-applying-the-2pt-method-on-reaxff-molecular-dynamics-simulations-2103.10254"/></url>
<url><loc>https://scifaro.com/en/abs/fluctuating-multiscale-mass-action-law-2103.11004</loc><lastmod>2021-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fluctuating-multiscale-mass-action-law-2103.11004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fluctuating-multiscale-mass-action-law-2103.11004"/></url>
<url><loc>https://scifaro.com/en/abs/full-molecular-dynamics-simulations-of-molecular-liquids-for-single-beam-spectrally-controlled-two-dimensional-raman-spectroscopy-2103.11053</loc><lastmod>2021-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-molecular-dynamics-simulations-of-molecular-liquids-for-single-beam-spectrally-controlled-two-dimensional-raman-spectroscopy-2103.11053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-molecular-dynamics-simulations-of-molecular-liquids-for-single-beam-spectrally-controlled-two-dimensional-raman-spectroscopy-2103.11053"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogenation-of-c-24-carbon-clusters-structural-diversity-and-energetic-properties-2103.11915</loc><lastmod>2021-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogenation-of-c-24-carbon-clusters-structural-diversity-and-energetic-properties-2103.11915"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogenation-of-c-24-carbon-clusters-structural-diversity-and-energetic-properties-2103.11915"/></url>
<url><loc>https://scifaro.com/en/abs/photoinduced-dynamics-of-organic-molecules-using-nonequilibrium-green-s-functions-with-second-born-gw-t-matrix-and-three-particle-ladder-correlations-2103.11932</loc><lastmod>2021-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoinduced-dynamics-of-organic-molecules-using-nonequilibrium-green-s-functions-with-second-born-gw-t-matrix-and-three-particle-ladder-correlations-2103.11932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoinduced-dynamics-of-organic-molecules-using-nonequilibrium-green-s-functions-with-second-born-gw-t-matrix-and-three-particle-ladder-correlations-2103.11932"/></url>
<url><loc>https://scifaro.com/en/abs/breaking-the-coupled-cluster-barrier-for-machine-learned-potentials-of-large-molecules-the-case-of-15-atom-acetylacetone-2103.12333</loc><lastmod>2021-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/breaking-the-coupled-cluster-barrier-for-machine-learned-potentials-of-large-molecules-the-case-of-15-atom-acetylacetone-2103.12333"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/breaking-the-coupled-cluster-barrier-for-machine-learned-potentials-of-large-molecules-the-case-of-15-atom-acetylacetone-2103.12333"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-the-accuracy-of-tailored-coupled-cluster-methods-corrected-by-electronic-wave-functions-of-polynomial-cost-2103.12381</loc><lastmod>2021-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-the-accuracy-of-tailored-coupled-cluster-methods-corrected-by-electronic-wave-functions-of-polynomial-cost-2103.12381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-the-accuracy-of-tailored-coupled-cluster-methods-corrected-by-electronic-wave-functions-of-polynomial-cost-2103.12381"/></url>
<url><loc>https://scifaro.com/en/abs/simulations-of-state-of-the-art-fermionic-neural-network-wave-functions-with-diffusion-monte-carlo-2103.12570</loc><lastmod>2021-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulations-of-state-of-the-art-fermionic-neural-network-wave-functions-with-diffusion-monte-carlo-2103.12570"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulations-of-state-of-the-art-fermionic-neural-network-wave-functions-with-diffusion-monte-carlo-2103.12570"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-solvation-free-energies-in-non-polar-solvents-using-classical-density-functional-theory-based-on-the-pc-saft-equation-of-state-2103.12617</loc><lastmod>2021-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-solvation-free-energies-in-non-polar-solvents-using-classical-density-functional-theory-based-on-the-pc-saft-equation-of-state-2103.12617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-solvation-free-energies-in-non-polar-solvents-using-classical-density-functional-theory-based-on-the-pc-saft-equation-of-state-2103.12617"/></url>
<url><loc>https://scifaro.com/en/abs/two-component-pseudovectoral-chirality-function-for-tetrahedra-2103.12949</loc><lastmod>2021-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-component-pseudovectoral-chirality-function-for-tetrahedra-2103.12949"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-component-pseudovectoral-chirality-function-for-tetrahedra-2103.12949"/></url>
<url><loc>https://scifaro.com/en/abs/converged-colored-noise-path-integral-molecular-dynamics-study-of-the-zundel-cation-down-to-ultra-low-temperatures-at-coupled-cluster-accuracy-2103.13063</loc><lastmod>2021-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/converged-colored-noise-path-integral-molecular-dynamics-study-of-the-zundel-cation-down-to-ultra-low-temperatures-at-coupled-cluster-accuracy-2103.13063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/converged-colored-noise-path-integral-molecular-dynamics-study-of-the-zundel-cation-down-to-ultra-low-temperatures-at-coupled-cluster-accuracy-2103.13063"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-intersystem-crossing-in-the-dna-nucleobase-cytosine-2103.13070</loc><lastmod>2021-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-intersystem-crossing-in-the-dna-nucleobase-cytosine-2103.13070"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-intersystem-crossing-in-the-dna-nucleobase-cytosine-2103.13070"/></url>
<url><loc>https://scifaro.com/en/abs/comparing-the-accuracy-of-high-dimensional-neural-network-potentials-and-the-systematic-molecular-fragmentation-method-a-benchmark-study-for-all-trans-alkanes-2103.13087</loc><lastmod>2021-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparing-the-accuracy-of-high-dimensional-neural-network-potentials-and-the-systematic-molecular-fragmentation-method-a-benchmark-study-for-all-trans-alkanes-2103.13087"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparing-the-accuracy-of-high-dimensional-neural-network-potentials-and-the-systematic-molecular-fragmentation-method-a-benchmark-study-for-all-trans-alkanes-2103.13087"/></url>
<url><loc>https://scifaro.com/en/abs/high-dimensional-neural-network-potentials-for-solvation-the-case-of-protonated-water-clusters-in-helium-2103.13123</loc><lastmod>2021-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-dimensional-neural-network-potentials-for-solvation-the-case-of-protonated-water-clusters-in-helium-2103.13123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-dimensional-neural-network-potentials-for-solvation-the-case-of-protonated-water-clusters-in-helium-2103.13123"/></url>
<url><loc>https://scifaro.com/en/abs/a-singlet-and-triplet-excited-state-dynamics-study-of-the-keto-and-enol-tautomers-of-cytosine-2103.13206</loc><lastmod>2021-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-singlet-and-triplet-excited-state-dynamics-study-of-the-keto-and-enol-tautomers-of-cytosine-2103.13206"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-singlet-and-triplet-excited-state-dynamics-study-of-the-keto-and-enol-tautomers-of-cytosine-2103.13206"/></url>
<url><loc>https://scifaro.com/en/abs/capturing-fingerprints-of-conical-intersection-complementary-information-of-non-adiabatic-dynamics-from-linear-x-ray-probes-2103.13269</loc><lastmod>2021-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/capturing-fingerprints-of-conical-intersection-complementary-information-of-non-adiabatic-dynamics-from-linear-x-ray-probes-2103.13269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/capturing-fingerprints-of-conical-intersection-complementary-information-of-non-adiabatic-dynamics-from-linear-x-ray-probes-2103.13269"/></url>
<url><loc>https://scifaro.com/en/abs/strong-exciton-vibrational-coupling-in-molecular-assemblies-dynamics-using-the-polaron-transformation-in-heom-space-2103.13645</loc><lastmod>2021-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-exciton-vibrational-coupling-in-molecular-assemblies-dynamics-using-the-polaron-transformation-in-heom-space-2103.13645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-exciton-vibrational-coupling-in-molecular-assemblies-dynamics-using-the-polaron-transformation-in-heom-space-2103.13645"/></url>
<url><loc>https://scifaro.com/en/abs/stark-control-of-a-chiral-fluoroethylene-derivative-2103.13786</loc><lastmod>2021-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stark-control-of-a-chiral-fluoroethylene-derivative-2103.13786"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stark-control-of-a-chiral-fluoroethylene-derivative-2103.13786"/></url>
<url><loc>https://scifaro.com/en/abs/approximate-solutions-of-the-fractional-schrodinger-equation-for-the-screened-kratzer-potential-2103.14064</loc><lastmod>2021-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximate-solutions-of-the-fractional-schrodinger-equation-for-the-screened-kratzer-potential-2103.14064"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximate-solutions-of-the-fractional-schrodinger-equation-for-the-screened-kratzer-potential-2103.14064"/></url>
<url><loc>https://scifaro.com/en/abs/quantitative-prediction-on-the-enantioselectivity-of-multiple-chiral-iodoarene-scaffolds-based-on-whole-geometry-2103.14065</loc><lastmod>2021-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantitative-prediction-on-the-enantioselectivity-of-multiple-chiral-iodoarene-scaffolds-based-on-whole-geometry-2103.14065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantitative-prediction-on-the-enantioselectivity-of-multiple-chiral-iodoarene-scaffolds-based-on-whole-geometry-2103.14065"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-ring-polymer-molecular-dynamics-with-spin-mapping-variables-2103.14119</loc><lastmod>2021-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-ring-polymer-molecular-dynamics-with-spin-mapping-variables-2103.14119"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-ring-polymer-molecular-dynamics-with-spin-mapping-variables-2103.14119"/></url>
<url><loc>https://scifaro.com/en/abs/basis-set-convergence-and-extrapolation-of-connected-triple-excitation-contributions-t-in-computational-thermochemistry-the-w4-17-benchmark-with-up-to-k-functions-2103.14370</loc><lastmod>2022-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/basis-set-convergence-and-extrapolation-of-connected-triple-excitation-contributions-t-in-computational-thermochemistry-the-w4-17-benchmark-with-up-to-k-functions-2103.14370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/basis-set-convergence-and-extrapolation-of-connected-triple-excitation-contributions-t-in-computational-thermochemistry-the-w4-17-benchmark-with-up-to-k-functions-2103.14370"/></url>
<url><loc>https://scifaro.com/en/abs/infusing-theory-into-deep-learning-for-interpretable-reactivity-prediction-2103.15210</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infusing-theory-into-deep-learning-for-interpretable-reactivity-prediction-2103.15210"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infusing-theory-into-deep-learning-for-interpretable-reactivity-prediction-2103.15210"/></url>
<url><loc>https://scifaro.com/en/abs/importance-of-van-der-waals-interactions-in-hydrogen-adsorption-on-a-silicon-carbide-nanotube-revisited-with-vdw-dft-and-quantum-monte-carlo-2103.15377</loc><lastmod>2021-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/importance-of-van-der-waals-interactions-in-hydrogen-adsorption-on-a-silicon-carbide-nanotube-revisited-with-vdw-dft-and-quantum-monte-carlo-2103.15377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/importance-of-van-der-waals-interactions-in-hydrogen-adsorption-on-a-silicon-carbide-nanotube-revisited-with-vdw-dft-and-quantum-monte-carlo-2103.15377"/></url>
<url><loc>https://scifaro.com/en/abs/vacuum-uv-photodesorption-from-compact-amorphous-solid-water-photon-energy-isotopic-and-temperature-effects-2103.15435</loc><lastmod>2021-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vacuum-uv-photodesorption-from-compact-amorphous-solid-water-photon-energy-isotopic-and-temperature-effects-2103.15435"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vacuum-uv-photodesorption-from-compact-amorphous-solid-water-photon-energy-isotopic-and-temperature-effects-2103.15435"/></url>
<url><loc>https://scifaro.com/en/abs/force-induced-catastrophes-on-energy-landscapes-mechanochemical-manipulation-of-downhill-and-uphill-bifurcations-explains-ring-opening-selectivity-of-cyclopropanes-2103.15517</loc><lastmod>2021-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/force-induced-catastrophes-on-energy-landscapes-mechanochemical-manipulation-of-downhill-and-uphill-bifurcations-explains-ring-opening-selectivity-of-cyclopropanes-2103.15517"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/force-induced-catastrophes-on-energy-landscapes-mechanochemical-manipulation-of-downhill-and-uphill-bifurcations-explains-ring-opening-selectivity-of-cyclopropanes-2103.15517"/></url>
<url><loc>https://scifaro.com/en/abs/gw100-a-slater-type-orbital-perspective-2103.15762</loc><lastmod>2021-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gw100-a-slater-type-orbital-perspective-2103.15762"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gw100-a-slater-type-orbital-perspective-2103.15762"/></url>
<url><loc>https://scifaro.com/en/abs/superreaction-the-collective-enhancement-of-a-reaction-rate-by-molecular-polaritons-in-the-presence-of-energy-fluctuations-2103.16166</loc><lastmod>2021-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/superreaction-the-collective-enhancement-of-a-reaction-rate-by-molecular-polaritons-in-the-presence-of-energy-fluctuations-2103.16166"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/superreaction-the-collective-enhancement-of-a-reaction-rate-by-molecular-polaritons-in-the-presence-of-energy-fluctuations-2103.16166"/></url>
<url><loc>https://scifaro.com/en/abs/elastic-collision-based-dynamic-partitioning-scheme-for-hybrid-simulations-2103.16342</loc><lastmod>2022-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elastic-collision-based-dynamic-partitioning-scheme-for-hybrid-simulations-2103.16342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elastic-collision-based-dynamic-partitioning-scheme-for-hybrid-simulations-2103.16342"/></url>
<url><loc>https://scifaro.com/en/abs/the-influence-of-cations-on-the-dipole-moments-of-neighboring-polar-molecules-2103.16358</loc><lastmod>2021-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-influence-of-cations-on-the-dipole-moments-of-neighboring-polar-molecules-2103.16358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-influence-of-cations-on-the-dipole-moments-of-neighboring-polar-molecules-2103.16358"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-interactions-induced-by-a-static-electric-field-in-quantum-mechanics-and-quantum-electrodynamics-2103.16396</loc><lastmod>2022-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-interactions-induced-by-a-static-electric-field-in-quantum-mechanics-and-quantum-electrodynamics-2103.16396"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-interactions-induced-by-a-static-electric-field-in-quantum-mechanics-and-quantum-electrodynamics-2103.16396"/></url>
<url><loc>https://scifaro.com/en/abs/comprehensive-quantum-framework-for-describing-retarded-and-non-retarded-molecular-interactions-in-external-electric-fields-2103.16410</loc><lastmod>2022-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comprehensive-quantum-framework-for-describing-retarded-and-non-retarded-molecular-interactions-in-external-electric-fields-2103.16410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comprehensive-quantum-framework-for-describing-retarded-and-non-retarded-molecular-interactions-in-external-electric-fields-2103.16410"/></url>
<url><loc>https://scifaro.com/en/abs/embedded-equation-of-motion-coupled-cluster-theory-for-electronic-excitation-ionization-electron-attachment-and-electronic-resonances-2103.16513</loc><lastmod>2021-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/embedded-equation-of-motion-coupled-cluster-theory-for-electronic-excitation-ionization-electron-attachment-and-electronic-resonances-2103.16513"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/embedded-equation-of-motion-coupled-cluster-theory-for-electronic-excitation-ionization-electron-attachment-and-electronic-resonances-2103.16513"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-electrical-conduction-and-nanopore-formation-during-controlled-breakdown-2103.16667</loc><lastmod>2021-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-electrical-conduction-and-nanopore-formation-during-controlled-breakdown-2103.16667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-electrical-conduction-and-nanopore-formation-during-controlled-breakdown-2103.16667"/></url>
<url><loc>https://scifaro.com/en/abs/deciphering-water-solid-reactions-during-hydrothermal-corrosion-of-sic-2103.16738</loc><lastmod>2021-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deciphering-water-solid-reactions-during-hydrothermal-corrosion-of-sic-2103.16738"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deciphering-water-solid-reactions-during-hydrothermal-corrosion-of-sic-2103.16738"/></url>
<url><loc>https://scifaro.com/en/abs/transmission-line-circuit-and-equation-for-an-electrolyte-filled-pore-of-finite-length-2103.16914</loc><lastmod>2021-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transmission-line-circuit-and-equation-for-an-electrolyte-filled-pore-of-finite-length-2103.16914"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transmission-line-circuit-and-equation-for-an-electrolyte-filled-pore-of-finite-length-2103.16914"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-reaction-inhibition-in-nanoparticle-catalysis-2103.17011</loc><lastmod>2021-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-reaction-inhibition-in-nanoparticle-catalysis-2103.17011"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-reaction-inhibition-in-nanoparticle-catalysis-2103.17011"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-random-structure-searching-for-battery-cathode-materials-2104.00441</loc><lastmod>2021-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-random-structure-searching-for-battery-cathode-materials-2104.00441"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-random-structure-searching-for-battery-cathode-materials-2104.00441"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-singlet-triplet-gaps-in-biradicals-via-the-spin-averaged-anti-hermitian-contracted-schr-odinger-equation-2104.00626</loc><lastmod>2021-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-singlet-triplet-gaps-in-biradicals-via-the-spin-averaged-anti-hermitian-contracted-schr-odinger-equation-2104.00626"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-singlet-triplet-gaps-in-biradicals-via-the-spin-averaged-anti-hermitian-contracted-schr-odinger-equation-2104.00626"/></url>
<url><loc>https://scifaro.com/en/abs/active-learning-of-potential-energy-surfaces-of-weakly-bound-complexes-with-regression-tree-ensembles-2104.00708</loc><lastmod>2021-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/active-learning-of-potential-energy-surfaces-of-weakly-bound-complexes-with-regression-tree-ensembles-2104.00708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/active-learning-of-potential-energy-surfaces-of-weakly-bound-complexes-with-regression-tree-ensembles-2104.00708"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-dynamics-with-the-exact-factorization-2104.00738</loc><lastmod>2021-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-dynamics-with-the-exact-factorization-2104.00738"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-dynamics-with-the-exact-factorization-2104.00738"/></url>
<url><loc>https://scifaro.com/en/abs/nonlocal-pseudopotentials-and-time-step-errors-in-diffusion-monte-carlo-2104.00797</loc><lastmod>2021-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlocal-pseudopotentials-and-time-step-errors-in-diffusion-monte-carlo-2104.00797"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlocal-pseudopotentials-and-time-step-errors-in-diffusion-monte-carlo-2104.00797"/></url>
<url><loc>https://scifaro.com/en/abs/tighter-bounds-on-transient-moments-of-stochastic-chemical-systems-2104.01309</loc><lastmod>2021-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tighter-bounds-on-transient-moments-of-stochastic-chemical-systems-2104.01309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tighter-bounds-on-transient-moments-of-stochastic-chemical-systems-2104.01309"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-sampling-of-high-dimensional-free-energy-landscapes-using-adaptive-reinforced-dynamics-2104.01620</loc><lastmod>2021-12-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-sampling-of-high-dimensional-free-energy-landscapes-using-adaptive-reinforced-dynamics-2104.01620"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-sampling-of-high-dimensional-free-energy-landscapes-using-adaptive-reinforced-dynamics-2104.01620"/></url>
<url><loc>https://scifaro.com/en/abs/roaming-pathways-and-survival-probability-in-real-time-collisional-dynamics-of-cold-and-controlled-bialkali-molecules-2104.01625</loc><lastmod>2021-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/roaming-pathways-and-survival-probability-in-real-time-collisional-dynamics-of-cold-and-controlled-bialkali-molecules-2104.01625"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/roaming-pathways-and-survival-probability-in-real-time-collisional-dynamics-of-cold-and-controlled-bialkali-molecules-2104.01625"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-vertical-ionization-energy-and-work-function-determinations-of-liquid-water-and-aqueous-solutions-2104.01630</loc><lastmod>2021-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-vertical-ionization-energy-and-work-function-determinations-of-liquid-water-and-aqueous-solutions-2104.01630"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-vertical-ionization-energy-and-work-function-determinations-of-liquid-water-and-aqueous-solutions-2104.01630"/></url>
<url><loc>https://scifaro.com/en/abs/imaging-charge-migration-in-chiral-molecules-using-time-resolved-x-ray-diffraction-2104.01760</loc><lastmod>2021-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-charge-migration-in-chiral-molecules-using-time-resolved-x-ray-diffraction-2104.01760"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-charge-migration-in-chiral-molecules-using-time-resolved-x-ray-diffraction-2104.01760"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-neural-network-algorithm-in-propylene-distillation-2104.01774</loc><lastmod>2021-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-neural-network-algorithm-in-propylene-distillation-2104.01774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-neural-network-algorithm-in-propylene-distillation-2104.01774"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-in-interpretation-of-electronic-core-level-spectra-2104.02374</loc><lastmod>2022-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-in-interpretation-of-electronic-core-level-spectra-2104.02374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-in-interpretation-of-electronic-core-level-spectra-2104.02374"/></url>
<url><loc>https://scifaro.com/en/abs/chemdyme-kinetically-steered-automated-mechanism-generation-through-combined-molecular-dynamics-and-master-equation-calculations-2104.02389</loc><lastmod>2021-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemdyme-kinetically-steered-automated-mechanism-generation-through-combined-molecular-dynamics-and-master-equation-calculations-2104.02389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemdyme-kinetically-steered-automated-mechanism-generation-through-combined-molecular-dynamics-and-master-equation-calculations-2104.02389"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-optimization-in-selected-configuration-interaction-methods-2104.02587</loc><lastmod>2021-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-optimization-in-selected-configuration-interaction-methods-2104.02587"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-optimization-in-selected-configuration-interaction-methods-2104.02587"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-imaginary-term-in-the-2nd-order-nonlinear-susceptibility-from-charged-interfaces-2104.02802</loc><lastmod>2021-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-imaginary-term-in-the-2nd-order-nonlinear-susceptibility-from-charged-interfaces-2104.02802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-imaginary-term-in-the-2nd-order-nonlinear-susceptibility-from-charged-interfaces-2104.02802"/></url>
<url><loc>https://scifaro.com/en/abs/fluorescence-detected-mid-infrared-photothermal-microscopy-2104.02900</loc><lastmod>2021-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fluorescence-detected-mid-infrared-photothermal-microscopy-2104.02900"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fluorescence-detected-mid-infrared-photothermal-microscopy-2104.02900"/></url>
<url><loc>https://scifaro.com/en/abs/mechanisms-of-molecular-ferroelectrics-made-simple-2104.02917</loc><lastmod>2021-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanisms-of-molecular-ferroelectrics-made-simple-2104.02917"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanisms-of-molecular-ferroelectrics-made-simple-2104.02917"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-gibbs-thomson-equation-for-the-crystallization-of-confined-fluids-2104.03028</loc><lastmod>2021-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-gibbs-thomson-equation-for-the-crystallization-of-confined-fluids-2104.03028"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-gibbs-thomson-equation-for-the-crystallization-of-confined-fluids-2104.03028"/></url>
<url><loc>https://scifaro.com/en/abs/measuring-time-dependent-induced-quantum-coherences-via-two-dimensional-coherence-spectroscopy-2104.03041</loc><lastmod>2022-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-time-dependent-induced-quantum-coherences-via-two-dimensional-coherence-spectroscopy-2104.03041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-time-dependent-induced-quantum-coherences-via-two-dimensional-coherence-spectroscopy-2104.03041"/></url>
<url><loc>https://scifaro.com/en/abs/catalytic-synthesis-of-c-2-c-4-alkenes-from-dimethyl-ether-2104.03173</loc><lastmod>2021-04-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catalytic-synthesis-of-c-2-c-4-alkenes-from-dimethyl-ether-2104.03173"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catalytic-synthesis-of-c-2-c-4-alkenes-from-dimethyl-ether-2104.03173"/></url>
<url><loc>https://scifaro.com/en/abs/a-second-order-casscf-algorithm-with-the-cholesky-decomposition-of-the-two-electron-integrals-2104.03556</loc><lastmod>2021-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-second-order-casscf-algorithm-with-the-cholesky-decomposition-of-the-two-electron-integrals-2104.03556"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-second-order-casscf-algorithm-with-the-cholesky-decomposition-of-the-two-electron-integrals-2104.03556"/></url>
<url><loc>https://scifaro.com/en/abs/excited-states-from-state-specific-orbital-optimized-pair-coupled-cluster-2104.03746</loc><lastmod>2021-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-states-from-state-specific-orbital-optimized-pair-coupled-cluster-2104.03746"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-states-from-state-specific-orbital-optimized-pair-coupled-cluster-2104.03746"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-the-decoherence-correction-derived-from-the-exact-factorization-approach-for-non-adiabatic-dynamics-2104.04025</loc><lastmod>2021-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-the-decoherence-correction-derived-from-the-exact-factorization-approach-for-non-adiabatic-dynamics-2104.04025"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-the-decoherence-correction-derived-from-the-exact-factorization-approach-for-non-adiabatic-dynamics-2104.04025"/></url>
<url><loc>https://scifaro.com/en/abs/optical-absorption-and-photocurrent-spectroscopy-for-investigating-important-length-scales-in-molecular-electronics-2104.04031</loc><lastmod>2021-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-absorption-and-photocurrent-spectroscopy-for-investigating-important-length-scales-in-molecular-electronics-2104.04031"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-absorption-and-photocurrent-spectroscopy-for-investigating-important-length-scales-in-molecular-electronics-2104.04031"/></url>
<url><loc>https://scifaro.com/en/abs/2d-ir-spectroscopy-of-catalytic-monolayers-2104.04032</loc><lastmod>2021-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/2d-ir-spectroscopy-of-catalytic-monolayers-2104.04032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/2d-ir-spectroscopy-of-catalytic-monolayers-2104.04032"/></url>
<url><loc>https://scifaro.com/en/abs/nucleus-electron-correlation-revising-molecular-bonding-fingerprints-from-the-exact-wavefunction-factorization-2104.04346</loc><lastmod>2021-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nucleus-electron-correlation-revising-molecular-bonding-fingerprints-from-the-exact-wavefunction-factorization-2104.04346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nucleus-electron-correlation-revising-molecular-bonding-fingerprints-from-the-exact-wavefunction-factorization-2104.04346"/></url>
<url><loc>https://scifaro.com/en/abs/noncovalent-interactions-from-models-for-the-m-o-ller-plesset-adiabatic-connection-2104.04793</loc><lastmod>2021-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noncovalent-interactions-from-models-for-the-m-o-ller-plesset-adiabatic-connection-2104.04793"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noncovalent-interactions-from-models-for-the-m-o-ller-plesset-adiabatic-connection-2104.04793"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-atomistic-simulations-of-the-cp29-light-harvesting-complex-2104.05034</loc><lastmod>2021-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-atomistic-simulations-of-the-cp29-light-harvesting-complex-2104.05034"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-atomistic-simulations-of-the-cp29-light-harvesting-complex-2104.05034"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-variance-analysis-of-molecular-dynamics-simulations-by-linear-combination-of-estimators-2104.05038</loc><lastmod>2021-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-variance-analysis-of-molecular-dynamics-simulations-by-linear-combination-of-estimators-2104.05038"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-variance-analysis-of-molecular-dynamics-simulations-by-linear-combination-of-estimators-2104.05038"/></url>
<url><loc>https://scifaro.com/en/abs/mechanism-of-indirect-photon-induced-desorption-at-the-water-ice-surface-2104.05567</loc><lastmod>2021-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanism-of-indirect-photon-induced-desorption-at-the-water-ice-surface-2104.05567"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanism-of-indirect-photon-induced-desorption-at-the-water-ice-surface-2104.05567"/></url>
<url><loc>https://scifaro.com/en/abs/reconciling-experimental-and-theoretical-vibrational-deactivation-in-low-energy-o-n-2-collisions-2104.06068</loc><lastmod>2021-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reconciling-experimental-and-theoretical-vibrational-deactivation-in-low-energy-o-n-2-collisions-2104.06068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reconciling-experimental-and-theoretical-vibrational-deactivation-in-low-energy-o-n-2-collisions-2104.06068"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-the-characteristics-of-quantum-chemical-databases-on-machine-learning-predictions-of-tautomerization-energies-2104.06099</loc><lastmod>2023-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-the-characteristics-of-quantum-chemical-databases-on-machine-learning-predictions-of-tautomerization-energies-2104.06099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-the-characteristics-of-quantum-chemical-databases-on-machine-learning-predictions-of-tautomerization-energies-2104.06099"/></url>
<url><loc>https://scifaro.com/en/abs/highly-heterogeneous-polarization-and-solvation-of-gold-nanoparticles-in-aqueous-electrolytes-2104.06250</loc><lastmod>2021-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-heterogeneous-polarization-and-solvation-of-gold-nanoparticles-in-aqueous-electrolytes-2104.06250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-heterogeneous-polarization-and-solvation-of-gold-nanoparticles-in-aqueous-electrolytes-2104.06250"/></url>
<url><loc>https://scifaro.com/en/abs/taming-the-sign-problem-in-auxiliary-field-quantum-monte-carlo-using-accurate-trial-wave-functions-2104.06597</loc><lastmod>2021-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/taming-the-sign-problem-in-auxiliary-field-quantum-monte-carlo-using-accurate-trial-wave-functions-2104.06597"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/taming-the-sign-problem-in-auxiliary-field-quantum-monte-carlo-using-accurate-trial-wave-functions-2104.06597"/></url>
<url><loc>https://scifaro.com/en/abs/correlated-vibration-solvent-effects-on-the-non-condon-exciton-spectroscopy-2104.06786</loc><lastmod>2021-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlated-vibration-solvent-effects-on-the-non-condon-exciton-spectroscopy-2104.06786"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlated-vibration-solvent-effects-on-the-non-condon-exciton-spectroscopy-2104.06786"/></url>
<url><loc>https://scifaro.com/en/abs/correlated-particle-motion-and-thz-spectral-response-of-supercritical-water-2104.06888</loc><lastmod>2021-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlated-particle-motion-and-thz-spectral-response-of-supercritical-water-2104.06888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlated-particle-motion-and-thz-spectral-response-of-supercritical-water-2104.06888"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-adapted-perturbation-theory-based-on-multiconfigurational-wave-function-description-of-monomers-2104.06891</loc><lastmod>2021-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-adapted-perturbation-theory-based-on-multiconfigurational-wave-function-description-of-monomers-2104.06891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-adapted-perturbation-theory-based-on-multiconfigurational-wave-function-description-of-monomers-2104.06891"/></url>
<url><loc>https://scifaro.com/en/abs/simple-exchange-correlation-energy-functionals-for-strongly-coupled-light-matter-systems-based-on-the-fluctuation-dissipation-theorem-2104.06980</loc><lastmod>2022-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-exchange-correlation-energy-functionals-for-strongly-coupled-light-matter-systems-based-on-the-fluctuation-dissipation-theorem-2104.06980"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-exchange-correlation-energy-functionals-for-strongly-coupled-light-matter-systems-based-on-the-fluctuation-dissipation-theorem-2104.06980"/></url>
<url><loc>https://scifaro.com/en/abs/multifunctional-photoresponsive-organic-molecule-for-electric-field-sensing-and-modulation-2104.06992</loc><lastmod>2021-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multifunctional-photoresponsive-organic-molecule-for-electric-field-sensing-and-modulation-2104.06992"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multifunctional-photoresponsive-organic-molecule-for-electric-field-sensing-and-modulation-2104.06992"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-discrete-truncated-wigner-approximation-for-nonadiabtic-quantum-classical-dynamics-2104.07139</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-discrete-truncated-wigner-approximation-for-nonadiabtic-quantum-classical-dynamics-2104.07139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-discrete-truncated-wigner-approximation-for-nonadiabtic-quantum-classical-dynamics-2104.07139"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-inclusion-of-one-double-within-cis-and-td-dft-2104.07154</loc><lastmod>2022-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-inclusion-of-one-double-within-cis-and-td-dft-2104.07154"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-inclusion-of-one-double-within-cis-and-td-dft-2104.07154"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-approach-for-correcting-noncovalent-interactions-in-semiempirical-quantum-mechanical-methods-the-importance-of-multiple-orientation-sampling-2104.07370</loc><lastmod>2021-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-approach-for-correcting-noncovalent-interactions-in-semiempirical-quantum-mechanical-methods-the-importance-of-multiple-orientation-sampling-2104.07370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-approach-for-correcting-noncovalent-interactions-in-semiempirical-quantum-mechanical-methods-the-importance-of-multiple-orientation-sampling-2104.07370"/></url>
<url><loc>https://scifaro.com/en/abs/a-multiconfigurational-pair-density-functional-theory-approach-to-molecular-junctions-2104.07744</loc><lastmod>2021-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multiconfigurational-pair-density-functional-theory-approach-to-molecular-junctions-2104.07744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multiconfigurational-pair-density-functional-theory-approach-to-molecular-junctions-2104.07744"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-approaches-to-learn-hychem-models-2104.07875</loc><lastmod>2023-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-approaches-to-learn-hychem-models-2104.07875"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-approaches-to-learn-hychem-models-2104.07875"/></url>
<url><loc>https://scifaro.com/en/abs/computing-the-local-ion-concentration-variations-for-electric-double-layer-modulation-microscopy-2104.07907</loc><lastmod>2021-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computing-the-local-ion-concentration-variations-for-electric-double-layer-modulation-microscopy-2104.07907"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computing-the-local-ion-concentration-variations-for-electric-double-layer-modulation-microscopy-2104.07907"/></url>
<url><loc>https://scifaro.com/en/abs/the-origin-of-the-e-z-isomer-ratio-of-imines-in-the-interstellar-medium-2104.07913</loc><lastmod>2021-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-origin-of-the-e-z-isomer-ratio-of-imines-in-the-interstellar-medium-2104.07913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-origin-of-the-e-z-isomer-ratio-of-imines-in-the-interstellar-medium-2104.07913"/></url>
<url><loc>https://scifaro.com/en/abs/the-millimeter-wave-spectrum-of-doubly-deuterated-propylene-oxide-ch-3-chcd-2-o-2104.08151</loc><lastmod>2021-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-millimeter-wave-spectrum-of-doubly-deuterated-propylene-oxide-ch-3-chcd-2-o-2104.08151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-millimeter-wave-spectrum-of-doubly-deuterated-propylene-oxide-ch-3-chcd-2-o-2104.08151"/></url>
<url><loc>https://scifaro.com/en/abs/spontaneous-electron-emission-versus-dissociation-in-internally-hot-silver-dimer-anions-2104.08486</loc><lastmod>2021-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spontaneous-electron-emission-versus-dissociation-in-internally-hot-silver-dimer-anions-2104.08486"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spontaneous-electron-emission-versus-dissociation-in-internally-hot-silver-dimer-anions-2104.08486"/></url>
<url><loc>https://scifaro.com/en/abs/intermittent-current-interruption-method-for-commercial-lithium-ion-batteries-aging-characterization-2104.09260</loc><lastmod>2021-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intermittent-current-interruption-method-for-commercial-lithium-ion-batteries-aging-characterization-2104.09260"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intermittent-current-interruption-method-for-commercial-lithium-ion-batteries-aging-characterization-2104.09260"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-a-black-box-type-rovibrational-method-in-comparison-with-a-tailor-made-approach-case-study-for-the-methane-water-dimer-2104.09347</loc><lastmod>2021-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-a-black-box-type-rovibrational-method-in-comparison-with-a-tailor-made-approach-case-study-for-the-methane-water-dimer-2104.09347"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-a-black-box-type-rovibrational-method-in-comparison-with-a-tailor-made-approach-case-study-for-the-methane-water-dimer-2104.09347"/></url>
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<url><loc>https://scifaro.com/en/abs/freezing-molecules-with-light-how-long-can-one-maintain-a-non-equilibrium-molecular-geometry-by-strong-light-matter-coupling-2104.09631</loc><lastmod>2021-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/freezing-molecules-with-light-how-long-can-one-maintain-a-non-equilibrium-molecular-geometry-by-strong-light-matter-coupling-2104.09631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/freezing-molecules-with-light-how-long-can-one-maintain-a-non-equilibrium-molecular-geometry-by-strong-light-matter-coupling-2104.09631"/></url>
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<url><loc>https://scifaro.com/en/abs/genesis-of-polyatomic-molecules-in-dark-clouds-co-2-formation-on-cold-amorphous-solid-water-2104.11499</loc><lastmod>2021-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/genesis-of-polyatomic-molecules-in-dark-clouds-co-2-formation-on-cold-amorphous-solid-water-2104.11499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/genesis-of-polyatomic-molecules-in-dark-clouds-co-2-formation-on-cold-amorphous-solid-water-2104.11499"/></url>
<url><loc>https://scifaro.com/en/abs/chemistrees-data-driven-identification-of-reaction-pathways-via-machine-learning-2104.11728</loc><lastmod>2021-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemistrees-data-driven-identification-of-reaction-pathways-via-machine-learning-2104.11728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemistrees-data-driven-identification-of-reaction-pathways-via-machine-learning-2104.11728"/></url>
<url><loc>https://scifaro.com/en/abs/natural-orbital-representation-of-molecular-electronic-transitions-2104.11947</loc><lastmod>2022-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/natural-orbital-representation-of-molecular-electronic-transitions-2104.11947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/natural-orbital-representation-of-molecular-electronic-transitions-2104.11947"/></url>
<url><loc>https://scifaro.com/en/abs/a-theoretical-framework-for-the-electrochemical-characterization-of-anisotropic-micro-emulsions-2104.12342</loc><lastmod>2021-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-theoretical-framework-for-the-electrochemical-characterization-of-anisotropic-micro-emulsions-2104.12342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-theoretical-framework-for-the-electrochemical-characterization-of-anisotropic-micro-emulsions-2104.12342"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-quantum-chemical-metrics-on-the-machine-learning-prediction-of-electron-density-2104.12457</loc><lastmod>2021-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-quantum-chemical-metrics-on-the-machine-learning-prediction-of-electron-density-2104.12457"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-quantum-chemical-metrics-on-the-machine-learning-prediction-of-electron-density-2104.12457"/></url>
<url><loc>https://scifaro.com/en/abs/decomposed-mean-field-simulations-of-local-properties-in-condensed-phases-2104.12480</loc><lastmod>2021-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decomposed-mean-field-simulations-of-local-properties-in-condensed-phases-2104.12480"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decomposed-mean-field-simulations-of-local-properties-in-condensed-phases-2104.12480"/></url>
<url><loc>https://scifaro.com/en/abs/valorization-of-incinerator-bottom-ash-for-the-production-of-resource-efficient-eco-friendly-concrete-performance-and-toxicological-characterization-2104.12497</loc><lastmod>2021-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/valorization-of-incinerator-bottom-ash-for-the-production-of-resource-efficient-eco-friendly-concrete-performance-and-toxicological-characterization-2104.12497"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/valorization-of-incinerator-bottom-ash-for-the-production-of-resource-efficient-eco-friendly-concrete-performance-and-toxicological-characterization-2104.12497"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-fluorescence-depolarization-in-conjugated-polymers-2104.12614</loc><lastmod>2021-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-fluorescence-depolarization-in-conjugated-polymers-2104.12614"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-fluorescence-depolarization-in-conjugated-polymers-2104.12614"/></url>
<url><loc>https://scifaro.com/en/abs/physical-modelling-of-the-slow-voltage-relaxation-phenomenon-in-lithium-ion-batteries-2104.12626</loc><lastmod>2021-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physical-modelling-of-the-slow-voltage-relaxation-phenomenon-in-lithium-ion-batteries-2104.12626"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physical-modelling-of-the-slow-voltage-relaxation-phenomenon-in-lithium-ion-batteries-2104.12626"/></url>
<url><loc>https://scifaro.com/en/abs/interpretation-of-multiple-solutions-in-fully-iterative-gf2-and-gw-schemes-using-local-analysis-of-two-particle-density-matrices-2104.12751</loc><lastmod>2021-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpretation-of-multiple-solutions-in-fully-iterative-gf2-and-gw-schemes-using-local-analysis-of-two-particle-density-matrices-2104.12751"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpretation-of-multiple-solutions-in-fully-iterative-gf2-and-gw-schemes-using-local-analysis-of-two-particle-density-matrices-2104.12751"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-and-numerical-study-on-the-effect-of-oxymethylene-ether-3-ome3-on-soot-particle-formation-2104.12873</loc><lastmod>2022-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-and-numerical-study-on-the-effect-of-oxymethylene-ether-3-ome3-on-soot-particle-formation-2104.12873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-and-numerical-study-on-the-effect-of-oxymethylene-ether-3-ome3-on-soot-particle-formation-2104.12873"/></url>
<url><loc>https://scifaro.com/en/abs/water-as-a-levy-rotor-2104.12897</loc><lastmod>2022-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-as-a-levy-rotor-2104.12897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-as-a-levy-rotor-2104.12897"/></url>
<url><loc>https://scifaro.com/en/abs/catacondensed-chemical-hexagonal-complexes-a-natural-generalisation-of-benzenoids-2104.13290</loc><lastmod>2021-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catacondensed-chemical-hexagonal-complexes-a-natural-generalisation-of-benzenoids-2104.13290"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catacondensed-chemical-hexagonal-complexes-a-natural-generalisation-of-benzenoids-2104.13290"/></url>
<url><loc>https://scifaro.com/en/abs/entropic-decay-of-an-epidemic-towards-herd-immunity-2104.13357</loc><lastmod>2022-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entropic-decay-of-an-epidemic-towards-herd-immunity-2104.13357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entropic-decay-of-an-epidemic-towards-herd-immunity-2104.13357"/></url>
<url><loc>https://scifaro.com/en/abs/boundary-values-for-the-charge-transferred-during-an-electronic-transition-insights-from-matrix-analysis-2104.13465</loc><lastmod>2026-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/boundary-values-for-the-charge-transferred-during-an-electronic-transition-insights-from-matrix-analysis-2104.13465"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/boundary-values-for-the-charge-transferred-during-an-electronic-transition-insights-from-matrix-analysis-2104.13465"/></url>
<url><loc>https://scifaro.com/en/abs/auxiliary-many-body-wavefunctions-for-tddfrt-electronic-excited-states-consequences-for-the-representation-of-molecular-electronic-transitions-2104.13616</loc><lastmod>2025-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/auxiliary-many-body-wavefunctions-for-tddfrt-electronic-excited-states-consequences-for-the-representation-of-molecular-electronic-transitions-2104.13616"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/auxiliary-many-body-wavefunctions-for-tddfrt-electronic-excited-states-consequences-for-the-representation-of-molecular-electronic-transitions-2104.13616"/></url>
<url><loc>https://scifaro.com/en/abs/modelling-the-non-local-thermodynamic-equilibrium-spectra-of-silylene-sih2-2104.14027</loc><lastmod>2021-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modelling-the-non-local-thermodynamic-equilibrium-spectra-of-silylene-sih2-2104.14027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modelling-the-non-local-thermodynamic-equilibrium-spectra-of-silylene-sih2-2104.14027"/></url>
<url><loc>https://scifaro.com/en/abs/nucleophilic-substitution-vs-elimination-reaction-of-bisulfide-ions-with-substituted-methanes-exploration-of-chiral-selectivity-by-stereodirectional-first-principles-dynamics-and-transition-state-theory-2104.14292</loc><lastmod>2021-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nucleophilic-substitution-vs-elimination-reaction-of-bisulfide-ions-with-substituted-methanes-exploration-of-chiral-selectivity-by-stereodirectional-first-principles-dynamics-and-transition-state-theory-2104.14292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nucleophilic-substitution-vs-elimination-reaction-of-bisulfide-ions-with-substituted-methanes-exploration-of-chiral-selectivity-by-stereodirectional-first-principles-dynamics-and-transition-state-theory-2104.14292"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-liquid-water-by-climbing-up-jacob-s-ladder-in-density-functional-theory-facilitated-by-using-deep-neural-network-potentials-2104.14410</loc><lastmod>2021-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-liquid-water-by-climbing-up-jacob-s-ladder-in-density-functional-theory-facilitated-by-using-deep-neural-network-potentials-2104.14410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-liquid-water-by-climbing-up-jacob-s-ladder-in-density-functional-theory-facilitated-by-using-deep-neural-network-potentials-2104.14410"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-vibrational-frequencies-from-analytic-hessian-of-constrained-nuclear-electronic-orbital-density-functional-theory-2104.14673</loc><lastmod>2021-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-vibrational-frequencies-from-analytic-hessian-of-constrained-nuclear-electronic-orbital-density-functional-theory-2104.14673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-vibrational-frequencies-from-analytic-hessian-of-constrained-nuclear-electronic-orbital-density-functional-theory-2104.14673"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-molecular-dynamics-with-screened-lorentz-forces-part-i-calculation-and-atomic-charge-interpretation-of-berry-curvature-2104.14861</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-with-screened-lorentz-forces-part-i-calculation-and-atomic-charge-interpretation-of-berry-curvature-2104.14861"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-with-screened-lorentz-forces-part-i-calculation-and-atomic-charge-interpretation-of-berry-curvature-2104.14861"/></url>
<url><loc>https://scifaro.com/en/abs/material-surface-analyte-interactions-with-similar-energy-rates-vary-as-univariate-quadratic-function-of-topological-polar-surface-area-of-analytes-2104.14867</loc><lastmod>2025-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/material-surface-analyte-interactions-with-similar-energy-rates-vary-as-univariate-quadratic-function-of-topological-polar-surface-area-of-analytes-2104.14867"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/material-surface-analyte-interactions-with-similar-energy-rates-vary-as-univariate-quadratic-function-of-topological-polar-surface-area-of-analytes-2104.14867"/></url>
<url><loc>https://scifaro.com/en/abs/generating-triplets-in-organic-semiconductor-tetracene-upon-photoexcitation-of-transition-metal-dichalcogenide-res-2-2104.15095</loc><lastmod>2021-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generating-triplets-in-organic-semiconductor-tetracene-upon-photoexcitation-of-transition-metal-dichalcogenide-res-2-2104.15095"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generating-triplets-in-organic-semiconductor-tetracene-upon-photoexcitation-of-transition-metal-dichalcogenide-res-2-2104.15095"/></url>
<url><loc>https://scifaro.com/en/abs/energy-efficient-pathway-for-selectively-exciting-solute-molecules-to-high-vibrational-states-via-solvent-vibration-polariton-pumping-2104.15121</loc><lastmod>2022-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-efficient-pathway-for-selectively-exciting-solute-molecules-to-high-vibrational-states-via-solvent-vibration-polariton-pumping-2104.15121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-efficient-pathway-for-selectively-exciting-solute-molecules-to-high-vibrational-states-via-solvent-vibration-polariton-pumping-2104.15121"/></url>
<url><loc>https://scifaro.com/en/abs/ioi-an-iterative-orbital-interaction-approach-for-solving-the-self-consistent-field-problem-2105.00205</loc><lastmod>2021-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ioi-an-iterative-orbital-interaction-approach-for-solving-the-self-consistent-field-problem-2105.00205"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ioi-an-iterative-orbital-interaction-approach-for-solving-the-self-consistent-field-problem-2105.00205"/></url>
<url><loc>https://scifaro.com/en/abs/spookynet-learning-force-fields-with-electronic-degrees-of-freedom-and-nonlocal-effects-2105.00304</loc><lastmod>2022-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spookynet-learning-force-fields-with-electronic-degrees-of-freedom-and-nonlocal-effects-2105.00304"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spookynet-learning-force-fields-with-electronic-degrees-of-freedom-and-nonlocal-effects-2105.00304"/></url>
<url><loc>https://scifaro.com/en/abs/material-specific-optimization-of-gaussian-basis-sets-against-plane-wave-data-2105.00589</loc><lastmod>2021-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/material-specific-optimization-of-gaussian-basis-sets-against-plane-wave-data-2105.00589"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/material-specific-optimization-of-gaussian-basis-sets-against-plane-wave-data-2105.00589"/></url>
<url><loc>https://scifaro.com/en/abs/ostwald-ripening-in-an-oxide-on-metal-system-2105.01229</loc><lastmod>2024-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ostwald-ripening-in-an-oxide-on-metal-system-2105.01229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ostwald-ripening-in-an-oxide-on-metal-system-2105.01229"/></url>
<url><loc>https://scifaro.com/en/abs/asymptotic-limit-cycle-analysis-of-oscillating-chemical-reactions-2105.01234</loc><lastmod>2021-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymptotic-limit-cycle-analysis-of-oscillating-chemical-reactions-2105.01234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymptotic-limit-cycle-analysis-of-oscillating-chemical-reactions-2105.01234"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-and-quantum-chemical-characterization-of-heavy-carbon-subchalcogenides-infrared-detection-of-sec-3-se-2105.01476</loc><lastmod>2021-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-and-quantum-chemical-characterization-of-heavy-carbon-subchalcogenides-infrared-detection-of-sec-3-se-2105.01476"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-and-quantum-chemical-characterization-of-heavy-carbon-subchalcogenides-infrared-detection-of-sec-3-se-2105.01476"/></url>
<url><loc>https://scifaro.com/en/abs/electrochemical-removal-of-amphoteric-ions-2105.01643</loc><lastmod>2021-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-removal-of-amphoteric-ions-2105.01643"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-removal-of-amphoteric-ions-2105.01643"/></url>
<url><loc>https://scifaro.com/en/abs/the-effect-of-geometry-spin-and-orbital-optimization-in-achieving-accurate-fully-correlated-results-for-iron-sulfur-cubanes-2105.01754</loc><lastmod>2022-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effect-of-geometry-spin-and-orbital-optimization-in-achieving-accurate-fully-correlated-results-for-iron-sulfur-cubanes-2105.01754"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effect-of-geometry-spin-and-orbital-optimization-in-achieving-accurate-fully-correlated-results-for-iron-sulfur-cubanes-2105.01754"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-prediction-of-free-solvation-energy-of-organic-molecules-via-graph-attention-network-and-message-passing-neural-network-from-pairwise-atomistic-interactions-2105.02048</loc><lastmod>2021-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-prediction-of-free-solvation-energy-of-organic-molecules-via-graph-attention-network-and-message-passing-neural-network-from-pairwise-atomistic-interactions-2105.02048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-prediction-of-free-solvation-energy-of-organic-molecules-via-graph-attention-network-and-message-passing-neural-network-from-pairwise-atomistic-interactions-2105.02048"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-entanglement-from-classical-trajectories-2105.02075</loc><lastmod>2024-07-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-entanglement-from-classical-trajectories-2105.02075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-entanglement-from-classical-trajectories-2105.02075"/></url>
<url><loc>https://scifaro.com/en/abs/how-accurate-are-eom-cc4-vertical-excitation-energies-2105.02187</loc><lastmod>2021-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-accurate-are-eom-cc4-vertical-excitation-energies-2105.02187"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-accurate-are-eom-cc4-vertical-excitation-energies-2105.02187"/></url>
<url><loc>https://scifaro.com/en/abs/about-the-computation-of-finite-temperatureensemble-averages-of-hybrid-quantum-classicalsystems-with-molecular-dynamics-2105.02538</loc><lastmod>2021-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/about-the-computation-of-finite-temperatureensemble-averages-of-hybrid-quantum-classicalsystems-with-molecular-dynamics-2105.02538"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/about-the-computation-of-finite-temperatureensemble-averages-of-hybrid-quantum-classicalsystems-with-molecular-dynamics-2105.02538"/></url>
<url><loc>https://scifaro.com/en/abs/dataset-bias-in-the-natural-sciences-a-case-study-in-chemical-reaction-prediction-and-synthesis-design-2105.02637</loc><lastmod>2021-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dataset-bias-in-the-natural-sciences-a-case-study-in-chemical-reaction-prediction-and-synthesis-design-2105.02637"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dataset-bias-in-the-natural-sciences-a-case-study-in-chemical-reaction-prediction-and-synthesis-design-2105.02637"/></url>
<url><loc>https://scifaro.com/en/abs/water-solvation-of-charged-and-neutral-gold-nanoparticles-2105.02925</loc><lastmod>2021-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-solvation-of-charged-and-neutral-gold-nanoparticles-2105.02925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-solvation-of-charged-and-neutral-gold-nanoparticles-2105.02925"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-as-the-key-parameter-affecting-color-purity-of-tadf-emitters-2105.02950</loc><lastmod>2021-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-as-the-key-parameter-affecting-color-purity-of-tadf-emitters-2105.02950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-as-the-key-parameter-affecting-color-purity-of-tadf-emitters-2105.02950"/></url>
<url><loc>https://scifaro.com/en/abs/automekin2021-an-open-source-program-for-automated-reaction-discovery-2105.03078</loc><lastmod>2021-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automekin2021-an-open-source-program-for-automated-reaction-discovery-2105.03078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automekin2021-an-open-source-program-for-automated-reaction-discovery-2105.03078"/></url>
<url><loc>https://scifaro.com/en/abs/quantifying-the-impact-of-vibrational-nonequilibrium-in-plasma-catalysis-insights-from-a-molecular-dynamics-model-of-dissociative-chemisorption-2105.03118</loc><lastmod>2021-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantifying-the-impact-of-vibrational-nonequilibrium-in-plasma-catalysis-insights-from-a-molecular-dynamics-model-of-dissociative-chemisorption-2105.03118"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantifying-the-impact-of-vibrational-nonequilibrium-in-plasma-catalysis-insights-from-a-molecular-dynamics-model-of-dissociative-chemisorption-2105.03118"/></url>
<url><loc>https://scifaro.com/en/abs/reweighted-jarzynski-sampling-acceleration-of-rare-events-and-free-energy-calculation-with-a-bias-potential-learned-from-nonequilibrium-work-2105.03483</loc><lastmod>2021-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reweighted-jarzynski-sampling-acceleration-of-rare-events-and-free-energy-calculation-with-a-bias-potential-learned-from-nonequilibrium-work-2105.03483"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reweighted-jarzynski-sampling-acceleration-of-rare-events-and-free-energy-calculation-with-a-bias-potential-learned-from-nonequilibrium-work-2105.03483"/></url>
<url><loc>https://scifaro.com/en/abs/mechanical-properties-of-anionic-asymmetric-bilayers-from-atomistic-simulations-2105.03585</loc><lastmod>2021-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanical-properties-of-anionic-asymmetric-bilayers-from-atomistic-simulations-2105.03585"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanical-properties-of-anionic-asymmetric-bilayers-from-atomistic-simulations-2105.03585"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-molecular-dynamics-with-screened-lorentz-forces-part-ii-efficient-propagators-and-rovibrational-spectra-in-strong-magnetic-fields-2105.04225</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-with-screened-lorentz-forces-part-ii-efficient-propagators-and-rovibrational-spectra-in-strong-magnetic-fields-2105.04225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-molecular-dynamics-with-screened-lorentz-forces-part-ii-efficient-propagators-and-rovibrational-spectra-in-strong-magnetic-fields-2105.04225"/></url>
<url><loc>https://scifaro.com/en/abs/ligand-dependent-nano-mechanical-properties-of-cdse-nanoplatelets-calibrating-nanobalances-for-ligands-affinity-monitoring-2105.04369</loc><lastmod>2021-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ligand-dependent-nano-mechanical-properties-of-cdse-nanoplatelets-calibrating-nanobalances-for-ligands-affinity-monitoring-2105.04369"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ligand-dependent-nano-mechanical-properties-of-cdse-nanoplatelets-calibrating-nanobalances-for-ligands-affinity-monitoring-2105.04369"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassics-the-hidden-theory-behind-the-success-of-dft-2105.04384</loc><lastmod>2021-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassics-the-hidden-theory-behind-the-success-of-dft-2105.04384"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassics-the-hidden-theory-behind-the-success-of-dft-2105.04384"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-structure-of-the-solvated-benzene-radical-anion-2105.04543</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-structure-of-the-solvated-benzene-radical-anion-2105.04543"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-structure-of-the-solvated-benzene-radical-anion-2105.04543"/></url>
<url><loc>https://scifaro.com/en/abs/continuous-wave-laser-thermal-restoration-of-oxidized-lead-based-pigments-in-mural-paintings-2105.04677</loc><lastmod>2021-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/continuous-wave-laser-thermal-restoration-of-oxidized-lead-based-pigments-in-mural-paintings-2105.04677"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/continuous-wave-laser-thermal-restoration-of-oxidized-lead-based-pigments-in-mural-paintings-2105.04677"/></url>
<url><loc>https://scifaro.com/en/abs/mathbb-i-cas-imposed-automatic-selection-and-localization-of-complete-active-spaces-2105.04716</loc><lastmod>2021-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathbb-i-cas-imposed-automatic-selection-and-localization-of-complete-active-spaces-2105.04716"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathbb-i-cas-imposed-automatic-selection-and-localization-of-complete-active-spaces-2105.04716"/></url>
<url><loc>https://scifaro.com/en/abs/vibronic-coupling-in-energy-transfer-dynamics-and-two-dimensional-electronic-vibrational-spectra-2105.04724</loc><lastmod>2021-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibronic-coupling-in-energy-transfer-dynamics-and-two-dimensional-electronic-vibrational-spectra-2105.04724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibronic-coupling-in-energy-transfer-dynamics-and-two-dimensional-electronic-vibrational-spectra-2105.04724"/></url>
<url><loc>https://scifaro.com/en/abs/note-vibronic-coupling-in-light-harvesting-complex-ii-revisited-2105.04725</loc><lastmod>2021-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/note-vibronic-coupling-in-light-harvesting-complex-ii-revisited-2105.04725"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/note-vibronic-coupling-in-light-harvesting-complex-ii-revisited-2105.04725"/></url>
<url><loc>https://scifaro.com/en/abs/hydrothermal-liquefaction-of-sewage-sludge-energy-considerations-and-fate-of-micropollutants-during-pilot-scale-processing-2105.04886</loc><lastmod>2021-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrothermal-liquefaction-of-sewage-sludge-energy-considerations-and-fate-of-micropollutants-during-pilot-scale-processing-2105.04886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrothermal-liquefaction-of-sewage-sludge-energy-considerations-and-fate-of-micropollutants-during-pilot-scale-processing-2105.04886"/></url>
<url><loc>https://scifaro.com/en/abs/current-density-current-density-pathways-and-molecular-aromaticity-2105.04902</loc><lastmod>2021-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/current-density-current-density-pathways-and-molecular-aromaticity-2105.04902"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/current-density-current-density-pathways-and-molecular-aromaticity-2105.04902"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-gradients-for-nuclear-electronic-orbital-time-dependent-density-functional-theory-excited-state-geometry-optimizations-and-adiabatic-excitation-energies-2105.05191</loc><lastmod>2021-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-gradients-for-nuclear-electronic-orbital-time-dependent-density-functional-theory-excited-state-geometry-optimizations-and-adiabatic-excitation-energies-2105.05191"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-gradients-for-nuclear-electronic-orbital-time-dependent-density-functional-theory-excited-state-geometry-optimizations-and-adiabatic-excitation-energies-2105.05191"/></url>
<url><loc>https://scifaro.com/en/abs/polygrammar-grammar-for-digital-polymer-representation-and-generation-2105.05278</loc><lastmod>2021-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polygrammar-grammar-for-digital-polymer-representation-and-generation-2105.05278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polygrammar-grammar-for-digital-polymer-representation-and-generation-2105.05278"/></url>
<url><loc>https://scifaro.com/en/abs/time-and-site-resolved-kinetic-nmr-real-time-monitoring-of-off-equilibrium-chemical-dynamics-by-2d-spectrotemporal-correlations-2105.05657</loc><lastmod>2022-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-and-site-resolved-kinetic-nmr-real-time-monitoring-of-off-equilibrium-chemical-dynamics-by-2d-spectrotemporal-correlations-2105.05657"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-and-site-resolved-kinetic-nmr-real-time-monitoring-of-off-equilibrium-chemical-dynamics-by-2d-spectrotemporal-correlations-2105.05657"/></url>
<url><loc>https://scifaro.com/en/abs/boron-nitride-nanotube-precursor-formation-during-high-temperature-synthesis-kinetic-and-thermodynamic-modelling-2105.05934</loc><lastmod>2021-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/boron-nitride-nanotube-precursor-formation-during-high-temperature-synthesis-kinetic-and-thermodynamic-modelling-2105.05934"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/boron-nitride-nanotube-precursor-formation-during-high-temperature-synthesis-kinetic-and-thermodynamic-modelling-2105.05934"/></url>
<url><loc>https://scifaro.com/en/abs/matters-arising-in-plasmon-driven-carbon-fluorine-c-sp-3-f-bond-activation-with-mechanistic-insights-into-hot-carrier-mediated-pathways-2105.06382</loc><lastmod>2021-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/matters-arising-in-plasmon-driven-carbon-fluorine-c-sp-3-f-bond-activation-with-mechanistic-insights-into-hot-carrier-mediated-pathways-2105.06382"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/matters-arising-in-plasmon-driven-carbon-fluorine-c-sp-3-f-bond-activation-with-mechanistic-insights-into-hot-carrier-mediated-pathways-2105.06382"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-hydration-from-the-perspective-of-the-molecular-quasi-chemical-theory-of-solutions-2105.06406</loc><lastmod>2021-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-hydration-from-the-perspective-of-the-molecular-quasi-chemical-theory-of-solutions-2105.06406"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-hydration-from-the-perspective-of-the-molecular-quasi-chemical-theory-of-solutions-2105.06406"/></url>
<url><loc>https://scifaro.com/en/abs/a-novel-crossed-molecular-beam-experiment-for-investigating-reactions-of-state-and-conformationally-selected-strong-field-seeking-molecules-2105.06427</loc><lastmod>2021-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-novel-crossed-molecular-beam-experiment-for-investigating-reactions-of-state-and-conformationally-selected-strong-field-seeking-molecules-2105.06427"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-novel-crossed-molecular-beam-experiment-for-investigating-reactions-of-state-and-conformationally-selected-strong-field-seeking-molecules-2105.06427"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-driven-transient-hole-dynamics-resolved-in-space-and-time-in-the-isopropanol-molecule-2105.06507</loc><lastmod>2021-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-driven-transient-hole-dynamics-resolved-in-space-and-time-in-the-isopropanol-molecule-2105.06507"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-driven-transient-hole-dynamics-resolved-in-space-and-time-in-the-isopropanol-molecule-2105.06507"/></url>
<url><loc>https://scifaro.com/en/abs/autonomous-artificial-intelligence-discovers-mechanisms-of-molecular-self-organization-in-virtual-experiments-2105.06673</loc><lastmod>2023-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autonomous-artificial-intelligence-discovers-mechanisms-of-molecular-self-organization-in-virtual-experiments-2105.06673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autonomous-artificial-intelligence-discovers-mechanisms-of-molecular-self-organization-in-virtual-experiments-2105.06673"/></url>
<url><loc>https://scifaro.com/en/abs/microscopic-origin-of-the-effect-of-substrate-metallicity-on-interfacial-free-energies-2105.06799</loc><lastmod>2021-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microscopic-origin-of-the-effect-of-substrate-metallicity-on-interfacial-free-energies-2105.06799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microscopic-origin-of-the-effect-of-substrate-metallicity-on-interfacial-free-energies-2105.06799"/></url>
<url><loc>https://scifaro.com/en/abs/computation-of-drug-solvation-free-energy-in-supercritical-co2-alternatives-to-all-atom-computer-simulations-2105.07240</loc><lastmod>2021-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computation-of-drug-solvation-free-energy-in-supercritical-co2-alternatives-to-all-atom-computer-simulations-2105.07240"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computation-of-drug-solvation-free-energy-in-supercritical-co2-alternatives-to-all-atom-computer-simulations-2105.07240"/></url>
<url><loc>https://scifaro.com/en/abs/variations-of-the-hartree-fock-fractional-spin-error-for-one-electron-2105.07506</loc><lastmod>2021-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variations-of-the-hartree-fock-fractional-spin-error-for-one-electron-2105.07506"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variations-of-the-hartree-fock-fractional-spin-error-for-one-electron-2105.07506"/></url>
<url><loc>https://scifaro.com/en/abs/exact-time-dependent-density-functional-theory-for-non-perturbative-dynamics-of-helium-atom-2105.08656</loc><lastmod>2022-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-time-dependent-density-functional-theory-for-non-perturbative-dynamics-of-helium-atom-2105.08656"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-time-dependent-density-functional-theory-for-non-perturbative-dynamics-of-helium-atom-2105.08656"/></url>
<url><loc>https://scifaro.com/en/abs/attosecond-coherent-electron-motion-in-auger-meitner-decay-2105.08854</loc><lastmod>2022-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attosecond-coherent-electron-motion-in-auger-meitner-decay-2105.08854"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attosecond-coherent-electron-motion-in-auger-meitner-decay-2105.08854"/></url>
<url><loc>https://scifaro.com/en/abs/mass-independent-analysis-of-the-stable-isotopologues-of-gas-phase-titanium-monoxide-tio-2105.09036</loc><lastmod>2021-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mass-independent-analysis-of-the-stable-isotopologues-of-gas-phase-titanium-monoxide-tio-2105.09036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mass-independent-analysis-of-the-stable-isotopologues-of-gas-phase-titanium-monoxide-tio-2105.09036"/></url>
<url><loc>https://scifaro.com/en/abs/the-small-impact-of-various-partial-charge-distributions-in-ground-and-excited-state-on-the-computational-stokes-shift-of-1-methyl-6-oxyquinolinium-betaine-in-diverse-water-models-2105.09212</loc><lastmod>2021-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-small-impact-of-various-partial-charge-distributions-in-ground-and-excited-state-on-the-computational-stokes-shift-of-1-methyl-6-oxyquinolinium-betaine-in-diverse-water-models-2105.09212"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-small-impact-of-various-partial-charge-distributions-in-ground-and-excited-state-on-the-computational-stokes-shift-of-1-methyl-6-oxyquinolinium-betaine-in-diverse-water-models-2105.09212"/></url>
<url><loc>https://scifaro.com/en/abs/computational-solvation-dynamics-of-oxyquinolinium-betaine-linked-to-trehalose-2105.09236</loc><lastmod>2021-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-solvation-dynamics-of-oxyquinolinium-betaine-linked-to-trehalose-2105.09236"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-solvation-dynamics-of-oxyquinolinium-betaine-linked-to-trehalose-2105.09236"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-a-tertiary-butyl-group-on-polar-solvation-dynamics-in-aqueous-solution-a-computational-approach-2105.09256</loc><lastmod>2021-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-a-tertiary-butyl-group-on-polar-solvation-dynamics-in-aqueous-solution-a-computational-approach-2105.09256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-a-tertiary-butyl-group-on-polar-solvation-dynamics-in-aqueous-solution-a-computational-approach-2105.09256"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-machine-learning-for-eigenstate-filtration-in-two-dimensional-materials-2105.09488</loc><lastmod>2021-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-machine-learning-for-eigenstate-filtration-in-two-dimensional-materials-2105.09488"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-machine-learning-for-eigenstate-filtration-in-two-dimensional-materials-2105.09488"/></url>
<url><loc>https://scifaro.com/en/abs/room-temperature-micro-photoluminescence-studies-of-colloidal-ws2-nanosheets-2105.09593</loc><lastmod>2021-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/room-temperature-micro-photoluminescence-studies-of-colloidal-ws2-nanosheets-2105.09593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/room-temperature-micro-photoluminescence-studies-of-colloidal-ws2-nanosheets-2105.09593"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-photoelectron-circular-dichroism-using-a-nanosecond-laser-2105.09612</loc><lastmod>2021-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-photoelectron-circular-dichroism-using-a-nanosecond-laser-2105.09612"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-photoelectron-circular-dichroism-using-a-nanosecond-laser-2105.09612"/></url>
<url><loc>https://scifaro.com/en/abs/evolution-of-mass-surface-layer-composition-and-light-scattering-of-evaporating-single-microdroplets-of-sds-deg-suspension-shrinking-droplet-surface-as-the-micelles-generator-2105.09759</loc><lastmod>2021-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evolution-of-mass-surface-layer-composition-and-light-scattering-of-evaporating-single-microdroplets-of-sds-deg-suspension-shrinking-droplet-surface-as-the-micelles-generator-2105.09759"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evolution-of-mass-surface-layer-composition-and-light-scattering-of-evaporating-single-microdroplets-of-sds-deg-suspension-shrinking-droplet-surface-as-the-micelles-generator-2105.09759"/></url>
<url><loc>https://scifaro.com/en/abs/neutral-atom-scattering-based-mapping-of-atomically-thin-layers-2105.09777</loc><lastmod>2022-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neutral-atom-scattering-based-mapping-of-atomically-thin-layers-2105.09777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neutral-atom-scattering-based-mapping-of-atomically-thin-layers-2105.09777"/></url>
<url><loc>https://scifaro.com/en/abs/fixed-and-partial-node-approximations-in-slater-determinant-space-for-molecules-2105.09875</loc><lastmod>2021-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fixed-and-partial-node-approximations-in-slater-determinant-space-for-molecules-2105.09875"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fixed-and-partial-node-approximations-in-slater-determinant-space-for-molecules-2105.09875"/></url>
<url><loc>https://scifaro.com/en/abs/conformational-analysis-of-tannic-acid-environment-effects-in-electronic-and-reactivity-properties-2105.10121</loc><lastmod>2021-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformational-analysis-of-tannic-acid-environment-effects-in-electronic-and-reactivity-properties-2105.10121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformational-analysis-of-tannic-acid-environment-effects-in-electronic-and-reactivity-properties-2105.10121"/></url>
<url><loc>https://scifaro.com/en/abs/deciphering-the-rotational-spectrum-of-the-first-excited-torsional-state-of-propylene-oxide-2105.10248</loc><lastmod>2021-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deciphering-the-rotational-spectrum-of-the-first-excited-torsional-state-of-propylene-oxide-2105.10248"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deciphering-the-rotational-spectrum-of-the-first-excited-torsional-state-of-propylene-oxide-2105.10248"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-quantum-chemical-nature-of-lead-ii-lone-pair-2105.10314</loc><lastmod>2021-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-quantum-chemical-nature-of-lead-ii-lone-pair-2105.10314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-quantum-chemical-nature-of-lead-ii-lone-pair-2105.10314"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-jahn-teller-effects-on-the-generation-of-electronic-ring-currents-by-circularly-polarized-light-2105.10449</loc><lastmod>2021-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-jahn-teller-effects-on-the-generation-of-electronic-ring-currents-by-circularly-polarized-light-2105.10449"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-jahn-teller-effects-on-the-generation-of-electronic-ring-currents-by-circularly-polarized-light-2105.10449"/></url>
<url><loc>https://scifaro.com/en/abs/nac-tddft-time-dependent-density-functional-theory-for-nonadiabatic-couplings-2105.10804</loc><lastmod>2021-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nac-tddft-time-dependent-density-functional-theory-for-nonadiabatic-couplings-2105.10804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nac-tddft-time-dependent-density-functional-theory-for-nonadiabatic-couplings-2105.10804"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-with-ground-state-input-to-investigate-methane-reactions-on-supported-metal-film-catalysts-2105.10973</loc><lastmod>2022-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-with-ground-state-input-to-investigate-methane-reactions-on-supported-metal-film-catalysts-2105.10973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-with-ground-state-input-to-investigate-methane-reactions-on-supported-metal-film-catalysts-2105.10973"/></url>
<url><loc>https://scifaro.com/en/abs/autonomous-kinetic-modeling-of-biomass-pyrolysis-using-chemical-reaction-neural-networks-2105.11397</loc><lastmod>2022-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autonomous-kinetic-modeling-of-biomass-pyrolysis-using-chemical-reaction-neural-networks-2105.11397"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autonomous-kinetic-modeling-of-biomass-pyrolysis-using-chemical-reaction-neural-networks-2105.11397"/></url>
<url><loc>https://scifaro.com/en/abs/benzene-radical-anion-microsolvated-in-ammonia-clusters-modelling-the-transition-from-an-unbound-resonance-to-a-bound-species-2105.11757</loc><lastmod>2021-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benzene-radical-anion-microsolvated-in-ammonia-clusters-modelling-the-transition-from-an-unbound-resonance-to-a-bound-species-2105.11757"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benzene-radical-anion-microsolvated-in-ammonia-clusters-modelling-the-transition-from-an-unbound-resonance-to-a-bound-species-2105.11757"/></url>
<url><loc>https://scifaro.com/en/abs/irradiation-driven-molecular-dynamics-simulation-of-the-febid-process-for-pt-pf-3-4-2105.12206</loc><lastmod>2023-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/irradiation-driven-molecular-dynamics-simulation-of-the-febid-process-for-pt-pf-3-4-2105.12206"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/irradiation-driven-molecular-dynamics-simulation-of-the-febid-process-for-pt-pf-3-4-2105.12206"/></url>
<url><loc>https://scifaro.com/en/abs/measuring-radiofrequency-fields-in-nmr-spectroscopy-using-offset-dependent-nutation-profiles-2105.12367</loc><lastmod>2021-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-radiofrequency-fields-in-nmr-spectroscopy-using-offset-dependent-nutation-profiles-2105.12367"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-radiofrequency-fields-in-nmr-spectroscopy-using-offset-dependent-nutation-profiles-2105.12367"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-correction-scheme-for-linear-response-time-dependent-density-functional-theory-calculations-of-core-electronic-states-2105.12426</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-correction-scheme-for-linear-response-time-dependent-density-functional-theory-calculations-of-core-electronic-states-2105.12426"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-correction-scheme-for-linear-response-time-dependent-density-functional-theory-calculations-of-core-electronic-states-2105.12426"/></url>
<url><loc>https://scifaro.com/en/abs/tdos-quantum-mechanical-visual-analysis-for-single-molecules-2105.12830</loc><lastmod>2022-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tdos-quantum-mechanical-visual-analysis-for-single-molecules-2105.12830"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tdos-quantum-mechanical-visual-analysis-for-single-molecules-2105.12830"/></url>
<url><loc>https://scifaro.com/en/abs/harder-better-faster-stronger-large-scale-qm-and-qm-mm-for-predictive-modeling-in-enzymes-and-proteins-2105.12873</loc><lastmod>2021-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/harder-better-faster-stronger-large-scale-qm-and-qm-mm-for-predictive-modeling-in-enzymes-and-proteins-2105.12873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/harder-better-faster-stronger-large-scale-qm-and-qm-mm-for-predictive-modeling-in-enzymes-and-proteins-2105.12873"/></url>
<url><loc>https://scifaro.com/en/abs/monte-carlo-simulation-of-molecular-dynamics-for-amino-acid-production-from-carboxylic-acid-via-c-14-beta-decay-2105.13622</loc><lastmod>2022-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monte-carlo-simulation-of-molecular-dynamics-for-amino-acid-production-from-carboxylic-acid-via-c-14-beta-decay-2105.13622"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monte-carlo-simulation-of-molecular-dynamics-for-amino-acid-production-from-carboxylic-acid-via-c-14-beta-decay-2105.13622"/></url>
<url><loc>https://scifaro.com/en/abs/nafion-induced-reduction-of-manganese-and-its-impact-on-the-electrocatalytic-properties-of-a-highly-active-mnfeni-oxide-for-bifunctional-oxygen-conversion-2105.13888</loc><lastmod>2021-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nafion-induced-reduction-of-manganese-and-its-impact-on-the-electrocatalytic-properties-of-a-highly-active-mnfeni-oxide-for-bifunctional-oxygen-conversion-2105.13888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nafion-induced-reduction-of-manganese-and-its-impact-on-the-electrocatalytic-properties-of-a-highly-active-mnfeni-oxide-for-bifunctional-oxygen-conversion-2105.13888"/></url>
<url><loc>https://scifaro.com/en/abs/full-spectroscopic-model-and-trihybrid-experimental-perturbative-variational-line-list-for-cn-2105.13917</loc><lastmod>2021-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-spectroscopic-model-and-trihybrid-experimental-perturbative-variational-line-list-for-cn-2105.13917"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-spectroscopic-model-and-trihybrid-experimental-perturbative-variational-line-list-for-cn-2105.13917"/></url>
<url><loc>https://scifaro.com/en/abs/specific-chemical-bond-relaxation-unravelled-by-analysis-of-shake-up-satellites-in-the-oxygen-single-site-double-core-hole-spectrum-of-co-2-2105.13918</loc><lastmod>2022-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/specific-chemical-bond-relaxation-unravelled-by-analysis-of-shake-up-satellites-in-the-oxygen-single-site-double-core-hole-spectrum-of-co-2-2105.13918"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/specific-chemical-bond-relaxation-unravelled-by-analysis-of-shake-up-satellites-in-the-oxygen-single-site-double-core-hole-spectrum-of-co-2-2105.13918"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-treatment-of-molecular-excitations-in-the-liquid-phase-environment-via-stochastic-many-body-theory-2105.14374</loc><lastmod>2021-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-treatment-of-molecular-excitations-in-the-liquid-phase-environment-via-stochastic-many-body-theory-2105.14374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-treatment-of-molecular-excitations-in-the-liquid-phase-environment-via-stochastic-many-body-theory-2105.14374"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-proton-transport-between-a-hydroxy-acid-and-a-nitrogen-base-along-solvent-bridges-governed-by-hydroxide-methoxide-transfer-mechanism-2105.14833</loc><lastmod>2021-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-proton-transport-between-a-hydroxy-acid-and-a-nitrogen-base-along-solvent-bridges-governed-by-hydroxide-methoxide-transfer-mechanism-2105.14833"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-proton-transport-between-a-hydroxy-acid-and-a-nitrogen-base-along-solvent-bridges-governed-by-hydroxide-methoxide-transfer-mechanism-2105.14833"/></url>
<url><loc>https://scifaro.com/en/abs/renormalized-singles-green-s-function-in-the-t-matrix-approximation-for-accurate-quasiparticle-energy-calculation-2105.14972</loc><lastmod>2021-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/renormalized-singles-green-s-function-in-the-t-matrix-approximation-for-accurate-quasiparticle-energy-calculation-2105.14972"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/renormalized-singles-green-s-function-in-the-t-matrix-approximation-for-accurate-quasiparticle-energy-calculation-2105.14972"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-h-2-storage-capacity-of-the-bilayer-hexagonal-boron-nitride-h-bn-incorporating-van-der-waals-interaction-under-applied-external-electric-field-2105.15070</loc><lastmod>2021-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-h-2-storage-capacity-of-the-bilayer-hexagonal-boron-nitride-h-bn-incorporating-van-der-waals-interaction-under-applied-external-electric-field-2105.15070"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-h-2-storage-capacity-of-the-bilayer-hexagonal-boron-nitride-h-bn-incorporating-van-der-waals-interaction-under-applied-external-electric-field-2105.15070"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-potentials-for-complex-aqueous-systems-made-simple-2106.00048</loc><lastmod>2021-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-potentials-for-complex-aqueous-systems-made-simple-2106.00048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-potentials-for-complex-aqueous-systems-made-simple-2106.00048"/></url>
<url><loc>https://scifaro.com/en/abs/entanglement-effect-and-angular-momentum-conservation-in-a-non-separable-tunneling-treatment-2106.00078</loc><lastmod>2021-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entanglement-effect-and-angular-momentum-conservation-in-a-non-separable-tunneling-treatment-2106.00078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entanglement-effect-and-angular-momentum-conservation-in-a-non-separable-tunneling-treatment-2106.00078"/></url>
<url><loc>https://scifaro.com/en/abs/a-deep-autoencoder-framework-for-discovery-of-metastable-ensembles-in-biomacromolecules-2106.00724</loc><lastmod>2021-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-deep-autoencoder-framework-for-discovery-of-metastable-ensembles-in-biomacromolecules-2106.00724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-deep-autoencoder-framework-for-discovery-of-metastable-ensembles-in-biomacromolecules-2106.00724"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-frozen-density-embedding-calculations-of-solvent-effects-on-the-nmr-shielding-constants-of-transition-metal-nuclei-2106.00763</loc><lastmod>2021-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-frozen-density-embedding-calculations-of-solvent-effects-on-the-nmr-shielding-constants-of-transition-metal-nuclei-2106.00763"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-frozen-density-embedding-calculations-of-solvent-effects-on-the-nmr-shielding-constants-of-transition-metal-nuclei-2106.00763"/></url>
<url><loc>https://scifaro.com/en/abs/an-extendible-graph-neural-network-based-approach-for-accurate-force-field-development-of-large-flexible-organic-molecules-2106.00927</loc><lastmod>2021-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-extendible-graph-neural-network-based-approach-for-accurate-force-field-development-of-large-flexible-organic-molecules-2106.00927"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-extendible-graph-neural-network-based-approach-for-accurate-force-field-development-of-large-flexible-organic-molecules-2106.00927"/></url>
<url><loc>https://scifaro.com/en/abs/learning-neural-network-potentials-from-experimental-data-via-differentiable-trajectory-reweighting-2106.01138</loc><lastmod>2021-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-neural-network-potentials-from-experimental-data-via-differentiable-trajectory-reweighting-2106.01138"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-neural-network-potentials-from-experimental-data-via-differentiable-trajectory-reweighting-2106.01138"/></url>
<url><loc>https://scifaro.com/en/abs/transition-based-constrained-dft-for-the-robust-and-reliable-treatment-of-excitations-in-supramolecular-systems-2106.01142</loc><lastmod>2022-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-based-constrained-dft-for-the-robust-and-reliable-treatment-of-excitations-in-supramolecular-systems-2106.01142"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-based-constrained-dft-for-the-robust-and-reliable-treatment-of-excitations-in-supramolecular-systems-2106.01142"/></url>
<url><loc>https://scifaro.com/en/abs/computational-design-of-microarchitected-flow-through-electrodes-for-energy-storage-2106.01512</loc><lastmod>2021-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-design-of-microarchitected-flow-through-electrodes-for-energy-storage-2106.01512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-design-of-microarchitected-flow-through-electrodes-for-energy-storage-2106.01512"/></url>
<url><loc>https://scifaro.com/en/abs/dirac-fock-breit-gaunt-calculations-for-the-reaction-og-6-co-og-co-6-or-og-oc-6-2106.02074</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dirac-fock-breit-gaunt-calculations-for-the-reaction-og-6-co-og-co-6-or-og-oc-6-2106.02074"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dirac-fock-breit-gaunt-calculations-for-the-reaction-og-6-co-og-co-6-or-og-oc-6-2106.02074"/></url>
<url><loc>https://scifaro.com/en/abs/an-energy-based-interface-detection-method-for-phase-change-processes-in-nanoconfinements-2106.02238</loc><lastmod>2021-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-energy-based-interface-detection-method-for-phase-change-processes-in-nanoconfinements-2106.02238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-energy-based-interface-detection-method-for-phase-change-processes-in-nanoconfinements-2106.02238"/></url>
<url><loc>https://scifaro.com/en/abs/se-3-equivariant-prediction-of-molecular-wavefunctions-and-electronic-densities-2106.02347</loc><lastmod>2021-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/se-3-equivariant-prediction-of-molecular-wavefunctions-and-electronic-densities-2106.02347"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/se-3-equivariant-prediction-of-molecular-wavefunctions-and-electronic-densities-2106.02347"/></url>
<url><loc>https://scifaro.com/en/abs/requirements-for-beneficial-electrochemical-restructuring-a-model-study-on-a-cobalt-oxide-in-selected-electrolytes-2106.02362</loc><lastmod>2021-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/requirements-for-beneficial-electrochemical-restructuring-a-model-study-on-a-cobalt-oxide-in-selected-electrolytes-2106.02362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/requirements-for-beneficial-electrochemical-restructuring-a-model-study-on-a-cobalt-oxide-in-selected-electrolytes-2106.02362"/></url>
<url><loc>https://scifaro.com/en/abs/asymptotic-analysis-of-the-pauli-potential-for-atoms-2106.02751</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/asymptotic-analysis-of-the-pauli-potential-for-atoms-2106.02751"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/asymptotic-analysis-of-the-pauli-potential-for-atoms-2106.02751"/></url>
<url><loc>https://scifaro.com/en/abs/scalable-and-predictive-spectra-of-correlated-molecules-with-moment-truncated-iterated-perturbation-theory-2106.03508</loc><lastmod>2021-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scalable-and-predictive-spectra-of-correlated-molecules-with-moment-truncated-iterated-perturbation-theory-2106.03508"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scalable-and-predictive-spectra-of-correlated-molecules-with-moment-truncated-iterated-perturbation-theory-2106.03508"/></url>
<url><loc>https://scifaro.com/en/abs/determination-of-approximate-quantum-labels-based-on-projections-of-the-total-angular-momentum-on-the-molecule-fixed-axis-2106.03597</loc><lastmod>2021-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determination-of-approximate-quantum-labels-based-on-projections-of-the-total-angular-momentum-on-the-molecule-fixed-axis-2106.03597"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determination-of-approximate-quantum-labels-based-on-projections-of-the-total-angular-momentum-on-the-molecule-fixed-axis-2106.03597"/></url>
<url><loc>https://scifaro.com/en/abs/binding-sites-vibrations-and-spin-lattice-relaxation-times-in-europium-ii-based-metallofullerene-spin-qubits-2106.03633</loc><lastmod>2021-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binding-sites-vibrations-and-spin-lattice-relaxation-times-in-europium-ii-based-metallofullerene-spin-qubits-2106.03633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binding-sites-vibrations-and-spin-lattice-relaxation-times-in-europium-ii-based-metallofullerene-spin-qubits-2106.03633"/></url>
<url><loc>https://scifaro.com/en/abs/complex-ground-state-and-excitation-energies-in-coupled-cluster-theory-2106.03757</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complex-ground-state-and-excitation-energies-in-coupled-cluster-theory-2106.03757"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complex-ground-state-and-excitation-energies-in-coupled-cluster-theory-2106.03757"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-adsorbate-excitation-probed-with-sub-ps-resolution-xas-2106.03818</loc><lastmod>2022-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-adsorbate-excitation-probed-with-sub-ps-resolution-xas-2106.03818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-adsorbate-excitation-probed-with-sub-ps-resolution-xas-2106.03818"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-spin-symmetry-breaking-effects-for-static-field-ionization-of-atoms-is-there-an-analog-to-the-coulson-fischer-point-in-bond-dissociation-2106.04040</loc><lastmod>2021-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-spin-symmetry-breaking-effects-for-static-field-ionization-of-atoms-is-there-an-analog-to-the-coulson-fischer-point-in-bond-dissociation-2106.04040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-spin-symmetry-breaking-effects-for-static-field-ionization-of-atoms-is-there-an-analog-to-the-coulson-fischer-point-in-bond-dissociation-2106.04040"/></url>
<url><loc>https://scifaro.com/en/abs/superconducting-microresonators-for-electron-spin-resonance-the-good-the-bad-and-the-future-2106.04163</loc><lastmod>2022-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/superconducting-microresonators-for-electron-spin-resonance-the-good-the-bad-and-the-future-2106.04163"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/superconducting-microresonators-for-electron-spin-resonance-the-good-the-bad-and-the-future-2106.04163"/></url>
<url><loc>https://scifaro.com/en/abs/augmenting-molecular-deep-generative-models-with-topological-data-analysis-representations-2106.04464</loc><lastmod>2022-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/augmenting-molecular-deep-generative-models-with-topological-data-analysis-representations-2106.04464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/augmenting-molecular-deep-generative-models-with-topological-data-analysis-representations-2106.04464"/></url>
<url><loc>https://scifaro.com/en/abs/using-differentiable-programming-to-obtain-an-energy-and-density-optimized-exchange-correlation-functional-2106.04481</loc><lastmod>2021-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-differentiable-programming-to-obtain-an-energy-and-density-optimized-exchange-correlation-functional-2106.04481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-differentiable-programming-to-obtain-an-energy-and-density-optimized-exchange-correlation-functional-2106.04481"/></url>
<url><loc>https://scifaro.com/en/abs/nmr-chemical-shift-computations-at-second-order-m-o-ller-plesset-perturbation-theory-using-gauge-including-atomic-orbitals-and-cholesky-decomposed-two-electron-integrals-2106.04658</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nmr-chemical-shift-computations-at-second-order-m-o-ller-plesset-perturbation-theory-using-gauge-including-atomic-orbitals-and-cholesky-decomposed-two-electron-integrals-2106.04658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nmr-chemical-shift-computations-at-second-order-m-o-ller-plesset-perturbation-theory-using-gauge-including-atomic-orbitals-and-cholesky-decomposed-two-electron-integrals-2106.04658"/></url>
<url><loc>https://scifaro.com/en/abs/a-black-box-general-purpose-quadratic-self-consistent-field-code-with-and-without-cholesky-decomposition-of-the-two-electron-integrals-2106.04836</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-black-box-general-purpose-quadratic-self-consistent-field-code-with-and-without-cholesky-decomposition-of-the-two-electron-integrals-2106.04836"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-black-box-general-purpose-quadratic-self-consistent-field-code-with-and-without-cholesky-decomposition-of-the-two-electron-integrals-2106.04836"/></url>
<url><loc>https://scifaro.com/en/abs/learning-electron-densities-in-the-condensed-phase-2106.05364</loc><lastmod>2021-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-electron-densities-in-the-condensed-phase-2106.05364"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-electron-densities-in-the-condensed-phase-2106.05364"/></url>
<url><loc>https://scifaro.com/en/abs/significantly-enhanced-performance-of-nanofluidic-osmotic-power-generation-by-slipping-surfaces-of-nanopores-2106.05504</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/significantly-enhanced-performance-of-nanofluidic-osmotic-power-generation-by-slipping-surfaces-of-nanopores-2106.05504"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/significantly-enhanced-performance-of-nanofluidic-osmotic-power-generation-by-slipping-surfaces-of-nanopores-2106.05504"/></url>
<url><loc>https://scifaro.com/en/abs/state-specific-enrichment-of-chiral-conformers-with-microwave-spectroscopy-2106.05689</loc><lastmod>2021-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-specific-enrichment-of-chiral-conformers-with-microwave-spectroscopy-2106.05689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-specific-enrichment-of-chiral-conformers-with-microwave-spectroscopy-2106.05689"/></url>
<url><loc>https://scifaro.com/en/abs/molgrow-a-graph-normalizing-flow-for-hierarchical-molecular-generation-2106.05856</loc><lastmod>2021-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molgrow-a-graph-normalizing-flow-for-hierarchical-molecular-generation-2106.05856"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molgrow-a-graph-normalizing-flow-for-hierarchical-molecular-generation-2106.05856"/></url>
<url><loc>https://scifaro.com/en/abs/third-order-many-body-expansion-of-osv-mp2-wavefunction-for-low-order-scaling-analytical-gradient-computation-2106.06149</loc><lastmod>2021-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/third-order-many-body-expansion-of-osv-mp2-wavefunction-for-low-order-scaling-analytical-gradient-computation-2106.06149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/third-order-many-body-expansion-of-osv-mp2-wavefunction-for-low-order-scaling-analytical-gradient-computation-2106.06149"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-dependent-structure-of-1-propanol-water-mixtures-x-ray-diffraction-experiments-and-computer-simulations-at-low-and-high-alcohol-contents-2106.06193</loc><lastmod>2021-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-dependent-structure-of-1-propanol-water-mixtures-x-ray-diffraction-experiments-and-computer-simulations-at-low-and-high-alcohol-contents-2106.06193"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-dependent-structure-of-1-propanol-water-mixtures-x-ray-diffraction-experiments-and-computer-simulations-at-low-and-high-alcohol-contents-2106.06193"/></url>
<url><loc>https://scifaro.com/en/abs/using-azobenzene-photocontrol-to-set-proteins-in-motion-2106.06289</loc><lastmod>2021-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-azobenzene-photocontrol-to-set-proteins-in-motion-2106.06289"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-azobenzene-photocontrol-to-set-proteins-in-motion-2106.06289"/></url>
<url><loc>https://scifaro.com/en/abs/p-dagger-q-a-tool-for-prototyping-many-body-methods-for-quantum-chemistry-2106.06850</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/p-dagger-q-a-tool-for-prototyping-many-body-methods-for-quantum-chemistry-2106.06850"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/p-dagger-q-a-tool-for-prototyping-many-body-methods-for-quantum-chemistry-2106.06850"/></url>
<url><loc>https://scifaro.com/en/abs/simple-but-accurate-estimation-of-light-matter-coupling-strength-and-optical-loss-for-a-molecular-emitter-coupled-with-photonic-modes-2106.07031</loc><lastmod>2021-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-but-accurate-estimation-of-light-matter-coupling-strength-and-optical-loss-for-a-molecular-emitter-coupled-with-photonic-modes-2106.07031"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-but-accurate-estimation-of-light-matter-coupling-strength-and-optical-loss-for-a-molecular-emitter-coupled-with-photonic-modes-2106.07031"/></url>
<url><loc>https://scifaro.com/en/abs/spin-free-formulation-of-the-multireference-driven-similarity-renormalization-group-a-benchmark-study-of-first-row-diatomic-molecules-and-spin-crossover-energetics-2106.07097</loc><lastmod>2021-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-free-formulation-of-the-multireference-driven-similarity-renormalization-group-a-benchmark-study-of-first-row-diatomic-molecules-and-spin-crossover-energetics-2106.07097"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-free-formulation-of-the-multireference-driven-similarity-renormalization-group-a-benchmark-study-of-first-row-diatomic-molecules-and-spin-crossover-energetics-2106.07097"/></url>
<url><loc>https://scifaro.com/en/abs/neural-networks-in-pulsed-dipolar-spectroscopy-a-practical-guide-2106.07465</loc><lastmod>2022-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-networks-in-pulsed-dipolar-spectroscopy-a-practical-guide-2106.07465"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-networks-in-pulsed-dipolar-spectroscopy-a-practical-guide-2106.07465"/></url>
<url><loc>https://scifaro.com/en/abs/a-large-scale-approach-to-modelling-molecular-biosignatures-the-diatomics-2106.07647</loc><lastmod>2022-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-large-scale-approach-to-modelling-molecular-biosignatures-the-diatomics-2106.07647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-large-scale-approach-to-modelling-molecular-biosignatures-the-diatomics-2106.07647"/></url>
<url><loc>https://scifaro.com/en/abs/spin-pure-stochastic-casscf-via-guga-fciqmc-applied-to-iron-sulfur-clusters-2106.07775</loc><lastmod>2021-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-pure-stochastic-casscf-via-guga-fciqmc-applied-to-iron-sulfur-clusters-2106.07775"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-pure-stochastic-casscf-via-guga-fciqmc-applied-to-iron-sulfur-clusters-2106.07775"/></url>
<url><loc>https://scifaro.com/en/abs/non-autoregressive-electron-redistribution-modeling-for-reaction-prediction-2106.07801</loc><lastmod>2021-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-autoregressive-electron-redistribution-modeling-for-reaction-prediction-2106.07801"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-autoregressive-electron-redistribution-modeling-for-reaction-prediction-2106.07801"/></url>
<url><loc>https://scifaro.com/en/abs/geomol-torsional-geometric-generation-of-molecular-3d-conformer-ensembles-2106.07802</loc><lastmod>2021-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geomol-torsional-geometric-generation-of-molecular-3d-conformer-ensembles-2106.07802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geomol-torsional-geometric-generation-of-molecular-3d-conformer-ensembles-2106.07802"/></url>
<url><loc>https://scifaro.com/en/abs/photoelectron-circular-dichroism-of-o-1-s-photoelectrons-of-uniaxially-oriented-trifluoromethyloxirane-energy-dependence-and-sensitivity-to-molecular-configuration-2106.08071</loc><lastmod>2021-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoelectron-circular-dichroism-of-o-1-s-photoelectrons-of-uniaxially-oriented-trifluoromethyloxirane-energy-dependence-and-sensitivity-to-molecular-configuration-2106.08071"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoelectron-circular-dichroism-of-o-1-s-photoelectrons-of-uniaxially-oriented-trifluoromethyloxirane-energy-dependence-and-sensitivity-to-molecular-configuration-2106.08071"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-relaxation-of-hot-ground-state-cations-of-naphthalene-2106.08145</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-relaxation-of-hot-ground-state-cations-of-naphthalene-2106.08145"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-relaxation-of-hot-ground-state-cations-of-naphthalene-2106.08145"/></url>
<url><loc>https://scifaro.com/en/abs/bayesian-optimization-of-high-entropy-alloy-compositions-for-electrocatalytic-oxygen-reduction-2106.08212</loc><lastmod>2021-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bayesian-optimization-of-high-entropy-alloy-compositions-for-electrocatalytic-oxygen-reduction-2106.08212"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bayesian-optimization-of-high-entropy-alloy-compositions-for-electrocatalytic-oxygen-reduction-2106.08212"/></url>
<url><loc>https://scifaro.com/en/abs/physically-motivated-recursively-embedded-atom-neural-networks-incorporating-local-completeness-and-nonlocality-2106.08245</loc><lastmod>2021-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physically-motivated-recursively-embedded-atom-neural-networks-incorporating-local-completeness-and-nonlocality-2106.08245"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physically-motivated-recursively-embedded-atom-neural-networks-incorporating-local-completeness-and-nonlocality-2106.08245"/></url>
<url><loc>https://scifaro.com/en/abs/suppression-of-x-ray-induced-radiation-damage-to-biomolecules-in-aqueous-environments-by-immediate-intermolecular-decay-of-inner-shell-vacancies-2106.08639</loc><lastmod>2022-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/suppression-of-x-ray-induced-radiation-damage-to-biomolecules-in-aqueous-environments-by-immediate-intermolecular-decay-of-inner-shell-vacancies-2106.08639"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/suppression-of-x-ray-induced-radiation-damage-to-biomolecules-in-aqueous-environments-by-immediate-intermolecular-decay-of-inner-shell-vacancies-2106.08639"/></url>
<url><loc>https://scifaro.com/en/abs/physics-informed-cokriging-model-of-a-redox-flow-battery-2106.09188</loc><lastmod>2021-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physics-informed-cokriging-model-of-a-redox-flow-battery-2106.09188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physics-informed-cokriging-model-of-a-redox-flow-battery-2106.09188"/></url>
<url><loc>https://scifaro.com/en/abs/attosecond-spectroscopy-of-size-resolved-water-clusters-2106.09459</loc><lastmod>2022-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attosecond-spectroscopy-of-size-resolved-water-clusters-2106.09459"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attosecond-spectroscopy-of-size-resolved-water-clusters-2106.09459"/></url>
<url><loc>https://scifaro.com/en/abs/polaritonic-unitary-coupled-cluster-for-quantum-computations-2106.09842</loc><lastmod>2021-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polaritonic-unitary-coupled-cluster-for-quantum-computations-2106.09842"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polaritonic-unitary-coupled-cluster-for-quantum-computations-2106.09842"/></url>
<url><loc>https://scifaro.com/en/abs/the-photothermal-nonlinearity-in-plasmon-assisted-photocatalysis-2106.10072</loc><lastmod>2023-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-photothermal-nonlinearity-in-plasmon-assisted-photocatalysis-2106.10072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-photothermal-nonlinearity-in-plasmon-assisted-photocatalysis-2106.10072"/></url>
<url><loc>https://scifaro.com/en/abs/iciscf-an-iterative-configuration-interaction-based-multiconfigurational-self-consistent-field-theory-for-large-active-spaces-2106.10223</loc><lastmod>2021-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/iciscf-an-iterative-configuration-interaction-based-multiconfigurational-self-consistent-field-theory-for-large-active-spaces-2106.10223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/iciscf-an-iterative-configuration-interaction-based-multiconfigurational-self-consistent-field-theory-for-large-active-spaces-2106.10223"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-inclusion-of-cusp-effects-in-expectation-values-with-explicitly-correlated-gaussians-2106.10355</loc><lastmod>2021-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-inclusion-of-cusp-effects-in-expectation-values-with-explicitly-correlated-gaussians-2106.10355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-inclusion-of-cusp-effects-in-expectation-values-with-explicitly-correlated-gaussians-2106.10355"/></url>
<url><loc>https://scifaro.com/en/abs/the-exact-second-order-corrections-and-accurate-quasiparticle-energy-calculations-in-density-functional-theory-2106.10358</loc><lastmod>2021-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-exact-second-order-corrections-and-accurate-quasiparticle-energy-calculations-in-density-functional-theory-2106.10358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-exact-second-order-corrections-and-accurate-quasiparticle-energy-calculations-in-density-functional-theory-2106.10358"/></url>
<url><loc>https://scifaro.com/en/abs/multi-objective-optimization-for-retinal-photoisomerization-models-with-respect-to-experimental-observables-2106.10390</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-objective-optimization-for-retinal-photoisomerization-models-with-respect-to-experimental-observables-2106.10390"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-objective-optimization-for-retinal-photoisomerization-models-with-respect-to-experimental-observables-2106.10390"/></url>
<url><loc>https://scifaro.com/en/abs/a-doorway-mechanism-for-electron-attachment-induced-dna-strand-break-2106.10518</loc><lastmod>2021-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-doorway-mechanism-for-electron-attachment-induced-dna-strand-break-2106.10518"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-doorway-mechanism-for-electron-attachment-induced-dna-strand-break-2106.10518"/></url>
<url><loc>https://scifaro.com/en/abs/representations-and-strategies-for-transferable-machine-learning-models-in-chemical-discovery-2106.10768</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/representations-and-strategies-for-transferable-machine-learning-models-in-chemical-discovery-2106.10768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/representations-and-strategies-for-transferable-machine-learning-models-in-chemical-discovery-2106.10768"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-gradient-theory-for-resolvent-fitted-second-order-extended-multiconfiguration-perturbation-theory-xmcqdpt2-2106.10817</loc><lastmod>2021-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-gradient-theory-for-resolvent-fitted-second-order-extended-multiconfiguration-perturbation-theory-xmcqdpt2-2106.10817"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-gradient-theory-for-resolvent-fitted-second-order-extended-multiconfiguration-perturbation-theory-xmcqdpt2-2106.10817"/></url>
<url><loc>https://scifaro.com/en/abs/the-chemical-effect-goes-resonant-a-full-quantum-mechanical-approach-on-ters-2106.11065</loc><lastmod>2021-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-chemical-effect-goes-resonant-a-full-quantum-mechanical-approach-on-ters-2106.11065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-chemical-effect-goes-resonant-a-full-quantum-mechanical-approach-on-ters-2106.11065"/></url>
<url><loc>https://scifaro.com/en/abs/straightforward-and-accurate-automatic-auxiliary-basis-set-generation-for-molecular-calculations-with-atomic-orbital-basis-sets-2106.11081</loc><lastmod>2021-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/straightforward-and-accurate-automatic-auxiliary-basis-set-generation-for-molecular-calculations-with-atomic-orbital-basis-sets-2106.11081"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/straightforward-and-accurate-automatic-auxiliary-basis-set-generation-for-molecular-calculations-with-atomic-orbital-basis-sets-2106.11081"/></url>
<url><loc>https://scifaro.com/en/abs/variational-coupled-cluster-for-ground-and-excited-states-2106.11305</loc><lastmod>2021-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-coupled-cluster-for-ground-and-excited-states-2106.11305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-coupled-cluster-for-ground-and-excited-states-2106.11305"/></url>
<url><loc>https://scifaro.com/en/abs/physics-constrained-deep-neural-network-method-for-estimating-parameters-in-a-redox-flow-battery-2106.11451</loc><lastmod>2022-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physics-constrained-deep-neural-network-method-for-estimating-parameters-in-a-redox-flow-battery-2106.11451"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physics-constrained-deep-neural-network-method-for-estimating-parameters-in-a-redox-flow-battery-2106.11451"/></url>
<url><loc>https://scifaro.com/en/abs/dipole-dipole-polarizability-of-the-cadmium-mathbf-1s-0-state-revisited-2106.11647</loc><lastmod>2022-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dipole-dipole-polarizability-of-the-cadmium-mathbf-1s-0-state-revisited-2106.11647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dipole-dipole-polarizability-of-the-cadmium-mathbf-1s-0-state-revisited-2106.11647"/></url>
<url><loc>https://scifaro.com/en/abs/a-closed-form-analytical-approximation-for-apparent-surface-charge-and-electric-field-of-molecules-2106.11673</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-closed-form-analytical-approximation-for-apparent-surface-charge-and-electric-field-of-molecules-2106.11673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-closed-form-analytical-approximation-for-apparent-surface-charge-and-electric-field-of-molecules-2106.11673"/></url>
<url><loc>https://scifaro.com/en/abs/are-charged-tips-driving-ters-resolution-a-full-quantum-chemical-approach-2106.11724</loc><lastmod>2021-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/are-charged-tips-driving-ters-resolution-a-full-quantum-chemical-approach-2106.11724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/are-charged-tips-driving-ters-resolution-a-full-quantum-chemical-approach-2106.11724"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-monte-carlo-investigation-of-the-h-transfer-reaction-of-criegee-intermediate-ch3choo-a-benchmark-calculation-2106.11822</loc><lastmod>2021-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-monte-carlo-investigation-of-the-h-transfer-reaction-of-criegee-intermediate-ch3choo-a-benchmark-calculation-2106.11822"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-monte-carlo-investigation-of-the-h-transfer-reaction-of-criegee-intermediate-ch3choo-a-benchmark-calculation-2106.11822"/></url>
<url><loc>https://scifaro.com/en/abs/the-quest-to-simulate-excited-state-dynamics-of-transition-metal-complexes-2106.11912</loc><lastmod>2021-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-quest-to-simulate-excited-state-dynamics-of-transition-metal-complexes-2106.11912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-quest-to-simulate-excited-state-dynamics-of-transition-metal-complexes-2106.11912"/></url>
<url><loc>https://scifaro.com/en/abs/driving-chemical-reactions-with-polariton-condensates-2106.12156</loc><lastmod>2022-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/driving-chemical-reactions-with-polariton-condensates-2106.12156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/driving-chemical-reactions-with-polariton-condensates-2106.12156"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-macroscopic-surface-charges-from-microscopic-simulations-j-chem-phys-153-164709-2020-2106.12291</loc><lastmod>2021-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-macroscopic-surface-charges-from-microscopic-simulations-j-chem-phys-153-164709-2020-2106.12291"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-macroscopic-surface-charges-from-microscopic-simulations-j-chem-phys-153-164709-2020-2106.12291"/></url>
<url><loc>https://scifaro.com/en/abs/state-and-molecule-selective-rotational-control-in-gas-mixtures-with-a-shaped-optical-centrifuge-2106.12468</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-and-molecule-selective-rotational-control-in-gas-mixtures-with-a-shaped-optical-centrifuge-2106.12468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-and-molecule-selective-rotational-control-in-gas-mixtures-with-a-shaped-optical-centrifuge-2106.12468"/></url>
<url><loc>https://scifaro.com/en/abs/a-comparison-of-exact-and-model-exchange-correlation-potentials-for-molecules-2106.12476</loc><lastmod>2021-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comparison-of-exact-and-model-exchange-correlation-potentials-for-molecules-2106.12476"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comparison-of-exact-and-model-exchange-correlation-potentials-for-molecules-2106.12476"/></url>
<url><loc>https://scifaro.com/en/abs/a-tensor-network-representation-of-path-integrals-implementation-and-analysis-2106.12523</loc><lastmod>2023-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-tensor-network-representation-of-path-integrals-implementation-and-analysis-2106.12523"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-tensor-network-representation-of-path-integrals-implementation-and-analysis-2106.12523"/></url>
<url><loc>https://scifaro.com/en/abs/development-and-validation-of-a-parameter-free-model-chemistry-for-the-computation-of-reliable-reaction-rates-2106.12999</loc><lastmod>2021-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-and-validation-of-a-parameter-free-model-chemistry-for-the-computation-of-reliable-reaction-rates-2106.12999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-and-validation-of-a-parameter-free-model-chemistry-for-the-computation-of-reliable-reaction-rates-2106.12999"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-and-vibrationally-activated-decomposition-of-the-syn-ch-3-choo-criegee-intermediate-2106.13005</loc><lastmod>2021-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-and-vibrationally-activated-decomposition-of-the-syn-ch-3-choo-criegee-intermediate-2106.13005"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-and-vibrationally-activated-decomposition-of-the-syn-ch-3-choo-criegee-intermediate-2106.13005"/></url>
<url><loc>https://scifaro.com/en/abs/a-polarizable-water-potential-derived-from-a-model-electron-density-2106.13116</loc><lastmod>2021-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-polarizable-water-potential-derived-from-a-model-electron-density-2106.13116"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-polarizable-water-potential-derived-from-a-model-electron-density-2106.13116"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-effects-in-the-quantum-dynamics-of-the-h-d-2-charge-transfer-reaction-2106.13190</loc><lastmod>2021-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-effects-in-the-quantum-dynamics-of-the-h-d-2-charge-transfer-reaction-2106.13190"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-effects-in-the-quantum-dynamics-of-the-h-d-2-charge-transfer-reaction-2106.13190"/></url>
<url><loc>https://scifaro.com/en/abs/realistic-molecule-optimization-on-a-learned-graph-manifold-2106.13318</loc><lastmod>2021-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/realistic-molecule-optimization-on-a-learned-graph-manifold-2106.13318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/realistic-molecule-optimization-on-a-learned-graph-manifold-2106.13318"/></url>
<url><loc>https://scifaro.com/en/abs/chromatographic-motion-of-substances-involved-in-sequential-first-order-reactions-2106.13599</loc><lastmod>2021-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chromatographic-motion-of-substances-involved-in-sequential-first-order-reactions-2106.13599"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chromatographic-motion-of-substances-involved-in-sequential-first-order-reactions-2106.13599"/></url>
<url><loc>https://scifaro.com/en/abs/a-similarity-transformed-second-order-approximate-coupled-cluster-method-for-the-excited-states-theory-implementation-and-benchmark-2106.13630</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-similarity-transformed-second-order-approximate-coupled-cluster-method-for-the-excited-states-theory-implementation-and-benchmark-2106.13630"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-similarity-transformed-second-order-approximate-coupled-cluster-method-for-the-excited-states-theory-implementation-and-benchmark-2106.13630"/></url>
<url><loc>https://scifaro.com/en/abs/inelastic-neutron-scattering-analysis-with-time-dependent-gaussian-field-models-2106.13688</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inelastic-neutron-scattering-analysis-with-time-dependent-gaussian-field-models-2106.13688"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inelastic-neutron-scattering-analysis-with-time-dependent-gaussian-field-models-2106.13688"/></url>
<url><loc>https://scifaro.com/en/abs/minimizing-the-time-dependent-density-functional-error-in-ehrenfest-dynamics-2106.13752</loc><lastmod>2021-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/minimizing-the-time-dependent-density-functional-error-in-ehrenfest-dynamics-2106.13752"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/minimizing-the-time-dependent-density-functional-error-in-ehrenfest-dynamics-2106.13752"/></url>
<url><loc>https://scifaro.com/en/abs/the-importance-of-nuclear-quantum-effects-for-nmr-crystallography-2106.14171</loc><lastmod>2022-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-importance-of-nuclear-quantum-effects-for-nmr-crystallography-2106.14171"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-importance-of-nuclear-quantum-effects-for-nmr-crystallography-2106.14171"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-fields-and-new-enantio-sensitive-observables-in-photoionization-of-chiral-molecules-2106.14264</loc><lastmod>2021-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-fields-and-new-enantio-sensitive-observables-in-photoionization-of-chiral-molecules-2106.14264"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-fields-and-new-enantio-sensitive-observables-in-photoionization-of-chiral-molecules-2106.14264"/></url>
<url><loc>https://scifaro.com/en/abs/exact-simulation-of-pigment-protein-complexes-unveils-vibronic-renormalization-of-electronic-parameters-in-ultrafast-spectroscopy-2106.14286</loc><lastmod>2022-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-simulation-of-pigment-protein-complexes-unveils-vibronic-renormalization-of-electronic-parameters-in-ultrafast-spectroscopy-2106.14286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-simulation-of-pigment-protein-complexes-unveils-vibronic-renormalization-of-electronic-parameters-in-ultrafast-spectroscopy-2106.14286"/></url>
<url><loc>https://scifaro.com/en/abs/litegem-lite-geometry-enhanced-molecular-representation-learning-for-quantum-property-prediction-2106.14494</loc><lastmod>2021-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/litegem-lite-geometry-enhanced-molecular-representation-learning-for-quantum-property-prediction-2106.14494"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/litegem-lite-geometry-enhanced-molecular-representation-learning-for-quantum-property-prediction-2106.14494"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-quantum-effects-on-the-quasiparticle-properties-of-the-chloride-anion-aqueous-solution-within-the-gw-approximation-2106.14926</loc><lastmod>2021-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-quantum-effects-on-the-quasiparticle-properties-of-the-chloride-anion-aqueous-solution-within-the-gw-approximation-2106.14926"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-quantum-effects-on-the-quasiparticle-properties-of-the-chloride-anion-aqueous-solution-within-the-gw-approximation-2106.14926"/></url>
<url><loc>https://scifaro.com/en/abs/adaptive-intermolecular-interaction-parameters-for-accurate-mixture-density-functional-theory-calculations-2106.15960</loc><lastmod>2022-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adaptive-intermolecular-interaction-parameters-for-accurate-mixture-density-functional-theory-calculations-2106.15960"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adaptive-intermolecular-interaction-parameters-for-accurate-mixture-density-functional-theory-calculations-2106.15960"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-the-derivative-discontinuity-of-density-functional-theory-2106.16075</loc><lastmod>2025-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-the-derivative-discontinuity-of-density-functional-theory-2106.16075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-the-derivative-discontinuity-of-density-functional-theory-2106.16075"/></url>
<url><loc>https://scifaro.com/en/abs/limitations-of-coupled-cluster-approximations-for-highlyaccurate-investigations-of-rb-2-2107.00103</loc><lastmod>2021-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/limitations-of-coupled-cluster-approximations-for-highlyaccurate-investigations-of-rb-2-2107.00103"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/limitations-of-coupled-cluster-approximations-for-highlyaccurate-investigations-of-rb-2-2107.00103"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-symmetric-quasi-classical-approach-to-investigate-molecular-tully-models-2107.00107</loc><lastmod>2021-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-symmetric-quasi-classical-approach-to-investigate-molecular-tully-models-2107.00107"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-symmetric-quasi-classical-approach-to-investigate-molecular-tully-models-2107.00107"/></url>
<url><loc>https://scifaro.com/en/abs/computing-molecular-excited-states-on-a-d-wave-quantum-annealer-2107.00162</loc><lastmod>2021-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computing-molecular-excited-states-on-a-d-wave-quantum-annealer-2107.00162"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computing-molecular-excited-states-on-a-d-wave-quantum-annealer-2107.00162"/></url>
<url><loc>https://scifaro.com/en/abs/stereodynamic-control-of-cold-rotationally-inelastic-co-hd-collisions-2107.00259</loc><lastmod>2021-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stereodynamic-control-of-cold-rotationally-inelastic-co-hd-collisions-2107.00259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stereodynamic-control-of-cold-rotationally-inelastic-co-hd-collisions-2107.00259"/></url>
<url><loc>https://scifaro.com/en/abs/orbnet-denali-a-machine-learning-potential-for-biological-and-organic-chemistry-with-semi-empirical-cost-and-dft-accuracy-2107.00299</loc><lastmod>2021-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbnet-denali-a-machine-learning-potential-for-biological-and-organic-chemistry-with-semi-empirical-cost-and-dft-accuracy-2107.00299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbnet-denali-a-machine-learning-potential-for-biological-and-organic-chemistry-with-semi-empirical-cost-and-dft-accuracy-2107.00299"/></url>
<url><loc>https://scifaro.com/en/abs/qmugs-quantum-mechanical-properties-of-drug-like-molecules-2107.00367</loc><lastmod>2021-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qmugs-quantum-mechanical-properties-of-drug-like-molecules-2107.00367"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qmugs-quantum-mechanical-properties-of-drug-like-molecules-2107.00367"/></url>
<url><loc>https://scifaro.com/en/abs/excited-rotational-states-of-molecules-in-a-superfluid-2107.00468</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-rotational-states-of-molecules-in-a-superfluid-2107.00468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-rotational-states-of-molecules-in-a-superfluid-2107.00468"/></url>
<url><loc>https://scifaro.com/en/abs/high-order-geometric-integrators-for-representation-free-ehrenfest-dynamics-2107.00607</loc><lastmod>2021-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-order-geometric-integrators-for-representation-free-ehrenfest-dynamics-2107.00607"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-order-geometric-integrators-for-representation-free-ehrenfest-dynamics-2107.00607"/></url>
<url><loc>https://scifaro.com/en/abs/a-thermofield-based-multilayer-multiconfigurational-time-dependent-hartree-approach-to-non-adiabatic-quantum-dynamics-at-finite-temperature-2107.00617</loc><lastmod>2021-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-thermofield-based-multilayer-multiconfigurational-time-dependent-hartree-approach-to-non-adiabatic-quantum-dynamics-at-finite-temperature-2107.00617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-thermofield-based-multilayer-multiconfigurational-time-dependent-hartree-approach-to-non-adiabatic-quantum-dynamics-at-finite-temperature-2107.00617"/></url>
<url><loc>https://scifaro.com/en/abs/towards-highly-accurate-calculations-of-parity-violation-in-chiral-molecules-relativistic-coupled-cluster-theory-including-qed-effects-2107.00682</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-highly-accurate-calculations-of-parity-violation-in-chiral-molecules-relativistic-coupled-cluster-theory-including-qed-effects-2107.00682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-highly-accurate-calculations-of-parity-violation-in-chiral-molecules-relativistic-coupled-cluster-theory-including-qed-effects-2107.00682"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-distance-matrix-prediction-based-on-graph-convolutional-networks-2107.01035</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-distance-matrix-prediction-based-on-graph-convolutional-networks-2107.01035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-distance-matrix-prediction-based-on-graph-convolutional-networks-2107.01035"/></url>
<url><loc>https://scifaro.com/en/abs/a-chemical-nano-reactor-based-on-a-levitated-nanoparticle-in-vacuum-2107.01084</loc><lastmod>2023-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-chemical-nano-reactor-based-on-a-levitated-nanoparticle-in-vacuum-2107.01084"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-chemical-nano-reactor-based-on-a-levitated-nanoparticle-in-vacuum-2107.01084"/></url>
<url><loc>https://scifaro.com/en/abs/conditional-wavefunction-theory-a-unified-treatment-of-molecular-structure-and-nonadiabatic-dynamics-2107.01094</loc><lastmod>2021-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conditional-wavefunction-theory-a-unified-treatment-of-molecular-structure-and-nonadiabatic-dynamics-2107.01094"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conditional-wavefunction-theory-a-unified-treatment-of-molecular-structure-and-nonadiabatic-dynamics-2107.01094"/></url>
<url><loc>https://scifaro.com/en/abs/unitary-coupled-cluster-based-self-consistent-polarization-propagator-theory-a-quadratic-unitary-coupled-cluster-singles-and-doubles-scheme-2107.01099</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unitary-coupled-cluster-based-self-consistent-polarization-propagator-theory-a-quadratic-unitary-coupled-cluster-singles-and-doubles-scheme-2107.01099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unitary-coupled-cluster-based-self-consistent-polarization-propagator-theory-a-quadratic-unitary-coupled-cluster-singles-and-doubles-scheme-2107.01099"/></url>
<url><loc>https://scifaro.com/en/abs/highly-accurate-potential-energy-curves-for-the-hydrogen-molecule-ion-2107.01228</loc><lastmod>2022-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-accurate-potential-energy-curves-for-the-hydrogen-molecule-ion-2107.01228"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-accurate-potential-energy-curves-for-the-hydrogen-molecule-ion-2107.01228"/></url>
<url><loc>https://scifaro.com/en/abs/photo-de-mixing-in-dion-jacobson-two-dimensional-mixed-halide-perovskites-2107.01260</loc><lastmod>2021-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photo-de-mixing-in-dion-jacobson-two-dimensional-mixed-halide-perovskites-2107.01260"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photo-de-mixing-in-dion-jacobson-two-dimensional-mixed-halide-perovskites-2107.01260"/></url>
<url><loc>https://scifaro.com/en/abs/carbon-dioxide-clathrate-hydrate-formation-at-low-temperature-diffusion-limited-kinetics-growth-as-monitored-by-ftir-2107.01377</loc><lastmod>2021-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/carbon-dioxide-clathrate-hydrate-formation-at-low-temperature-diffusion-limited-kinetics-growth-as-monitored-by-ftir-2107.01377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/carbon-dioxide-clathrate-hydrate-formation-at-low-temperature-diffusion-limited-kinetics-growth-as-monitored-by-ftir-2107.01377"/></url>
<url><loc>https://scifaro.com/en/abs/classical-threshold-law-for-the-formation-of-van-der-waals-molecules-2107.02048</loc><lastmod>2021-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classical-threshold-law-for-the-formation-of-van-der-waals-molecules-2107.02048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classical-threshold-law-for-the-formation-of-van-der-waals-molecules-2107.02048"/></url>
<url><loc>https://scifaro.com/en/abs/reactivity-of-ru-oxides-with-air-radiolysis-products-investigated-by-theoretical-calculations-2107.02631</loc><lastmod>2021-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactivity-of-ru-oxides-with-air-radiolysis-products-investigated-by-theoretical-calculations-2107.02631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactivity-of-ru-oxides-with-air-radiolysis-products-investigated-by-theoretical-calculations-2107.02631"/></url>
<url><loc>https://scifaro.com/en/abs/neutron-imaging-of-paramagnetic-ions-electrosorption-by-carbon-aerogels-and-macroscopic-magnetic-forces-2107.02770</loc><lastmod>2024-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neutron-imaging-of-paramagnetic-ions-electrosorption-by-carbon-aerogels-and-macroscopic-magnetic-forces-2107.02770"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neutron-imaging-of-paramagnetic-ions-electrosorption-by-carbon-aerogels-and-macroscopic-magnetic-forces-2107.02770"/></url>
<url><loc>https://scifaro.com/en/abs/commutator-matrix-in-phase-space-mapping-models-for-nonadiabatic-quantum-dynamics-2107.03142</loc><lastmod>2021-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/commutator-matrix-in-phase-space-mapping-models-for-nonadiabatic-quantum-dynamics-2107.03142"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/commutator-matrix-in-phase-space-mapping-models-for-nonadiabatic-quantum-dynamics-2107.03142"/></url>
<url><loc>https://scifaro.com/en/abs/azobenzene-photoisomerization-probes-cell-membrane-nanoviscosity-2107.03205</loc><lastmod>2022-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/azobenzene-photoisomerization-probes-cell-membrane-nanoviscosity-2107.03205"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/azobenzene-photoisomerization-probes-cell-membrane-nanoviscosity-2107.03205"/></url>
<url><loc>https://scifaro.com/en/abs/the-microscopic-origin-of-anomalous-properties-of-ice-relies-on-the-strong-quantum-anharmonic-regime-of-atomic-vibrations-2107.03302</loc><lastmod>2022-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-microscopic-origin-of-anomalous-properties-of-ice-relies-on-the-strong-quantum-anharmonic-regime-of-atomic-vibrations-2107.03302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-microscopic-origin-of-anomalous-properties-of-ice-relies-on-the-strong-quantum-anharmonic-regime-of-atomic-vibrations-2107.03302"/></url>
<url><loc>https://scifaro.com/en/abs/conformer-specific-chemistry-imaged-in-real-space-and-time-2107.03592</loc><lastmod>2021-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformer-specific-chemistry-imaged-in-real-space-and-time-2107.03592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformer-specific-chemistry-imaged-in-real-space-and-time-2107.03592"/></url>
<url><loc>https://scifaro.com/en/abs/highly-sensitive-fluorescent-ph-microsensor-based-on-the-ratiometric-dye-pyranine-immobilized-on-silica-microparticles-2107.03672</loc><lastmod>2021-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-sensitive-fluorescent-ph-microsensor-based-on-the-ratiometric-dye-pyranine-immobilized-on-silica-microparticles-2107.03672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-sensitive-fluorescent-ph-microsensor-based-on-the-ratiometric-dye-pyranine-immobilized-on-silica-microparticles-2107.03672"/></url>
<url><loc>https://scifaro.com/en/abs/neural-network-potentials-a-concise-overview-of-methods-2107.03727</loc><lastmod>2021-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-network-potentials-a-concise-overview-of-methods-2107.03727"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-network-potentials-a-concise-overview-of-methods-2107.03727"/></url>
<url><loc>https://scifaro.com/en/abs/irradiation-driven-molecular-dynamics-a-review-2107.03817</loc><lastmod>2023-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/irradiation-driven-molecular-dynamics-a-review-2107.03817"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/irradiation-driven-molecular-dynamics-a-review-2107.03817"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-vibrational-polariton-chemistry-in-the-collective-coupling-regime-2107.04156</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-vibrational-polariton-chemistry-in-the-collective-coupling-regime-2107.04156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-vibrational-polariton-chemistry-in-the-collective-coupling-regime-2107.04156"/></url>
<url><loc>https://scifaro.com/en/abs/multireference-algebraic-diagrammatic-construction-theory-for-excited-states-extended-second-order-implementation-and-benchmark-2107.04196</loc><lastmod>2021-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multireference-algebraic-diagrammatic-construction-theory-for-excited-states-extended-second-order-implementation-and-benchmark-2107.04196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multireference-algebraic-diagrammatic-construction-theory-for-excited-states-extended-second-order-implementation-and-benchmark-2107.04196"/></url>
<url><loc>https://scifaro.com/en/abs/nmr-relaxation-rates-of-quadrupolar-aqueous-ions-from-classical-molecular-dynamics-using-force-field-specific-sternheimer-factors-2107.04355</loc><lastmod>2021-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nmr-relaxation-rates-of-quadrupolar-aqueous-ions-from-classical-molecular-dynamics-using-force-field-specific-sternheimer-factors-2107.04355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nmr-relaxation-rates-of-quadrupolar-aqueous-ions-from-classical-molecular-dynamics-using-force-field-specific-sternheimer-factors-2107.04355"/></url>
<url><loc>https://scifaro.com/en/abs/improving-sabre-hyperpolarization-with-highly-non-intuitive-pulse-sequences-moving-beyond-avoided-crossings-to-describe-dynamics-2107.04687</loc><lastmod>2021-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-sabre-hyperpolarization-with-highly-non-intuitive-pulse-sequences-moving-beyond-avoided-crossings-to-describe-dynamics-2107.04687"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-sabre-hyperpolarization-with-highly-non-intuitive-pulse-sequences-moving-beyond-avoided-crossings-to-describe-dynamics-2107.04687"/></url>
<url><loc>https://scifaro.com/en/abs/absorption-spectra-of-solids-from-periodic-equation-of-motion-coupled-cluster-theory-2107.04740</loc><lastmod>2021-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absorption-spectra-of-solids-from-periodic-equation-of-motion-coupled-cluster-theory-2107.04740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absorption-spectra-of-solids-from-periodic-equation-of-motion-coupled-cluster-theory-2107.04740"/></url>
<url><loc>https://scifaro.com/en/abs/gradient-domain-machine-learning-with-composite-kernels-improving-the-accuracy-of-pes-and-force-fields-for-large-molecules-2107.04779</loc><lastmod>2023-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gradient-domain-machine-learning-with-composite-kernels-improving-the-accuracy-of-pes-and-force-fields-for-large-molecules-2107.04779"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gradient-domain-machine-learning-with-composite-kernels-improving-the-accuracy-of-pes-and-force-fields-for-large-molecules-2107.04779"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-green-s-function-past-present-and-future-2107.04968</loc><lastmod>2021-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-green-s-function-past-present-and-future-2107.04968"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-green-s-function-past-present-and-future-2107.04968"/></url>
<url><loc>https://scifaro.com/en/abs/generating-stable-molecules-using-imitation-and-reinforcement-learning-2107.05007</loc><lastmod>2021-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generating-stable-molecules-using-imitation-and-reinforcement-learning-2107.05007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generating-stable-molecules-using-imitation-and-reinforcement-learning-2107.05007"/></url>
<url><loc>https://scifaro.com/en/abs/relative-binding-free-energy-calculations-for-ligands-with-diverse-scaffolds-with-the-alchemical-transfer-method-2107.05153</loc><lastmod>2021-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relative-binding-free-energy-calculations-for-ligands-with-diverse-scaffolds-with-the-alchemical-transfer-method-2107.05153"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relative-binding-free-energy-calculations-for-ligands-with-diverse-scaffolds-with-the-alchemical-transfer-method-2107.05153"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-the-alchemical-transfer-and-potential-of-mean-force-methods-to-the-sampl8-host-guest-blinded-challenge-2107.05155</loc><lastmod>2022-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-the-alchemical-transfer-and-potential-of-mean-force-methods-to-the-sampl8-host-guest-blinded-challenge-2107.05155"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-the-alchemical-transfer-and-potential-of-mean-force-methods-to-the-sampl8-host-guest-blinded-challenge-2107.05155"/></url>
<url><loc>https://scifaro.com/en/abs/strong-coupling-between-localized-surface-plasmons-and-molecules-by-coupled-cluster-theory-2107.05282</loc><lastmod>2021-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-coupling-between-localized-surface-plasmons-and-molecules-by-coupled-cluster-theory-2107.05282"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-coupling-between-localized-surface-plasmons-and-molecules-by-coupled-cluster-theory-2107.05282"/></url>
<url><loc>https://scifaro.com/en/abs/double-and-charge-transfer-excitations-in-time-dependent-density-functional-theory-2107.05600</loc><lastmod>2021-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-and-charge-transfer-excitations-in-time-dependent-density-functional-theory-2107.05600"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-and-charge-transfer-excitations-in-time-dependent-density-functional-theory-2107.05600"/></url>
<url><loc>https://scifaro.com/en/abs/untargeted-effects-in-organic-exciton-polariton-transient-spectroscopy-a-cautionary-tale-2107.05708</loc><lastmod>2021-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/untargeted-effects-in-organic-exciton-polariton-transient-spectroscopy-a-cautionary-tale-2107.05708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/untargeted-effects-in-organic-exciton-polariton-transient-spectroscopy-a-cautionary-tale-2107.05708"/></url>
<url><loc>https://scifaro.com/en/abs/emerging-oscillating-reactions-at-the-insulator-semiconductor-solid-solid-interface-via-proton-implantation-2107.05867</loc><lastmod>2021-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/emerging-oscillating-reactions-at-the-insulator-semiconductor-solid-solid-interface-via-proton-implantation-2107.05867"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/emerging-oscillating-reactions-at-the-insulator-semiconductor-solid-solid-interface-via-proton-implantation-2107.05867"/></url>
<url><loc>https://scifaro.com/en/abs/a-ccsd-t-based-permutationally-invariant-polynomial-4-body-potential-for-water-2107.05881</loc><lastmod>2021-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-ccsd-t-based-permutationally-invariant-polynomial-4-body-potential-for-water-2107.05881"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-ccsd-t-based-permutationally-invariant-polynomial-4-body-potential-for-water-2107.05881"/></url>
<url><loc>https://scifaro.com/en/abs/a-computational-study-of-the-reaction-cyanoacetylene-and-cyano-radical-leading-to-2-butynedinitrile-and-hydrogen-radical-2107.06003</loc><lastmod>2021-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-computational-study-of-the-reaction-cyanoacetylene-and-cyano-radical-leading-to-2-butynedinitrile-and-hydrogen-radical-2107.06003"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-computational-study-of-the-reaction-cyanoacetylene-and-cyano-radical-leading-to-2-butynedinitrile-and-hydrogen-radical-2107.06003"/></url>
<url><loc>https://scifaro.com/en/abs/quantitative-electronic-structure-and-work-function-changes-of-liquid-water-induced-by-solute-2107.06161</loc><lastmod>2022-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantitative-electronic-structure-and-work-function-changes-of-liquid-water-induced-by-solute-2107.06161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantitative-electronic-structure-and-work-function-changes-of-liquid-water-induced-by-solute-2107.06161"/></url>
<url><loc>https://scifaro.com/en/abs/arrhenius-jl-a-differentiable-combustion-simulationpackage-2107.06172</loc><lastmod>2021-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/arrhenius-jl-a-differentiable-combustion-simulationpackage-2107.06172"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/arrhenius-jl-a-differentiable-combustion-simulationpackage-2107.06172"/></url>
<url><loc>https://scifaro.com/en/abs/learning-intermolecular-forces-at-liquid-vapor-interfaces-2107.06208</loc><lastmod>2021-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-intermolecular-forces-at-liquid-vapor-interfaces-2107.06208"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-intermolecular-forces-at-liquid-vapor-interfaces-2107.06208"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-non-adiabatic-effects-on-linear-absorption-spectra-in-the-condensed-phase-methylene-blue-2107.06587</loc><lastmod>2021-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-non-adiabatic-effects-on-linear-absorption-spectra-in-the-condensed-phase-methylene-blue-2107.06587"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-non-adiabatic-effects-on-linear-absorption-spectra-in-the-condensed-phase-methylene-blue-2107.06587"/></url>
<url><loc>https://scifaro.com/en/abs/disentangle-pathways-in-strong-field-molecular-photoionization-byangular-distribution-of-dissociation-fragments-2107.06763</loc><lastmod>2021-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/disentangle-pathways-in-strong-field-molecular-photoionization-byangular-distribution-of-dissociation-fragments-2107.06763"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/disentangle-pathways-in-strong-field-molecular-photoionization-byangular-distribution-of-dissociation-fragments-2107.06763"/></url>
<url><loc>https://scifaro.com/en/abs/strong-light-matter-interaction-effects-on-molecular-ensembles-2107.07032</loc><lastmod>2021-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-light-matter-interaction-effects-on-molecular-ensembles-2107.07032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-light-matter-interaction-effects-on-molecular-ensembles-2107.07032"/></url>
<url><loc>https://scifaro.com/en/abs/the-reducing-role-of-hydrogen-peroxide-on-the-formation-of-gold-nanostructures-in-aqueous-microdroplets-with-dissolved-tetrachloroaurate-ions-2107.07134</loc><lastmod>2021-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-reducing-role-of-hydrogen-peroxide-on-the-formation-of-gold-nanostructures-in-aqueous-microdroplets-with-dissolved-tetrachloroaurate-ions-2107.07134"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-reducing-role-of-hydrogen-peroxide-on-the-formation-of-gold-nanostructures-in-aqueous-microdroplets-with-dissolved-tetrachloroaurate-ions-2107.07134"/></url>
<url><loc>https://scifaro.com/en/abs/magnetic-properties-of-m-4-coordination-clusters-with-different-magnetic-cores-m-co-mn-2107.07237</loc><lastmod>2021-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetic-properties-of-m-4-coordination-clusters-with-different-magnetic-cores-m-co-mn-2107.07237"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetic-properties-of-m-4-coordination-clusters-with-different-magnetic-cores-m-co-mn-2107.07237"/></url>
<url><loc>https://scifaro.com/en/abs/speeding-up-reactive-transport-simulations-in-cement-systems-by-surrogate-geochemical-modeling-deep-neural-networks-and-k-nearest-neighbors-2107.07598</loc><lastmod>2021-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speeding-up-reactive-transport-simulations-in-cement-systems-by-surrogate-geochemical-modeling-deep-neural-networks-and-k-nearest-neighbors-2107.07598"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speeding-up-reactive-transport-simulations-in-cement-systems-by-surrogate-geochemical-modeling-deep-neural-networks-and-k-nearest-neighbors-2107.07598"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-coupled-cluster-green-s-function-as-a-method-for-treating-system-and-environment-in-green-s-function-embedding-methods-2107.07891</loc><lastmod>2022-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-coupled-cluster-green-s-function-as-a-method-for-treating-system-and-environment-in-green-s-function-embedding-methods-2107.07891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-coupled-cluster-green-s-function-as-a-method-for-treating-system-and-environment-in-green-s-function-embedding-methods-2107.07891"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-nature-of-molecular-vibrational-quenching-water-molecular-hydrogen-collisions-2107.08044</loc><lastmod>2022-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-nature-of-molecular-vibrational-quenching-water-molecular-hydrogen-collisions-2107.08044"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-nature-of-molecular-vibrational-quenching-water-molecular-hydrogen-collisions-2107.08044"/></url>
<url><loc>https://scifaro.com/en/abs/gas-adsorption-on-graphtriyne-membrane-impact-of-the-induction-interaction-term-on-the-computational-cost-2107.08904</loc><lastmod>2021-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gas-adsorption-on-graphtriyne-membrane-impact-of-the-induction-interaction-term-on-the-computational-cost-2107.08904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gas-adsorption-on-graphtriyne-membrane-impact-of-the-induction-interaction-term-on-the-computational-cost-2107.08904"/></url>
<url><loc>https://scifaro.com/en/abs/variational-analysis-of-hf-dimer-tunneling-rotational-spectra-using-an-ab-initio-potential-energy-surface-2107.09014</loc><lastmod>2021-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-analysis-of-hf-dimer-tunneling-rotational-spectra-using-an-ab-initio-potential-energy-surface-2107.09014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-analysis-of-hf-dimer-tunneling-rotational-spectra-using-an-ab-initio-potential-energy-surface-2107.09014"/></url>
<url><loc>https://scifaro.com/en/abs/a-roadmap-toward-the-theory-of-vibrational-polariton-chemistry-2107.09026</loc><lastmod>2021-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-roadmap-toward-the-theory-of-vibrational-polariton-chemistry-2107.09026"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-roadmap-toward-the-theory-of-vibrational-polariton-chemistry-2107.09026"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-evolution-of-signal-amplification-by-reversible-exchange-in-two-alternating-fields-alt-sabre-2107.09294</loc><lastmod>2024-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-evolution-of-signal-amplification-by-reversible-exchange-in-two-alternating-fields-alt-sabre-2107.09294"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-evolution-of-signal-amplification-by-reversible-exchange-in-two-alternating-fields-alt-sabre-2107.09294"/></url>
<url><loc>https://scifaro.com/en/abs/is-ccsd-t-a-proper-standard-for-dipole-moment-calculations-an-analysis-considering-diverse-diatomic-species-2107.09570</loc><lastmod>2021-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-ccsd-t-a-proper-standard-for-dipole-moment-calculations-an-analysis-considering-diverse-diatomic-species-2107.09570"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-ccsd-t-a-proper-standard-for-dipole-moment-calculations-an-analysis-considering-diverse-diatomic-species-2107.09570"/></url>
<url><loc>https://scifaro.com/en/abs/tight-distance-dependent-estimators-for-screening-two-center-and-three-center-short-range-coulomb-integrals-over-gaussian-basis-functions-2107.09704</loc><lastmod>2021-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tight-distance-dependent-estimators-for-screening-two-center-and-three-center-short-range-coulomb-integrals-over-gaussian-basis-functions-2107.09704"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tight-distance-dependent-estimators-for-screening-two-center-and-three-center-short-range-coulomb-integrals-over-gaussian-basis-functions-2107.09704"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-the-electrolysis-and-enzymatic-hydrolysis-in-the-enhancement-of-the-electrochemical-properties-of-3d-printed-carbon-black-poly-lactic-acid-structures-2107.10048</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-the-electrolysis-and-enzymatic-hydrolysis-in-the-enhancement-of-the-electrochemical-properties-of-3d-printed-carbon-black-poly-lactic-acid-structures-2107.10048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-the-electrolysis-and-enzymatic-hydrolysis-in-the-enhancement-of-the-electrochemical-properties-of-3d-printed-carbon-black-poly-lactic-acid-structures-2107.10048"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-trajectory-behaviour-via-machine-learned-invariant-manifolds-2107.10154</loc><lastmod>2022-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-trajectory-behaviour-via-machine-learned-invariant-manifolds-2107.10154"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-trajectory-behaviour-via-machine-learned-invariant-manifolds-2107.10154"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemistry-augmented-neural-networks-for-reactivity-prediction-performance-generalizability-and-interpretability-2107.10402</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemistry-augmented-neural-networks-for-reactivity-prediction-performance-generalizability-and-interpretability-2107.10402"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemistry-augmented-neural-networks-for-reactivity-prediction-performance-generalizability-and-interpretability-2107.10402"/></url>
<url><loc>https://scifaro.com/en/abs/scalable-molecular-gw-calculations-valence-and-core-spectra-2107.10423</loc><lastmod>2021-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scalable-molecular-gw-calculations-valence-and-core-spectra-2107.10423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scalable-molecular-gw-calculations-valence-and-core-spectra-2107.10423"/></url>
<url><loc>https://scifaro.com/en/abs/x-ray-induced-desorption-and-photochemistry-in-co-ice-2107.10503</loc><lastmod>2021-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/x-ray-induced-desorption-and-photochemistry-in-co-ice-2107.10503"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/x-ray-induced-desorption-and-photochemistry-in-co-ice-2107.10503"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-of-carbon-condensation-in-detonation-of-high-explosives-first-order-phase-transition-theory-perspective-2107.10928</loc><lastmod>2022-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-of-carbon-condensation-in-detonation-of-high-explosives-first-order-phase-transition-theory-perspective-2107.10928"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-of-carbon-condensation-in-detonation-of-high-explosives-first-order-phase-transition-theory-perspective-2107.10928"/></url>
<url><loc>https://scifaro.com/en/abs/high-level-coupled-cluster-energetics-by-merging-moment-expansions-with-selected-configuration-interaction-2107.10994</loc><lastmod>2022-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-level-coupled-cluster-energetics-by-merging-moment-expansions-with-selected-configuration-interaction-2107.10994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-level-coupled-cluster-energetics-by-merging-moment-expansions-with-selected-configuration-interaction-2107.10994"/></url>
<url><loc>https://scifaro.com/en/abs/the-initial-charge-separation-step-in-oxygenic-photosynthesis-2107.11112</loc><lastmod>2022-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-initial-charge-separation-step-in-oxygenic-photosynthesis-2107.11112"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-initial-charge-separation-step-in-oxygenic-photosynthesis-2107.11112"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-rovibronic-spectroscopy-of-the-calcium-monohydroxide-radical-caoh-2107.11166</loc><lastmod>2021-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-rovibronic-spectroscopy-of-the-calcium-monohydroxide-radical-caoh-2107.11166"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-rovibronic-spectroscopy-of-the-calcium-monohydroxide-radical-caoh-2107.11166"/></url>
<url><loc>https://scifaro.com/en/abs/toward-a-complete-and-comprehensive-cross-section-database-for-electron-scattering-from-no-using-machine-learning-2107.11178</loc><lastmod>2021-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-a-complete-and-comprehensive-cross-section-database-for-electron-scattering-from-no-using-machine-learning-2107.11178"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-a-complete-and-comprehensive-cross-section-database-for-electron-scattering-from-no-using-machine-learning-2107.11178"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-spectra-of-ytterbium-fluoride-from-relativistic-electronic-structure-calculations-2107.11234</loc><lastmod>2023-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-spectra-of-ytterbium-fluoride-from-relativistic-electronic-structure-calculations-2107.11234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-spectra-of-ytterbium-fluoride-from-relativistic-electronic-structure-calculations-2107.11234"/></url>
<url><loc>https://scifaro.com/en/abs/improving-perturbation-theory-for-open-shell-molecules-via-self-consistency-2107.11260</loc><lastmod>2021-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-perturbation-theory-for-open-shell-molecules-via-self-consistency-2107.11260"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-perturbation-theory-for-open-shell-molecules-via-self-consistency-2107.11260"/></url>
<url><loc>https://scifaro.com/en/abs/the-microscopic-mechanism-of-bulk-melting-of-ice-2107.11808</loc><lastmod>2021-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-microscopic-mechanism-of-bulk-melting-of-ice-2107.11808"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-microscopic-mechanism-of-bulk-melting-of-ice-2107.11808"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-deep-learning-on-molecular-representations-2107.12375</loc><lastmod>2022-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-deep-learning-on-molecular-representations-2107.12375"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-deep-learning-on-molecular-representations-2107.12375"/></url>
<url><loc>https://scifaro.com/en/abs/melanina-um-pigmento-natural-multifuncional-2107.12481</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/melanina-um-pigmento-natural-multifuncional-2107.12481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/melanina-um-pigmento-natural-multifuncional-2107.12481"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-phase-transitions-of-the-ionic-liquid-1-ethyl-3-methylimidazolium-dicyanamide-2107.12573</loc><lastmod>2021-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-phase-transitions-of-the-ionic-liquid-1-ethyl-3-methylimidazolium-dicyanamide-2107.12573"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-phase-transitions-of-the-ionic-liquid-1-ethyl-3-methylimidazolium-dicyanamide-2107.12573"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-energy-gradient-for-state-averaged-orbital-optimized-variational-quantum-eigensolvers-and-its-application-to-a-photochemical-reaction-2107.12705</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-energy-gradient-for-state-averaged-orbital-optimized-variational-quantum-eigensolvers-and-its-application-to-a-photochemical-reaction-2107.12705"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-energy-gradient-for-state-averaged-orbital-optimized-variational-quantum-eigensolvers-and-its-application-to-a-photochemical-reaction-2107.12705"/></url>
<url><loc>https://scifaro.com/en/abs/phase-coherent-excitation-of-sabre-permits-simultaneous-hyperpolarization-of-multiple-targets-at-high-magnetic-field-2107.13040</loc><lastmod>2022-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-coherent-excitation-of-sabre-permits-simultaneous-hyperpolarization-of-multiple-targets-at-high-magnetic-field-2107.13040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-coherent-excitation-of-sabre-permits-simultaneous-hyperpolarization-of-multiple-targets-at-high-magnetic-field-2107.13040"/></url>
<url><loc>https://scifaro.com/en/abs/practical-treatment-of-singlet-oxygen-with-density-functional-theory-and-the-multiplet-sum-method-2107.13056</loc><lastmod>2021-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/practical-treatment-of-singlet-oxygen-with-density-functional-theory-and-the-multiplet-sum-method-2107.13056"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/practical-treatment-of-singlet-oxygen-with-density-functional-theory-and-the-multiplet-sum-method-2107.13056"/></url>
<url><loc>https://scifaro.com/en/abs/grassmann-extrapolation-of-density-matrices-for-born-oppenheimer-molecular-dynamics-2107.13218</loc><lastmod>2021-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/grassmann-extrapolation-of-density-matrices-for-born-oppenheimer-molecular-dynamics-2107.13218"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/grassmann-extrapolation-of-density-matrices-for-born-oppenheimer-molecular-dynamics-2107.13218"/></url>
<url><loc>https://scifaro.com/en/abs/self-interaction-corrected-kohn-sham-effective-potentials-using-the-density-consistent-effective-potential-method-2107.13631</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-interaction-corrected-kohn-sham-effective-potentials-using-the-density-consistent-effective-potential-method-2107.13631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-interaction-corrected-kohn-sham-effective-potentials-using-the-density-consistent-effective-potential-method-2107.13631"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-artificial-neural-network-in-the-control-and-optimization-of-distillation-tower-2107.13713</loc><lastmod>2021-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-artificial-neural-network-in-the-control-and-optimization-of-distillation-tower-2107.13713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-artificial-neural-network-in-the-control-and-optimization-of-distillation-tower-2107.13713"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-alkyl-group-flexibility-on-the-melting-point-of-imidazolium-based-ionic-liquids-2107.13795</loc><lastmod>2021-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-alkyl-group-flexibility-on-the-melting-point-of-imidazolium-based-ionic-liquids-2107.13795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-alkyl-group-flexibility-on-the-melting-point-of-imidazolium-based-ionic-liquids-2107.13795"/></url>
<url><loc>https://scifaro.com/en/abs/conformer-specific-polar-cycloaddition-of-dibromobutadiene-with-trapped-propene-ions-2107.13858</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformer-specific-polar-cycloaddition-of-dibromobutadiene-with-trapped-propene-ions-2107.13858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformer-specific-polar-cycloaddition-of-dibromobutadiene-with-trapped-propene-ions-2107.13858"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-multi-state-molecular-dynamics-in-single-molecule-fret-experiments-part-i-theory-of-fret-lines-2107.14770</loc><lastmod>2022-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-multi-state-molecular-dynamics-in-single-molecule-fret-experiments-part-i-theory-of-fret-lines-2107.14770"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-multi-state-molecular-dynamics-in-single-molecule-fret-experiments-part-i-theory-of-fret-lines-2107.14770"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-multi-state-molecular-dynamics-in-single-molecule-fret-experiments-part-ii-quantitative-analysis-of-multi-state-kinetic-networks-2107.14791</loc><lastmod>2022-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-multi-state-molecular-dynamics-in-single-molecule-fret-experiments-part-ii-quantitative-analysis-of-multi-state-kinetic-networks-2107.14791"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-multi-state-molecular-dynamics-in-single-molecule-fret-experiments-part-ii-quantitative-analysis-of-multi-state-kinetic-networks-2107.14791"/></url>
<url><loc>https://scifaro.com/en/abs/scrutinizing-gw-based-methods-using-the-hubbard-dimer-2108.00311</loc><lastmod>2021-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scrutinizing-gw-based-methods-using-the-hubbard-dimer-2108.00311"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scrutinizing-gw-based-methods-using-the-hubbard-dimer-2108.00311"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-learning-method-for-predicting-density-matrix-based-electron-dynamics-2108.00318</loc><lastmod>2021-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-learning-method-for-predicting-density-matrix-based-electron-dynamics-2108.00318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-learning-method-for-predicting-density-matrix-based-electron-dynamics-2108.00318"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-full-configuration-interaction-correlation-energy-estimates-for-five-and-six-membered-rings-2108.00321</loc><lastmod>2021-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-full-configuration-interaction-correlation-energy-estimates-for-five-and-six-membered-rings-2108.00321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-full-configuration-interaction-correlation-energy-estimates-for-five-and-six-membered-rings-2108.00321"/></url>
<url><loc>https://scifaro.com/en/abs/comparison-of-diffusive-motion-of-c60-on-graphene-and-boron-nitride-surfaces-2108.00477</loc><lastmod>2021-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparison-of-diffusive-motion-of-c60-on-graphene-and-boron-nitride-surfaces-2108.00477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparison-of-diffusive-motion-of-c60-on-graphene-and-boron-nitride-surfaces-2108.00477"/></url>
<url><loc>https://scifaro.com/en/abs/fermi-l-owdin-orbital-self-interaction-correction-using-the-optimized-effective-potential-method-within-the-krieger-li-iafrate-approximation-2108.00606</loc><lastmod>2021-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fermi-l-owdin-orbital-self-interaction-correction-using-the-optimized-effective-potential-method-within-the-krieger-li-iafrate-approximation-2108.00606"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fermi-l-owdin-orbital-self-interaction-correction-using-the-optimized-effective-potential-method-within-the-krieger-li-iafrate-approximation-2108.00606"/></url>
<url><loc>https://scifaro.com/en/abs/triple-differential-cross-section-for-the-twisted-electron-impact-ionization-of-water-molecule-2108.00692</loc><lastmod>2022-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/triple-differential-cross-section-for-the-twisted-electron-impact-ionization-of-water-molecule-2108.00692"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/triple-differential-cross-section-for-the-twisted-electron-impact-ionization-of-water-molecule-2108.00692"/></url>
<url><loc>https://scifaro.com/en/abs/implementation-of-perdew-zunger-self-interaction-correction-in-real-space-using-fermi-l-owdin-orbitals-2108.01186</loc><lastmod>2021-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/implementation-of-perdew-zunger-self-interaction-correction-in-real-space-using-fermi-l-owdin-orbitals-2108.01186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/implementation-of-perdew-zunger-self-interaction-correction-in-real-space-using-fermi-l-owdin-orbitals-2108.01186"/></url>
<url><loc>https://scifaro.com/en/abs/enhancement-of-parity-violating-energy-difference-of-h-2-x-2-molecules-by-electronic-excitation-2108.01228</loc><lastmod>2022-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancement-of-parity-violating-energy-difference-of-h-2-x-2-molecules-by-electronic-excitation-2108.01228"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancement-of-parity-violating-energy-difference-of-h-2-x-2-molecules-by-electronic-excitation-2108.01228"/></url>
<url><loc>https://scifaro.com/en/abs/simulation-of-open-quantum-dynamics-with-bootstrap-based-long-short-term-memory-recurrent-neural-network-2108.01310</loc><lastmod>2021-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulation-of-open-quantum-dynamics-with-bootstrap-based-long-short-term-memory-recurrent-neural-network-2108.01310"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulation-of-open-quantum-dynamics-with-bootstrap-based-long-short-term-memory-recurrent-neural-network-2108.01310"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-the-hydrogenation-solvent-in-the-phip-sah-hyperpolarization-of-1-13-c-pyruvate-2108.01497</loc><lastmod>2021-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-the-hydrogenation-solvent-in-the-phip-sah-hyperpolarization-of-1-13-c-pyruvate-2108.01497"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-the-hydrogenation-solvent-in-the-phip-sah-hyperpolarization-of-1-13-c-pyruvate-2108.01497"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-low-frequency-modes-on-dynamical-concertedness-in-double-proton-transfer-dynamics-2108.02398</loc><lastmod>2022-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-low-frequency-modes-on-dynamical-concertedness-in-double-proton-transfer-dynamics-2108.02398"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-low-frequency-modes-on-dynamical-concertedness-in-double-proton-transfer-dynamics-2108.02398"/></url>
<url><loc>https://scifaro.com/en/abs/implicit-solvation-methods-for-catalysis-at-electrified-interfaces-2108.02461</loc><lastmod>2021-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/implicit-solvation-methods-for-catalysis-at-electrified-interfaces-2108.02461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/implicit-solvation-methods-for-catalysis-at-electrified-interfaces-2108.02461"/></url>
<url><loc>https://scifaro.com/en/abs/portlandite-solubility-and-ca2-activity-in-presence-of-gluconate-and-hexitols-2108.02477</loc><lastmod>2021-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/portlandite-solubility-and-ca2-activity-in-presence-of-gluconate-and-hexitols-2108.02477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/portlandite-solubility-and-ca2-activity-in-presence-of-gluconate-and-hexitols-2108.02477"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-design-for-a-traveling-wave-zeeman-decelerator-i-theory-2108.02568</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-design-for-a-traveling-wave-zeeman-decelerator-i-theory-2108.02568"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-design-for-a-traveling-wave-zeeman-decelerator-i-theory-2108.02568"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-design-for-a-traveling-wave-zeeman-decelerator-ii-experiment-2108.02593</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-design-for-a-traveling-wave-zeeman-decelerator-ii-experiment-2108.02593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-design-for-a-traveling-wave-zeeman-decelerator-ii-experiment-2108.02593"/></url>
<url><loc>https://scifaro.com/en/abs/newtonnet-a-newtonian-message-passing-network-for-deep-learning-of-interatomic-potentials-and-forces-2108.02913</loc><lastmod>2021-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/newtonnet-a-newtonian-message-passing-network-for-deep-learning-of-interatomic-potentials-and-forces-2108.02913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/newtonnet-a-newtonian-message-passing-network-for-deep-learning-of-interatomic-potentials-and-forces-2108.02913"/></url>
<url><loc>https://scifaro.com/en/abs/spontaneous-chiral-symmetry-breaking-in-a-random-driven-chemical-system-2108.02950</loc><lastmod>2022-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spontaneous-chiral-symmetry-breaking-in-a-random-driven-chemical-system-2108.02950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spontaneous-chiral-symmetry-breaking-in-a-random-driven-chemical-system-2108.02950"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-quantum-vibrational-spectroscopy-of-water-with-high-order-path-integrals-from-bulk-to-interfaces-2108.03056</loc><lastmod>2021-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-quantum-vibrational-spectroscopy-of-water-with-high-order-path-integrals-from-bulk-to-interfaces-2108.03056"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-quantum-vibrational-spectroscopy-of-water-with-high-order-path-integrals-from-bulk-to-interfaces-2108.03056"/></url>
<url><loc>https://scifaro.com/en/abs/an-automatic-approach-to-explore-multi-reaction-mechanism-for-medium-sized-bimolecular-reactions-via-collision-dynamics-simulations-and-transition-state-searches-2108.03104</loc><lastmod>2021-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-automatic-approach-to-explore-multi-reaction-mechanism-for-medium-sized-bimolecular-reactions-via-collision-dynamics-simulations-and-transition-state-searches-2108.03104"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-automatic-approach-to-explore-multi-reaction-mechanism-for-medium-sized-bimolecular-reactions-via-collision-dynamics-simulations-and-transition-state-searches-2108.03104"/></url>
<url><loc>https://scifaro.com/en/abs/incoherent-witnessing-of-quantum-coherence-2108.04070</loc><lastmod>2022-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/incoherent-witnessing-of-quantum-coherence-2108.04070"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/incoherent-witnessing-of-quantum-coherence-2108.04070"/></url>
<url><loc>https://scifaro.com/en/abs/chemo-mechanical-model-of-sei-growth-on-silicon-electrode-particles-2108.04078</loc><lastmod>2022-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemo-mechanical-model-of-sei-growth-on-silicon-electrode-particles-2108.04078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemo-mechanical-model-of-sei-growth-on-silicon-electrode-particles-2108.04078"/></url>
<url><loc>https://scifaro.com/en/abs/roaming-leads-to-amino-acid-photodamage-a-deep-learning-study-of-tyrosine-2108.04373</loc><lastmod>2023-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/roaming-leads-to-amino-acid-photodamage-a-deep-learning-study-of-tyrosine-2108.04373"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/roaming-leads-to-amino-acid-photodamage-a-deep-learning-study-of-tyrosine-2108.04373"/></url>
<url><loc>https://scifaro.com/en/abs/chemirise-a-data-driven-retrosynthesis-engine-2108.04682</loc><lastmod>2021-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemirise-a-data-driven-retrosynthesis-engine-2108.04682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemirise-a-data-driven-retrosynthesis-engine-2108.04682"/></url>
<url><loc>https://scifaro.com/en/abs/charge-state-distribution-of-aerosolized-nanoparticles-2108.04710</loc><lastmod>2021-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-state-distribution-of-aerosolized-nanoparticles-2108.04710"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-state-distribution-of-aerosolized-nanoparticles-2108.04710"/></url>
<url><loc>https://scifaro.com/en/abs/deformed-explicitly-correlated-gaussians-2108.04859</loc><lastmod>2021-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deformed-explicitly-correlated-gaussians-2108.04859"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deformed-explicitly-correlated-gaussians-2108.04859"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-non-adiabatic-dynamics-of-large-photoswitchable-molecules-using-a-chemically-transferable-machine-learning-potential-2108.04879</loc><lastmod>2022-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-non-adiabatic-dynamics-of-large-photoswitchable-molecules-using-a-chemically-transferable-machine-learning-potential-2108.04879"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-non-adiabatic-dynamics-of-large-photoswitchable-molecules-using-a-chemically-transferable-machine-learning-potential-2108.04879"/></url>
<url><loc>https://scifaro.com/en/abs/even-a-little-delocalization-produces-large-kinetic-enhancements-of-charge-separation-efficiency-in-organic-photovoltaics-2108.05032</loc><lastmod>2022-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/even-a-little-delocalization-produces-large-kinetic-enhancements-of-charge-separation-efficiency-in-organic-photovoltaics-2108.05032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/even-a-little-delocalization-produces-large-kinetic-enhancements-of-charge-separation-efficiency-in-organic-photovoltaics-2108.05032"/></url>
<url><loc>https://scifaro.com/en/abs/determining-reaction-pathways-at-low-temperatures-by-isotopic-substitution-the-case-of-bed-h2o-2108.05041</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determining-reaction-pathways-at-low-temperatures-by-isotopic-substitution-the-case-of-bed-h2o-2108.05041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determining-reaction-pathways-at-low-temperatures-by-isotopic-substitution-the-case-of-bed-h2o-2108.05041"/></url>
<url><loc>https://scifaro.com/en/abs/metal-organic-superlattices-induced-by-long-range-repulsive-interactions-on-a-metal-surface-2108.05189</loc><lastmod>2021-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/metal-organic-superlattices-induced-by-long-range-repulsive-interactions-on-a-metal-surface-2108.05189"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/metal-organic-superlattices-induced-by-long-range-repulsive-interactions-on-a-metal-surface-2108.05189"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-three-databases-for-the-nasa-seven-coefficient-polynomial-fits-for-calculating-thermodynamic-properties-of-individual-species-2108.05444</loc><lastmod>2021-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-three-databases-for-the-nasa-seven-coefficient-polynomial-fits-for-calculating-thermodynamic-properties-of-individual-species-2108.05444"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-three-databases-for-the-nasa-seven-coefficient-polynomial-fits-for-calculating-thermodynamic-properties-of-individual-species-2108.05444"/></url>
<url><loc>https://scifaro.com/en/abs/development-and-characterization-of-high-frequency-sources-for-supersonic-beams-of-fluorine-radicals-2108.05952</loc><lastmod>2023-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-and-characterization-of-high-frequency-sources-for-supersonic-beams-of-fluorine-radicals-2108.05952"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-and-characterization-of-high-frequency-sources-for-supersonic-beams-of-fluorine-radicals-2108.05952"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-quantum-calculations-to-understand-the-contribution-of-f-orbitals-and-chemical-bonding-of-actinides-with-organic-ligands-2108.06057</loc><lastmod>2022-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-quantum-calculations-to-understand-the-contribution-of-f-orbitals-and-chemical-bonding-of-actinides-with-organic-ligands-2108.06057"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-quantum-calculations-to-understand-the-contribution-of-f-orbitals-and-chemical-bonding-of-actinides-with-organic-ligands-2108.06057"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-force-field-and-energy-emulation-through-partition-of-permutationally-equivalent-atoms-2108.06072</loc><lastmod>2022-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-force-field-and-energy-emulation-through-partition-of-permutationally-equivalent-atoms-2108.06072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-force-field-and-energy-emulation-through-partition-of-permutationally-equivalent-atoms-2108.06072"/></url>
<url><loc>https://scifaro.com/en/abs/hyperpolarized-solution-state-nmr-spectroscopy-with-optically-polarized-crystals-2108.06147</loc><lastmod>2024-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hyperpolarized-solution-state-nmr-spectroscopy-with-optically-polarized-crystals-2108.06147"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hyperpolarized-solution-state-nmr-spectroscopy-with-optically-polarized-crystals-2108.06147"/></url>
<url><loc>https://scifaro.com/en/abs/piecewise-interaction-picture-density-matrix-quantum-monte-carlo-2108.06252</loc><lastmod>2022-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/piecewise-interaction-picture-density-matrix-quantum-monte-carlo-2108.06252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/piecewise-interaction-picture-density-matrix-quantum-monte-carlo-2108.06252"/></url>
<url><loc>https://scifaro.com/en/abs/selected-columns-of-the-density-matrix-in-an-atomic-orbital-basis-i-an-intrinsic-and-non-iterative-orbital-localization-scheme-for-the-occupied-space-2108.06399</loc><lastmod>2021-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selected-columns-of-the-density-matrix-in-an-atomic-orbital-basis-i-an-intrinsic-and-non-iterative-orbital-localization-scheme-for-the-occupied-space-2108.06399"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selected-columns-of-the-density-matrix-in-an-atomic-orbital-basis-i-an-intrinsic-and-non-iterative-orbital-localization-scheme-for-the-occupied-space-2108.06399"/></url>
<url><loc>https://scifaro.com/en/abs/forces-from-stochastic-density-functional-theory-under-nonorthogonal-atom-centered-basis-sets-2108.06770</loc><lastmod>2022-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/forces-from-stochastic-density-functional-theory-under-nonorthogonal-atom-centered-basis-sets-2108.06770"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/forces-from-stochastic-density-functional-theory-under-nonorthogonal-atom-centered-basis-sets-2108.06770"/></url>
<url><loc>https://scifaro.com/en/abs/j-driven-dynamic-nuclear-polarization-for-sensitizing-high-field-solution-state-nmr-2108.07059</loc><lastmod>2022-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/j-driven-dynamic-nuclear-polarization-for-sensitizing-high-field-solution-state-nmr-2108.07059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/j-driven-dynamic-nuclear-polarization-for-sensitizing-high-field-solution-state-nmr-2108.07059"/></url>
<url><loc>https://scifaro.com/en/abs/polymer-thin-films-as-universal-substrates-for-extreme-ultraviolet-absorption-spectroscopy-of-molecular-transition-metal-complexes-2108.07191</loc><lastmod>2021-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polymer-thin-films-as-universal-substrates-for-extreme-ultraviolet-absorption-spectroscopy-of-molecular-transition-metal-complexes-2108.07191"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polymer-thin-films-as-universal-substrates-for-extreme-ultraviolet-absorption-spectroscopy-of-molecular-transition-metal-complexes-2108.07191"/></url>
<url><loc>https://scifaro.com/en/abs/flexibility-and-regularity-of-the-hydration-structure-of-a-sodium-ion-nonempirical-insight-2108.07234</loc><lastmod>2024-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/flexibility-and-regularity-of-the-hydration-structure-of-a-sodium-ion-nonempirical-insight-2108.07234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/flexibility-and-regularity-of-the-hydration-structure-of-a-sodium-ion-nonempirical-insight-2108.07234"/></url>
<url><loc>https://scifaro.com/en/abs/improving-data-quality-for-3d-electron-diffraction-3d-ed-by-gatan-image-filter-and-a-new-crystal-tracking-method-2108.07468</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-data-quality-for-3d-electron-diffraction-3d-ed-by-gatan-image-filter-and-a-new-crystal-tracking-method-2108.07468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-data-quality-for-3d-electron-diffraction-3d-ed-by-gatan-image-filter-and-a-new-crystal-tracking-method-2108.07468"/></url>
<url><loc>https://scifaro.com/en/abs/nonlocal-and-nonadiabatic-pauli-potential-for-time-dependent-orbital-free-density-functional-theory-2108.07870</loc><lastmod>2021-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlocal-and-nonadiabatic-pauli-potential-for-time-dependent-orbital-free-density-functional-theory-2108.07870"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlocal-and-nonadiabatic-pauli-potential-for-time-dependent-orbital-free-density-functional-theory-2108.07870"/></url>
<url><loc>https://scifaro.com/en/abs/microfluidic-isotachophoresis-theory-and-applications-2108.09595</loc><lastmod>2022-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microfluidic-isotachophoresis-theory-and-applications-2108.09595"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microfluidic-isotachophoresis-theory-and-applications-2108.09595"/></url>
<url><loc>https://scifaro.com/en/abs/self-discharge-mitigation-in-a-liquid-metal-displacement-battery-2108.10642</loc><lastmod>2021-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-discharge-mitigation-in-a-liquid-metal-displacement-battery-2108.10642"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-discharge-mitigation-in-a-liquid-metal-displacement-battery-2108.10642"/></url>
<url><loc>https://scifaro.com/en/abs/wavefunction-based-electrostatic-embedding-qm-mm-using-cfour-through-mimic-2108.10707</loc><lastmod>2024-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wavefunction-based-electrostatic-embedding-qm-mm-using-cfour-through-mimic-2108.10707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wavefunction-based-electrostatic-embedding-qm-mm-using-cfour-through-mimic-2108.10707"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-properties-of-water-inside-graphene-oxide-membranes-2108.10836</loc><lastmod>2021-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-properties-of-water-inside-graphene-oxide-membranes-2108.10836"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-properties-of-water-inside-graphene-oxide-membranes-2108.10836"/></url>
<url><loc>https://scifaro.com/en/abs/variational-quantum-eigensolver-techniques-for-simulating-carbon-monoxide-oxidation-2108.11167</loc><lastmod>2022-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-quantum-eigensolver-techniques-for-simulating-carbon-monoxide-oxidation-2108.11167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-quantum-eigensolver-techniques-for-simulating-carbon-monoxide-oxidation-2108.11167"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-role-of-non-diagonal-system-environment-interactions-in-bridge-mediated-electron-transfer-2108.11175</loc><lastmod>2021-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-role-of-non-diagonal-system-environment-interactions-in-bridge-mediated-electron-transfer-2108.11175"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-role-of-non-diagonal-system-environment-interactions-in-bridge-mediated-electron-transfer-2108.11175"/></url>
<url><loc>https://scifaro.com/en/abs/magnesium-contact-ions-stabilize-the-tertiary-structure-of-transfer-rna-electrostatics-mapped-by-two-dimensional-infrared-spectra-and-theoretical-simulations-2108.11178</loc><lastmod>2021-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnesium-contact-ions-stabilize-the-tertiary-structure-of-transfer-rna-electrostatics-mapped-by-two-dimensional-infrared-spectra-and-theoretical-simulations-2108.11178"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnesium-contact-ions-stabilize-the-tertiary-structure-of-transfer-rna-electrostatics-mapped-by-two-dimensional-infrared-spectra-and-theoretical-simulations-2108.11178"/></url>
<url><loc>https://scifaro.com/en/abs/solvation-free-energies-in-subsystem-density-functional-theory-2108.11228</loc><lastmod>2022-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvation-free-energies-in-subsystem-density-functional-theory-2108.11228"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvation-free-energies-in-subsystem-density-functional-theory-2108.11228"/></url>
<url><loc>https://scifaro.com/en/abs/core-shell-bimetallic-nanoparticle-trimers-for-efficient-light-to-chemical-energy-conversion-2108.11238</loc><lastmod>2021-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/core-shell-bimetallic-nanoparticle-trimers-for-efficient-light-to-chemical-energy-conversion-2108.11238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/core-shell-bimetallic-nanoparticle-trimers-for-efficient-light-to-chemical-energy-conversion-2108.11238"/></url>
<url><loc>https://scifaro.com/en/abs/a-stable-high-capacity-lithium-ion-battery-using-a-biomass-derived-sulfur-carbon-cathode-and-lithiated-silicon-anode-2108.11284</loc><lastmod>2021-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-stable-high-capacity-lithium-ion-battery-using-a-biomass-derived-sulfur-carbon-cathode-and-lithiated-silicon-anode-2108.11284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-stable-high-capacity-lithium-ion-battery-using-a-biomass-derived-sulfur-carbon-cathode-and-lithiated-silicon-anode-2108.11284"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-of-a-high-capacity-alpha-fe2o3-c-conversion-anode-and-a-high-voltage-lini0-5mn1-5o4-spinel-cathode-and-their-combination-in-a-li-ion-battery-2108.11314</loc><lastmod>2021-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-of-a-high-capacity-alpha-fe2o3-c-conversion-anode-and-a-high-voltage-lini0-5mn1-5o4-spinel-cathode-and-their-combination-in-a-li-ion-battery-2108.11314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-of-a-high-capacity-alpha-fe2o3-c-conversion-anode-and-a-high-voltage-lini0-5mn1-5o4-spinel-cathode-and-their-combination-in-a-li-ion-battery-2108.11314"/></url>
<url><loc>https://scifaro.com/en/abs/cholesky-decomposition-of-complex-two-electron-integrals-over-giaos-efficient-mp2-computations-for-large-molecules-in-strong-magnetic-fields-2108.11370</loc><lastmod>2022-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cholesky-decomposition-of-complex-two-electron-integrals-over-giaos-efficient-mp2-computations-for-large-molecules-in-strong-magnetic-fields-2108.11370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cholesky-decomposition-of-complex-two-electron-integrals-over-giaos-efficient-mp2-computations-for-large-molecules-in-strong-magnetic-fields-2108.11370"/></url>
<url><loc>https://scifaro.com/en/abs/infrared-and-nmr-spectroscopic-fingerprints-of-the-asymmetric-h7-o3-complex-in-solution-2108.11377</loc><lastmod>2021-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infrared-and-nmr-spectroscopic-fingerprints-of-the-asymmetric-h7-o3-complex-in-solution-2108.11377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infrared-and-nmr-spectroscopic-fingerprints-of-the-asymmetric-h7-o3-complex-in-solution-2108.11377"/></url>
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<url><loc>https://scifaro.com/en/abs/phosphate-vibrations-probe-electric-fields-in-hydrated-biomolecules-spectroscopy-dynamics-and-interactions-2108.11379</loc><lastmod>2021-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phosphate-vibrations-probe-electric-fields-in-hydrated-biomolecules-spectroscopy-dynamics-and-interactions-2108.11379"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phosphate-vibrations-probe-electric-fields-in-hydrated-biomolecules-spectroscopy-dynamics-and-interactions-2108.11379"/></url>
<url><loc>https://scifaro.com/en/abs/degradation-of-layered-oxide-cathode-in-a-sodium-battery-a-detailed-investigation-by-x-ray-tomography-at-the-nanoscale-2108.11442</loc><lastmod>2021-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/degradation-of-layered-oxide-cathode-in-a-sodium-battery-a-detailed-investigation-by-x-ray-tomography-at-the-nanoscale-2108.11442"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/degradation-of-layered-oxide-cathode-in-a-sodium-battery-a-detailed-investigation-by-x-ray-tomography-at-the-nanoscale-2108.11442"/></url>
<url><loc>https://scifaro.com/en/abs/quantendynamik-offener-systeme-trendbericht-theoretische-chemie-2020-teil-3-2108.11479</loc><lastmod>2021-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantendynamik-offener-systeme-trendbericht-theoretische-chemie-2020-teil-3-2108.11479"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantendynamik-offener-systeme-trendbericht-theoretische-chemie-2020-teil-3-2108.11479"/></url>
<url><loc>https://scifaro.com/en/abs/charging-dynamics-of-electrical-double-layers-inside-a-cylindrical-pore-predicting-the-effects-of-arbitrary-pore-size-2108.11562</loc><lastmod>2021-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charging-dynamics-of-electrical-double-layers-inside-a-cylindrical-pore-predicting-the-effects-of-arbitrary-pore-size-2108.11562"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charging-dynamics-of-electrical-double-layers-inside-a-cylindrical-pore-predicting-the-effects-of-arbitrary-pore-size-2108.11562"/></url>
<url><loc>https://scifaro.com/en/abs/fermionic-neural-network-with-effective-core-potential-2108.11661</loc><lastmod>2021-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fermionic-neural-network-with-effective-core-potential-2108.11661"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fermionic-neural-network-with-effective-core-potential-2108.11661"/></url>
<url><loc>https://scifaro.com/en/abs/piece-wise-multipole-expansion-implicit-solvation-for-arbitrarily-shaped-molecular-solutes-2108.11749</loc><lastmod>2021-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/piece-wise-multipole-expansion-implicit-solvation-for-arbitrarily-shaped-molecular-solutes-2108.11749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/piece-wise-multipole-expansion-implicit-solvation-for-arbitrarily-shaped-molecular-solutes-2108.11749"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-spectra-calculations-using-an-optimized-quasi-regular-gaussian-basis-and-the-collocation-method-2108.12069</loc><lastmod>2021-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-spectra-calculations-using-an-optimized-quasi-regular-gaussian-basis-and-the-collocation-method-2108.12069"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-spectra-calculations-using-an-optimized-quasi-regular-gaussian-basis-and-the-collocation-method-2108.12069"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-determination-of-the-interaction-potential-between-a-helium-atom-and-the-interior-surface-of-a-c60-fullerene-molecule-2108.12221</loc><lastmod>2021-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-determination-of-the-interaction-potential-between-a-helium-atom-and-the-interior-surface-of-a-c60-fullerene-molecule-2108.12221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-determination-of-the-interaction-potential-between-a-helium-atom-and-the-interior-surface-of-a-c60-fullerene-molecule-2108.12221"/></url>
<url><loc>https://scifaro.com/en/abs/a-perspective-on-ab-initio-modeling-of-polaritonic-chemistry-the-role-of-non-equilibrium-effects-and-quantum-collectivity-2108.12244</loc><lastmod>2022-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-perspective-on-ab-initio-modeling-of-polaritonic-chemistry-the-role-of-non-equilibrium-effects-and-quantum-collectivity-2108.12244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-perspective-on-ab-initio-modeling-of-polaritonic-chemistry-the-role-of-non-equilibrium-effects-and-quantum-collectivity-2108.12244"/></url>
<url><loc>https://scifaro.com/en/abs/manipulating-the-dynamics-of-a-fermi-resonance-with-light-a-direct-optimal-control-theory-approach-2108.12302</loc><lastmod>2022-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/manipulating-the-dynamics-of-a-fermi-resonance-with-light-a-direct-optimal-control-theory-approach-2108.12302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/manipulating-the-dynamics-of-a-fermi-resonance-with-light-a-direct-optimal-control-theory-approach-2108.12302"/></url>
<url><loc>https://scifaro.com/en/abs/density-matrix-renormalization-group-with-dynamical-correlation-via-adiabatic-connection-2108.12803</loc><lastmod>2021-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-matrix-renormalization-group-with-dynamical-correlation-via-adiabatic-connection-2108.12803"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-matrix-renormalization-group-with-dynamical-correlation-via-adiabatic-connection-2108.12803"/></url>
<url><loc>https://scifaro.com/en/abs/surprisingly-good-performance-of-xyg3-family-functionals-using-scaled-ks-mp3-correlation-2108.12885</loc><lastmod>2021-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surprisingly-good-performance-of-xyg3-family-functionals-using-scaled-ks-mp3-correlation-2108.12885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surprisingly-good-performance-of-xyg3-family-functionals-using-scaled-ks-mp3-correlation-2108.12885"/></url>
<url><loc>https://scifaro.com/en/abs/probing-light-induced-conical-intersections-by-monitoring-multidimensional-polaritonic-surfaces-2108.12886</loc><lastmod>2022-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-light-induced-conical-intersections-by-monitoring-multidimensional-polaritonic-surfaces-2108.12886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-light-induced-conical-intersections-by-monitoring-multidimensional-polaritonic-surfaces-2108.12886"/></url>
<url><loc>https://scifaro.com/en/abs/approaching-the-basis-set-limit-in-gaussian-orbital-based-periodic-calculations-with-transferability-performance-of-pure-density-functionals-for-simple-semiconductors-2108.12972</loc><lastmod>2021-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approaching-the-basis-set-limit-in-gaussian-orbital-based-periodic-calculations-with-transferability-performance-of-pure-density-functionals-for-simple-semiconductors-2108.12972"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approaching-the-basis-set-limit-in-gaussian-orbital-based-periodic-calculations-with-transferability-performance-of-pure-density-functionals-for-simple-semiconductors-2108.12972"/></url>
<url><loc>https://scifaro.com/en/abs/infrared-spectroscopy-of-radioactive-hydrogen-chloride-h-36-cl-2108.13031</loc><lastmod>2021-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/infrared-spectroscopy-of-radioactive-hydrogen-chloride-h-36-cl-2108.13031"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/infrared-spectroscopy-of-radioactive-hydrogen-chloride-h-36-cl-2108.13031"/></url>
<url><loc>https://scifaro.com/en/abs/a-durable-and-efficient-electrocatalyst-for-saline-water-splitting-with-current-density-exceeding-2000-ma-cm-2-2108.13269</loc><lastmod>2021-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-durable-and-efficient-electrocatalyst-for-saline-water-splitting-with-current-density-exceeding-2000-ma-cm-2-2108.13269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-durable-and-efficient-electrocatalyst-for-saline-water-splitting-with-current-density-exceeding-2000-ma-cm-2-2108.13269"/></url>
<url><loc>https://scifaro.com/en/abs/stabilized-hydroxide-mediated-nickel-based-electrocatalysts-for-high-current-density-hydrogen-evolution-in-alkaline-media-2108.13273</loc><lastmod>2021-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stabilized-hydroxide-mediated-nickel-based-electrocatalysts-for-high-current-density-hydrogen-evolution-in-alkaline-media-2108.13273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stabilized-hydroxide-mediated-nickel-based-electrocatalysts-for-high-current-density-hydrogen-evolution-in-alkaline-media-2108.13273"/></url>
<url><loc>https://scifaro.com/en/abs/paired-ru-o-mo-ensemble-for-efficient-and-stable-alkaline-hydrogen-evolution-reaction-2108.13292</loc><lastmod>2021-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/paired-ru-o-mo-ensemble-for-efficient-and-stable-alkaline-hydrogen-evolution-reaction-2108.13292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/paired-ru-o-mo-ensemble-for-efficient-and-stable-alkaline-hydrogen-evolution-reaction-2108.13292"/></url>
<url><loc>https://scifaro.com/en/abs/clock-transitions-guard-against-spin-decoherence-in-singlet-fission-2108.13337</loc><lastmod>2021-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/clock-transitions-guard-against-spin-decoherence-in-singlet-fission-2108.13337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/clock-transitions-guard-against-spin-decoherence-in-singlet-fission-2108.13337"/></url>
<url><loc>https://scifaro.com/en/abs/linear-scalability-of-density-functional-theory-calculations-without-imposing-electron-localization-2108.13478</loc><lastmod>2022-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-scalability-of-density-functional-theory-calculations-without-imposing-electron-localization-2108.13478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-scalability-of-density-functional-theory-calculations-without-imposing-electron-localization-2108.13478"/></url>
<url><loc>https://scifaro.com/en/abs/osmotic-transport-at-the-aqueous-graphene-and-hbn-interfaces-scaling-laws-from-a-unified-first-principles-description-2109.00043</loc><lastmod>2022-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/osmotic-transport-at-the-aqueous-graphene-and-hbn-interfaces-scaling-laws-from-a-unified-first-principles-description-2109.00043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/osmotic-transport-at-the-aqueous-graphene-and-hbn-interfaces-scaling-laws-from-a-unified-first-principles-description-2109.00043"/></url>
<url><loc>https://scifaro.com/en/abs/ozone-formation-in-ternary-collisions-theory-and-experiment-reconciled-2109.00315</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ozone-formation-in-ternary-collisions-theory-and-experiment-reconciled-2109.00315"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ozone-formation-in-ternary-collisions-theory-and-experiment-reconciled-2109.00315"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-properties-from-the-explicitly-connected-expressions-of-the-response-functions-within-the-coupled-cluster-theory-2109.00383</loc><lastmod>2021-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-properties-from-the-explicitly-connected-expressions-of-the-response-functions-within-the-coupled-cluster-theory-2109.00383"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-properties-from-the-explicitly-connected-expressions-of-the-response-functions-within-the-coupled-cluster-theory-2109.00383"/></url>
<url><loc>https://scifaro.com/en/abs/multi-charge-transfer-from-photodoped-ito-nanocrystals-2109.00499</loc><lastmod>2021-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-charge-transfer-from-photodoped-ito-nanocrystals-2109.00499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-charge-transfer-from-photodoped-ito-nanocrystals-2109.00499"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-rna-melting-on-hydrating-water-structure-mapped-by-femtosecond-2d-ir-spectroscopy-2109.00500</loc><lastmod>2021-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-rna-melting-on-hydrating-water-structure-mapped-by-femtosecond-2d-ir-spectroscopy-2109.00500"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-rna-melting-on-hydrating-water-structure-mapped-by-femtosecond-2d-ir-spectroscopy-2109.00500"/></url>
<url><loc>https://scifaro.com/en/abs/fermi-level-equilibration-at-the-metal-molecule-interface-in-plasmonic-systems-2109.00501</loc><lastmod>2021-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fermi-level-equilibration-at-the-metal-molecule-interface-in-plasmonic-systems-2109.00501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fermi-level-equilibration-at-the-metal-molecule-interface-in-plasmonic-systems-2109.00501"/></url>
<url><loc>https://scifaro.com/en/abs/localized-resolution-of-identity-approach-to-the-analytical-gradients-of-random-phase-approximation-ground-state-energy-algorithm-and-benchmarks-2109.00742</loc><lastmod>2021-09-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/localized-resolution-of-identity-approach-to-the-analytical-gradients-of-random-phase-approximation-ground-state-energy-algorithm-and-benchmarks-2109.00742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/localized-resolution-of-identity-approach-to-the-analytical-gradients-of-random-phase-approximation-ground-state-energy-algorithm-and-benchmarks-2109.00742"/></url>
<url><loc>https://scifaro.com/en/abs/heteronuclear-transfers-from-labile-protons-in-biomolecular-nmr-cross-polarization-revisited-2109.01079</loc><lastmod>2021-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heteronuclear-transfers-from-labile-protons-in-biomolecular-nmr-cross-polarization-revisited-2109.01079"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heteronuclear-transfers-from-labile-protons-in-biomolecular-nmr-cross-polarization-revisited-2109.01079"/></url>
<url><loc>https://scifaro.com/en/abs/ionic-transport-in-electrostatic-janus-membranes-an-explicit-solvent-molecular-dynamic-simulation-2109.01278</loc><lastmod>2022-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionic-transport-in-electrostatic-janus-membranes-an-explicit-solvent-molecular-dynamic-simulation-2109.01278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionic-transport-in-electrostatic-janus-membranes-an-explicit-solvent-molecular-dynamic-simulation-2109.01278"/></url>
<url><loc>https://scifaro.com/en/abs/structural-discrimination-of-phosphate-contact-ion-pairs-in-water-by-femtosecond-2d-ir-spectroscopy-2109.01612</loc><lastmod>2021-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-discrimination-of-phosphate-contact-ion-pairs-in-water-by-femtosecond-2d-ir-spectroscopy-2109.01612"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-discrimination-of-phosphate-contact-ion-pairs-in-water-by-femtosecond-2d-ir-spectroscopy-2109.01612"/></url>
<url><loc>https://scifaro.com/en/abs/multi-state-formulation-of-the-frozen-density-embedding-quasi-diabatization-approach-2109.01877</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-state-formulation-of-the-frozen-density-embedding-quasi-diabatization-approach-2109.01877"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-state-formulation-of-the-frozen-density-embedding-quasi-diabatization-approach-2109.01877"/></url>
<url><loc>https://scifaro.com/en/abs/methods-for-accurate-calculations-of-multi-center-integrals-of-squared-coulomb-potentials-for-lower-bounds-to-energy-levels-of-molecular-systems-2109.02086</loc><lastmod>2022-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/methods-for-accurate-calculations-of-multi-center-integrals-of-squared-coulomb-potentials-for-lower-bounds-to-energy-levels-of-molecular-systems-2109.02086"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/methods-for-accurate-calculations-of-multi-center-integrals-of-squared-coulomb-potentials-for-lower-bounds-to-energy-levels-of-molecular-systems-2109.02086"/></url>
<url><loc>https://scifaro.com/en/abs/cider-an-expressive-nonlocal-feature-set-for-machine-learning-density-functionals-with-exact-constraints-2109.02788</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cider-an-expressive-nonlocal-feature-set-for-machine-learning-density-functionals-with-exact-constraints-2109.02788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cider-an-expressive-nonlocal-feature-set-for-machine-learning-density-functionals-with-exact-constraints-2109.02788"/></url>
<url><loc>https://scifaro.com/en/abs/time-evolution-of-ml-mctdh-wavefunctions-i-gauge-conditions-basis-functions-and-singularities-2109.03133</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-evolution-of-ml-mctdh-wavefunctions-i-gauge-conditions-basis-functions-and-singularities-2109.03133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-evolution-of-ml-mctdh-wavefunctions-i-gauge-conditions-basis-functions-and-singularities-2109.03133"/></url>
<url><loc>https://scifaro.com/en/abs/time-evolution-of-ml-mctdh-wavefunctions-ii-application-of-the-projector-splitting-integrator-2109.03134</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-evolution-of-ml-mctdh-wavefunctions-ii-application-of-the-projector-splitting-integrator-2109.03134"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-evolution-of-ml-mctdh-wavefunctions-ii-application-of-the-projector-splitting-integrator-2109.03134"/></url>
<url><loc>https://scifaro.com/en/abs/integral-equation-models-for-solvent-in-macromolecular-crystals-2109.03358</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/integral-equation-models-for-solvent-in-macromolecular-crystals-2109.03358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/integral-equation-models-for-solvent-in-macromolecular-crystals-2109.03358"/></url>
<url><loc>https://scifaro.com/en/abs/molecule-specific-uncertainty-quantification-in-quantum-chemical-studies-2109.03732</loc><lastmod>2022-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecule-specific-uncertainty-quantification-in-quantum-chemical-studies-2109.03732"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecule-specific-uncertainty-quantification-in-quantum-chemical-studies-2109.03732"/></url>
<url><loc>https://scifaro.com/en/abs/training-algorithm-matters-for-the-performance-of-neural-network-potential-a-case-study-of-adam-and-the-kalman-filter-optimizers-2109.03769</loc><lastmod>2021-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/training-algorithm-matters-for-the-performance-of-neural-network-potential-a-case-study-of-adam-and-the-kalman-filter-optimizers-2109.03769"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/training-algorithm-matters-for-the-performance-of-neural-network-potential-a-case-study-of-adam-and-the-kalman-filter-optimizers-2109.03769"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-the-continuous-transition-from-atomic-to-molecular-shape-in-the-three-body-coulomb-system-2109.04542</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-the-continuous-transition-from-atomic-to-molecular-shape-in-the-three-body-coulomb-system-2109.04542"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-the-continuous-transition-from-atomic-to-molecular-shape-in-the-three-body-coulomb-system-2109.04542"/></url>
<url><loc>https://scifaro.com/en/abs/selectively-pulsed-spin-order-transfer-increases-parahydrogen-induced-nmr-amplification-of-insensitive-nuclei-and-makes-polarization-transfer-more-robust-2109.04799</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selectively-pulsed-spin-order-transfer-increases-parahydrogen-induced-nmr-amplification-of-insensitive-nuclei-and-makes-polarization-transfer-more-robust-2109.04799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selectively-pulsed-spin-order-transfer-increases-parahydrogen-induced-nmr-amplification-of-insensitive-nuclei-and-makes-polarization-transfer-more-robust-2109.04799"/></url>
<url><loc>https://scifaro.com/en/abs/ensemble-density-functional-theory-of-neutral-and-charged-excitations-2109.04943</loc><lastmod>2021-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ensemble-density-functional-theory-of-neutral-and-charged-excitations-2109.04943"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ensemble-density-functional-theory-of-neutral-and-charged-excitations-2109.04943"/></url>
<url><loc>https://scifaro.com/en/abs/perturbative-corrections-for-hartree-fock-like-algebraic-bethe-ansatz-analogue-2109.05144</loc><lastmod>2021-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perturbative-corrections-for-hartree-fock-like-algebraic-bethe-ansatz-analogue-2109.05144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perturbative-corrections-for-hartree-fock-like-algebraic-bethe-ansatz-analogue-2109.05144"/></url>
<url><loc>https://scifaro.com/en/abs/wavepacket-control-and-simulation-protocol-for-entangled-two-photon-absorption-of-molecules-2109.05146</loc><lastmod>2021-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wavepacket-control-and-simulation-protocol-for-entangled-two-photon-absorption-of-molecules-2109.05146"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wavepacket-control-and-simulation-protocol-for-entangled-two-photon-absorption-of-molecules-2109.05146"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-proton-effects-from-density-matrix-renormalization-group-calculations-2109.05377</loc><lastmod>2022-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-proton-effects-from-density-matrix-renormalization-group-calculations-2109.05377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-proton-effects-from-density-matrix-renormalization-group-calculations-2109.05377"/></url>
<url><loc>https://scifaro.com/en/abs/concurrent-j-evolving-refocusing-pulses-2109.05453</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/concurrent-j-evolving-refocusing-pulses-2109.05453"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/concurrent-j-evolving-refocusing-pulses-2109.05453"/></url>
<url><loc>https://scifaro.com/en/abs/multicomponent-mp4-and-the-inclusion-of-triple-excitations-in-multicomponent-many-body-methods-2109.05590</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multicomponent-mp4-and-the-inclusion-of-triple-excitations-in-multicomponent-many-body-methods-2109.05590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multicomponent-mp4-and-the-inclusion-of-triple-excitations-in-multicomponent-many-body-methods-2109.05590"/></url>
<url><loc>https://scifaro.com/en/abs/on-surface-decarboxylation-coupling-facilitated-by-lock-to-unlock-variation-of-molecules-upon-the-reaction-2109.06499</loc><lastmod>2021-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-surface-decarboxylation-coupling-facilitated-by-lock-to-unlock-variation-of-molecules-upon-the-reaction-2109.06499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-surface-decarboxylation-coupling-facilitated-by-lock-to-unlock-variation-of-molecules-upon-the-reaction-2109.06499"/></url>
<url><loc>https://scifaro.com/en/abs/a-bosonic-perspective-on-the-classical-mapping-of-fermionic-quantum-dynamics-2109.06563</loc><lastmod>2021-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-bosonic-perspective-on-the-classical-mapping-of-fermionic-quantum-dynamics-2109.06563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-bosonic-perspective-on-the-classical-mapping-of-fermionic-quantum-dynamics-2109.06563"/></url>
<url><loc>https://scifaro.com/en/abs/cavity-modified-unimolecular-dissociation-reactions-via-intramolecular-vibrational-energy-redistribution-2109.06631</loc><lastmod>2021-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cavity-modified-unimolecular-dissociation-reactions-via-intramolecular-vibrational-energy-redistribution-2109.06631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cavity-modified-unimolecular-dissociation-reactions-via-intramolecular-vibrational-energy-redistribution-2109.06631"/></url>
<url><loc>https://scifaro.com/en/abs/circumneutral-concentrated-ammonium-acetate-solution-as-water-in-salt-electrolyte-2109.07175</loc><lastmod>2021-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/circumneutral-concentrated-ammonium-acetate-solution-as-water-in-salt-electrolyte-2109.07175"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/circumneutral-concentrated-ammonium-acetate-solution-as-water-in-salt-electrolyte-2109.07175"/></url>
<url><loc>https://scifaro.com/en/abs/explaining-classifiers-to-understand-coarse-grained-models-2109.07337</loc><lastmod>2021-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explaining-classifiers-to-understand-coarse-grained-models-2109.07337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explaining-classifiers-to-understand-coarse-grained-models-2109.07337"/></url>
<url><loc>https://scifaro.com/en/abs/nmr-of-31-p-nuclear-spin-singlet-states-in-organic-diphosphates-2109.08067</loc><lastmod>2021-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nmr-of-31-p-nuclear-spin-singlet-states-in-organic-diphosphates-2109.08067"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nmr-of-31-p-nuclear-spin-singlet-states-in-organic-diphosphates-2109.08067"/></url>
<url><loc>https://scifaro.com/en/abs/transfer-learned-potential-energy-surfaces-accurate-anharmonic-vibrational-dynamics-and-dissociation-energies-for-the-formic-acid-monomer-and-dimer-2109.08407</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transfer-learned-potential-energy-surfaces-accurate-anharmonic-vibrational-dynamics-and-dissociation-energies-for-the-formic-acid-monomer-and-dimer-2109.08407"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transfer-learned-potential-energy-surfaces-accurate-anharmonic-vibrational-dynamics-and-dissociation-energies-for-the-formic-acid-monomer-and-dimer-2109.08407"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-chemical-perspective-on-the-laser-induced-alignment-and-orientation-dynamics-of-the-ch-3-x-x-f-cl-br-i-molecules-2109.08413</loc><lastmod>2021-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-chemical-perspective-on-the-laser-induced-alignment-and-orientation-dynamics-of-the-ch-3-x-x-f-cl-br-i-molecules-2109.08413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-chemical-perspective-on-the-laser-induced-alignment-and-orientation-dynamics-of-the-ch-3-x-x-f-cl-br-i-molecules-2109.08413"/></url>
<url><loc>https://scifaro.com/en/abs/proton-transfer-spectroscopy-beyond-the-normal-mode-scenario-2109.08514</loc><lastmod>2022-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proton-transfer-spectroscopy-beyond-the-normal-mode-scenario-2109.08514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proton-transfer-spectroscopy-beyond-the-normal-mode-scenario-2109.08514"/></url>
<url><loc>https://scifaro.com/en/abs/near-exact-ccsdt-energetics-from-rank-reduced-formalism-supplemented-by-non-iterative-corrections-2109.08575</loc><lastmod>2022-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-exact-ccsdt-energetics-from-rank-reduced-formalism-supplemented-by-non-iterative-corrections-2109.08575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-exact-ccsdt-energetics-from-rank-reduced-formalism-supplemented-by-non-iterative-corrections-2109.08575"/></url>
<url><loc>https://scifaro.com/en/abs/quintic-scaling-rank-reduced-coupled-cluster-theory-with-single-and-double-excitations-2109.08583</loc><lastmod>2022-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quintic-scaling-rank-reduced-coupled-cluster-theory-with-single-and-double-excitations-2109.08583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quintic-scaling-rank-reduced-coupled-cluster-theory-with-single-and-double-excitations-2109.08583"/></url>
<url><loc>https://scifaro.com/en/abs/tensor-network-states-for-vibrational-spectroscopy-2109.08961</loc><lastmod>2022-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tensor-network-states-for-vibrational-spectroscopy-2109.08961"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tensor-network-states-for-vibrational-spectroscopy-2109.08961"/></url>
<url><loc>https://scifaro.com/en/abs/segmentation-driven-peeling-for-visual-analysis-of-electronic-transitions-2109.08987</loc><lastmod>2024-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/segmentation-driven-peeling-for-visual-analysis-of-electronic-transitions-2109.08987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/segmentation-driven-peeling-for-visual-analysis-of-electronic-transitions-2109.08987"/></url>
<url><loc>https://scifaro.com/en/abs/energy-absorbency-and-phase-stability-during-nacl-solution-icing-2109.09442</loc><lastmod>2021-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-absorbency-and-phase-stability-during-nacl-solution-icing-2109.09442"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-absorbency-and-phase-stability-during-nacl-solution-icing-2109.09442"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-energy-learning-using-alternative-blackbox-matrix-matrix-multiplication-algorithm-for-exact-gaussian-process-2109.09817</loc><lastmod>2023-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-energy-learning-using-alternative-blackbox-matrix-matrix-multiplication-algorithm-for-exact-gaussian-process-2109.09817"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-energy-learning-using-alternative-blackbox-matrix-matrix-multiplication-algorithm-for-exact-gaussian-process-2109.09817"/></url>
<url><loc>https://scifaro.com/en/abs/electrification-of-water-interface-2109.09995</loc><lastmod>2021-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrification-of-water-interface-2109.09995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrification-of-water-interface-2109.09995"/></url>
<url><loc>https://scifaro.com/en/abs/the-rovibrational-aharonov-bohm-effect-2109.10185</loc><lastmod>2021-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-rovibrational-aharonov-bohm-effect-2109.10185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-rovibrational-aharonov-bohm-effect-2109.10185"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-energies-of-transition-metal-atoms-ions-and-monoxides-using-selected-configuration-interaction-and-density-based-basis-set-corrections-2109.10271</loc><lastmod>2021-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-energies-of-transition-metal-atoms-ions-and-monoxides-using-selected-configuration-interaction-and-density-based-basis-set-corrections-2109.10271"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-energies-of-transition-metal-atoms-ions-and-monoxides-using-selected-configuration-interaction-and-density-based-basis-set-corrections-2109.10271"/></url>
<url><loc>https://scifaro.com/en/abs/improving-the-silicon-interactions-of-gfn-xtb-2109.10416</loc><lastmod>2021-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-the-silicon-interactions-of-gfn-xtb-2109.10416"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-the-silicon-interactions-of-gfn-xtb-2109.10416"/></url>
<url><loc>https://scifaro.com/en/abs/an-implicit-split-operator-algorithm-for-the-nonlinear-time-dependent-schr-o-dinger-equation-2109.10630</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-implicit-split-operator-algorithm-for-the-nonlinear-time-dependent-schr-o-dinger-equation-2109.10630"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-implicit-split-operator-algorithm-for-the-nonlinear-time-dependent-schr-o-dinger-equation-2109.10630"/></url>
<url><loc>https://scifaro.com/en/abs/matrix-product-states-with-large-sites-2109.11036</loc><lastmod>2022-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/matrix-product-states-with-large-sites-2109.11036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/matrix-product-states-with-large-sites-2109.11036"/></url>
<url><loc>https://scifaro.com/en/abs/transcorrelated-coupled-cluster-methods-2109.11182</loc><lastmod>2021-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transcorrelated-coupled-cluster-methods-2109.11182"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transcorrelated-coupled-cluster-methods-2109.11182"/></url>
<url><loc>https://scifaro.com/en/abs/arbitrarily-precise-quantum-alchemy-2109.11238</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/arbitrarily-precise-quantum-alchemy-2109.11238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/arbitrarily-precise-quantum-alchemy-2109.11238"/></url>
<url><loc>https://scifaro.com/en/abs/local-invertibility-and-sensitivity-of-atomic-structure-feature-mappings-2109.11440</loc><lastmod>2021-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-invertibility-and-sensitivity-of-atomic-structure-feature-mappings-2109.11440"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-invertibility-and-sensitivity-of-atomic-structure-feature-mappings-2109.11440"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-energy-surfaces-in-molecules-revealed-by-impulsive-stimulated-raman-excitation-profiles-2109.11492</loc><lastmod>2021-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-energy-surfaces-in-molecules-revealed-by-impulsive-stimulated-raman-excitation-profiles-2109.11492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-energy-surfaces-in-molecules-revealed-by-impulsive-stimulated-raman-excitation-profiles-2109.11492"/></url>
<url><loc>https://scifaro.com/en/abs/dual-phase-mos-2-and-mxene-nanohybrids-for-efficient-electrocatalytic-hydrogen-evolution-2109.11604</loc><lastmod>2021-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dual-phase-mos-2-and-mxene-nanohybrids-for-efficient-electrocatalytic-hydrogen-evolution-2109.11604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dual-phase-mos-2-and-mxene-nanohybrids-for-efficient-electrocatalytic-hydrogen-evolution-2109.11604"/></url>
<url><loc>https://scifaro.com/en/abs/removing-the-deadwood-from-dft-mrci-wave-functions-the-p-dft-mrci-method-2109.11675</loc><lastmod>2021-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/removing-the-deadwood-from-dft-mrci-wave-functions-the-p-dft-mrci-method-2109.11675"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/removing-the-deadwood-from-dft-mrci-wave-functions-the-p-dft-mrci-method-2109.11675"/></url>
<url><loc>https://scifaro.com/en/abs/phase-distortion-free-paramagnetic-nmr-spectra-2109.11860</loc><lastmod>2021-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-distortion-free-paramagnetic-nmr-spectra-2109.11860"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-distortion-free-paramagnetic-nmr-spectra-2109.11860"/></url>
<url><loc>https://scifaro.com/en/abs/equivariant-representations-for-molecular-hamiltonians-and-n-center-atomic-scale-properties-2109.12083</loc><lastmod>2021-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equivariant-representations-for-molecular-hamiltonians-and-n-center-atomic-scale-properties-2109.12083"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equivariant-representations-for-molecular-hamiltonians-and-n-center-atomic-scale-properties-2109.12083"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-nanometer-visualization-of-exciton-dynamics-in-mose-2-2109.12089</loc><lastmod>2021-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-nanometer-visualization-of-exciton-dynamics-in-mose-2-2109.12089"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-nanometer-visualization-of-exciton-dynamics-in-mose-2-2109.12089"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-different-sets-of-spin-adapted-substitution-operators-in-open-shell-coupled-cluster-theory-2109.12214</loc><lastmod>2022-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-different-sets-of-spin-adapted-substitution-operators-in-open-shell-coupled-cluster-theory-2109.12214"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-different-sets-of-spin-adapted-substitution-operators-in-open-shell-coupled-cluster-theory-2109.12214"/></url>
<url><loc>https://scifaro.com/en/abs/tailoring-zr-based-metal-organic-frameworks-by-decorating-uio-66-with-amino-group-for-adsorption-removal-of-perfluorooctanoic-acid-from-water-2109.12435</loc><lastmod>2021-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tailoring-zr-based-metal-organic-frameworks-by-decorating-uio-66-with-amino-group-for-adsorption-removal-of-perfluorooctanoic-acid-from-water-2109.12435"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tailoring-zr-based-metal-organic-frameworks-by-decorating-uio-66-with-amino-group-for-adsorption-removal-of-perfluorooctanoic-acid-from-water-2109.12435"/></url>
<url><loc>https://scifaro.com/en/abs/case21-uniting-non-empirical-and-semi-empirical-density-functional-approximation-strategies-using-constraint-based-regularization-2109.12560</loc><lastmod>2021-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/case21-uniting-non-empirical-and-semi-empirical-density-functional-approximation-strategies-using-constraint-based-regularization-2109.12560"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/case21-uniting-non-empirical-and-semi-empirical-density-functional-approximation-strategies-using-constraint-based-regularization-2109.12560"/></url>
<url><loc>https://scifaro.com/en/abs/controlling-reaction-dynamics-in-chemical-model-systems-through-external-driving-2109.12592</loc><lastmod>2021-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlling-reaction-dynamics-in-chemical-model-systems-through-external-driving-2109.12592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlling-reaction-dynamics-in-chemical-model-systems-through-external-driving-2109.12592"/></url>
<url><loc>https://scifaro.com/en/abs/autoregressive-neural-network-wavefunctions-for-ab-initio-quantum-chemistry-2109.12606</loc><lastmod>2022-01-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autoregressive-neural-network-wavefunctions-for-ab-initio-quantum-chemistry-2109.12606"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autoregressive-neural-network-wavefunctions-for-ab-initio-quantum-chemistry-2109.12606"/></url>
<url><loc>https://scifaro.com/en/abs/unitary-selective-coupled-cluster-method-2109.12652</loc><lastmod>2022-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unitary-selective-coupled-cluster-method-2109.12652"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unitary-selective-coupled-cluster-method-2109.12652"/></url>
<url><loc>https://scifaro.com/en/abs/why-does-b-12-h-12-icosahedron-need-two-electrons-to-be-stable-a-first-principles-electron-correlated-investigation-of-b-12-h-n-n-6-12-clusters-2109.12792</loc><lastmod>2022-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/why-does-b-12-h-12-icosahedron-need-two-electrons-to-be-stable-a-first-principles-electron-correlated-investigation-of-b-12-h-n-n-6-12-clusters-2109.12792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/why-does-b-12-h-12-icosahedron-need-two-electrons-to-be-stable-a-first-principles-electron-correlated-investigation-of-b-12-h-n-n-6-12-clusters-2109.12792"/></url>
<url><loc>https://scifaro.com/en/abs/multiscale-coupling-of-surface-temperature-with-solid-diffusion-in-large-lithium-ion-pouch-cells-2109.12903</loc><lastmod>2022-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-coupling-of-surface-temperature-with-solid-diffusion-in-large-lithium-ion-pouch-cells-2109.12903"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-coupling-of-surface-temperature-with-solid-diffusion-in-large-lithium-ion-pouch-cells-2109.12903"/></url>
<url><loc>https://scifaro.com/en/abs/self-consistent-determination-of-long-range-electrostatics-in-neural-network-potentials-2109.13074</loc><lastmod>2022-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-consistent-determination-of-long-range-electrostatics-in-neural-network-potentials-2109.13074"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-consistent-determination-of-long-range-electrostatics-in-neural-network-potentials-2109.13074"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-electronic-response-properties-with-an-explicit-electron-machine-learning-potential-2109.13111</loc><lastmod>2022-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-electronic-response-properties-with-an-explicit-electron-machine-learning-potential-2109.13111"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-electronic-response-properties-with-an-explicit-electron-machine-learning-potential-2109.13111"/></url>
<url><loc>https://scifaro.com/en/abs/sensitivity-of-coupled-cluster-electronic-properties-on-the-reference-determinant-can-kohn-sham-orbitals-be-more-beneficial-than-hartree-fock-orbitals-2109.13380</loc><lastmod>2025-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sensitivity-of-coupled-cluster-electronic-properties-on-the-reference-determinant-can-kohn-sham-orbitals-be-more-beneficial-than-hartree-fock-orbitals-2109.13380"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sensitivity-of-coupled-cluster-electronic-properties-on-the-reference-determinant-can-kohn-sham-orbitals-be-more-beneficial-than-hartree-fock-orbitals-2109.13380"/></url>
<url><loc>https://scifaro.com/en/abs/flexibility-of-the-factorized-form-of-the-unitary-coupled-cluster-ansatz-2109.13461</loc><lastmod>2022-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/flexibility-of-the-factorized-form-of-the-unitary-coupled-cluster-ansatz-2109.13461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/flexibility-of-the-factorized-form-of-the-unitary-coupled-cluster-ansatz-2109.13461"/></url>
<url><loc>https://scifaro.com/en/abs/difference-frequency-chirped-pulse-dual-comb-generation-in-the-thz-region-temporal-magnification-of-the-quantum-dynamics-of-water-vapor-lines-by-60-000-2109.13469</loc><lastmod>2022-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/difference-frequency-chirped-pulse-dual-comb-generation-in-the-thz-region-temporal-magnification-of-the-quantum-dynamics-of-water-vapor-lines-by-60-000-2109.13469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/difference-frequency-chirped-pulse-dual-comb-generation-in-the-thz-region-temporal-magnification-of-the-quantum-dynamics-of-water-vapor-lines-by-60-000-2109.13469"/></url>
<url><loc>https://scifaro.com/en/abs/singlet-and-triplet-to-doublet-energy-transfer-improving-organic-light-emitting-diodes-with-radicals-2109.13522</loc><lastmod>2021-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/singlet-and-triplet-to-doublet-energy-transfer-improving-organic-light-emitting-diodes-with-radicals-2109.13522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/singlet-and-triplet-to-doublet-energy-transfer-improving-organic-light-emitting-diodes-with-radicals-2109.13522"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-quantum-trajectories-with-quantum-nuclei-2109.13632</loc><lastmod>2021-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-quantum-trajectories-with-quantum-nuclei-2109.13632"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-quantum-trajectories-with-quantum-nuclei-2109.13632"/></url>
<url><loc>https://scifaro.com/en/abs/synergies-between-hyperpolarized-nmr-and-microfluidics-a-review-2109.13746</loc><lastmod>2021-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synergies-between-hyperpolarized-nmr-and-microfluidics-a-review-2109.13746"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synergies-between-hyperpolarized-nmr-and-microfluidics-a-review-2109.13746"/></url>
<url><loc>https://scifaro.com/en/abs/a-mountaineering-strategy-to-excited-states-highly-accurate-energies-and-benchmarks-for-bicyclic-systems-2109.13894</loc><lastmod>2022-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mountaineering-strategy-to-excited-states-highly-accurate-energies-and-benchmarks-for-bicyclic-systems-2109.13894"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mountaineering-strategy-to-excited-states-highly-accurate-energies-and-benchmarks-for-bicyclic-systems-2109.13894"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-effects-for-the-reaction-ubq-6-co-ubq-co-6-or-ubq-oc-6-prediction-of-the-existence-atomization-energy-and-isomerization-energy-of-the-isomers-ubq-co-6-and-ubq-oc-6-of-element-ubq-z-124-eka-uranium-2109.14006</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-effects-for-the-reaction-ubq-6-co-ubq-co-6-or-ubq-oc-6-prediction-of-the-existence-atomization-energy-and-isomerization-energy-of-the-isomers-ubq-co-6-and-ubq-oc-6-of-element-ubq-z-124-eka-uranium-2109.14006"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-effects-for-the-reaction-ubq-6-co-ubq-co-6-or-ubq-oc-6-prediction-of-the-existence-atomization-energy-and-isomerization-energy-of-the-isomers-ubq-co-6-and-ubq-oc-6-of-element-ubq-z-124-eka-uranium-2109.14006"/></url>
<url><loc>https://scifaro.com/en/abs/gaussian-processes-with-spectral-delta-kernel-for-higher-accurate-potential-energy-surfaces-for-large-molecules-2109.14074</loc><lastmod>2021-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-processes-with-spectral-delta-kernel-for-higher-accurate-potential-energy-surfaces-for-large-molecules-2109.14074"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-processes-with-spectral-delta-kernel-for-higher-accurate-potential-energy-surfaces-for-large-molecules-2109.14074"/></url>
<url><loc>https://scifaro.com/en/abs/spherical-vs-non-spherical-and-symmetry-preserving-vs-symmetry-breaking-densities-of-open-shell-atoms-in-density-functional-theory-2109.14113</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spherical-vs-non-spherical-and-symmetry-preserving-vs-symmetry-breaking-densities-of-open-shell-atoms-in-density-functional-theory-2109.14113"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spherical-vs-non-spherical-and-symmetry-preserving-vs-symmetry-breaking-densities-of-open-shell-atoms-in-density-functional-theory-2109.14113"/></url>
<url><loc>https://scifaro.com/en/abs/delta-no-and-the-complexities-of-electron-correlation-in-simple-hydrogen-clusters-2109.14129</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/delta-no-and-the-complexities-of-electron-correlation-in-simple-hydrogen-clusters-2109.14129"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/delta-no-and-the-complexities-of-electron-correlation-in-simple-hydrogen-clusters-2109.14129"/></url>
<url><loc>https://scifaro.com/en/abs/a-kernel-for-pem-fuel-cell-distribution-of-relaxation-times-2109.14341</loc><lastmod>2021-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-kernel-for-pem-fuel-cell-distribution-of-relaxation-times-2109.14341"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-kernel-for-pem-fuel-cell-distribution-of-relaxation-times-2109.14341"/></url>
<url><loc>https://scifaro.com/en/abs/a-setup-for-studies-of-photoelectron-circular-dichroism-from-chiral-molecules-in-aqueous-solution-2109.14365</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-setup-for-studies-of-photoelectron-circular-dichroism-from-chiral-molecules-in-aqueous-solution-2109.14365"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-setup-for-studies-of-photoelectron-circular-dichroism-from-chiral-molecules-in-aqueous-solution-2109.14365"/></url>
<url><loc>https://scifaro.com/en/abs/challenges-for-variational-reduced-density-matrix-theory-with-three-particle-n-representability-conditions-2109.14384</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/challenges-for-variational-reduced-density-matrix-theory-with-three-particle-n-representability-conditions-2109.14384"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/challenges-for-variational-reduced-density-matrix-theory-with-three-particle-n-representability-conditions-2109.14384"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-electronic-and-vibronic-dynamics-in-the-pyrene-molecule-and-its-cation-2109.14397</loc><lastmod>2021-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-electronic-and-vibronic-dynamics-in-the-pyrene-molecule-and-its-cation-2109.14397"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-electronic-and-vibronic-dynamics-in-the-pyrene-molecule-and-its-cation-2109.14397"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-energy-gradients-for-the-driven-similarity-renormalization-group-multireference-second-order-perturbation-theory-2109.14548</loc><lastmod>2021-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-energy-gradients-for-the-driven-similarity-renormalization-group-multireference-second-order-perturbation-theory-2109.14548"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-energy-gradients-for-the-driven-similarity-renormalization-group-multireference-second-order-perturbation-theory-2109.14548"/></url>
<url><loc>https://scifaro.com/en/abs/graphene-based-sponges-for-electrochemical-degradation-of-persistent-organic-contaminants-2109.14556</loc><lastmod>2021-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graphene-based-sponges-for-electrochemical-degradation-of-persistent-organic-contaminants-2109.14556"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graphene-based-sponges-for-electrochemical-degradation-of-persistent-organic-contaminants-2109.14556"/></url>
<url><loc>https://scifaro.com/en/abs/an-in-situ-conductometric-apparatus-for-physicochemical-characterization-of-solutions-and-in-line-monitoring-of-separation-processes-at-elevated-temperatures-and-pressures-2109.14884</loc><lastmod>2022-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-in-situ-conductometric-apparatus-for-physicochemical-characterization-of-solutions-and-in-line-monitoring-of-separation-processes-at-elevated-temperatures-and-pressures-2109.14884"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-in-situ-conductometric-apparatus-for-physicochemical-characterization-of-solutions-and-in-line-monitoring-of-separation-processes-at-elevated-temperatures-and-pressures-2109.14884"/></url>
<url><loc>https://scifaro.com/en/abs/d-retention-and-material-defects-probed-using-raman-microscopy-in-jet-limiter-samples-and-beryllium-based-synthesized-samples-2109.15077</loc><lastmod>2021-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/d-retention-and-material-defects-probed-using-raman-microscopy-in-jet-limiter-samples-and-beryllium-based-synthesized-samples-2109.15077"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/d-retention-and-material-defects-probed-using-raman-microscopy-in-jet-limiter-samples-and-beryllium-based-synthesized-samples-2109.15077"/></url>
<url><loc>https://scifaro.com/en/abs/non-covalent-interactions-between-molecular-dimers-s66-in-electric-fields-2109.15225</loc><lastmod>2021-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-covalent-interactions-between-molecular-dimers-s66-in-electric-fields-2109.15225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-covalent-interactions-between-molecular-dimers-s66-in-electric-fields-2109.15225"/></url>
<url><loc>https://scifaro.com/en/abs/nacl-salts-in-finite-aqueous-environments-at-the-fine-particle-marine-aerosol-scale-2109.15265</loc><lastmod>2022-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nacl-salts-in-finite-aqueous-environments-at-the-fine-particle-marine-aerosol-scale-2109.15265"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nacl-salts-in-finite-aqueous-environments-at-the-fine-particle-marine-aerosol-scale-2109.15265"/></url>
<url><loc>https://scifaro.com/en/abs/alkaline-co-electro-oxidation-mechanistic-differences-between-copper-and-gold-single-crystals-and-peculiarities-of-various-copper-facets-2109.15269</loc><lastmod>2021-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alkaline-co-electro-oxidation-mechanistic-differences-between-copper-and-gold-single-crystals-and-peculiarities-of-various-copper-facets-2109.15269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alkaline-co-electro-oxidation-mechanistic-differences-between-copper-and-gold-single-crystals-and-peculiarities-of-various-copper-facets-2109.15269"/></url>
<url><loc>https://scifaro.com/en/abs/isolating-polaritonic-2d-ir-transmission-spectra-2110.00073</loc><lastmod>2021-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isolating-polaritonic-2d-ir-transmission-spectra-2110.00073"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isolating-polaritonic-2d-ir-transmission-spectra-2110.00073"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-dmrg-made-simple-with-feast-2110.00092</loc><lastmod>2022-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-dmrg-made-simple-with-feast-2110.00092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-dmrg-made-simple-with-feast-2110.00092"/></url>
<url><loc>https://scifaro.com/en/abs/decoherence-and-revival-in-attosecond-charge-migration-driven-by-non-adiabatic-dynamics-2110.00357</loc><lastmod>2022-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decoherence-and-revival-in-attosecond-charge-migration-driven-by-non-adiabatic-dynamics-2110.00357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decoherence-and-revival-in-attosecond-charge-migration-driven-by-non-adiabatic-dynamics-2110.00357"/></url>
<url><loc>https://scifaro.com/en/abs/generation-of-helical-states-breaking-of-symmetries-curie-s-principle-and-excited-states-2110.00509</loc><lastmod>2021-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generation-of-helical-states-breaking-of-symmetries-curie-s-principle-and-excited-states-2110.00509"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generation-of-helical-states-breaking-of-symmetries-curie-s-principle-and-excited-states-2110.00509"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-and-magnetic-breit-effects-for-the-isomerization-of-sg-co-6-and-sg-oc-6-2110.00572</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-and-magnetic-breit-effects-for-the-isomerization-of-sg-co-6-and-sg-oc-6-2110.00572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-and-magnetic-breit-effects-for-the-isomerization-of-sg-co-6-and-sg-oc-6-2110.00572"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-polarization-averaged-core-level-molecular-frame-photoelectron-angular-distributions-iii-new-formula-for-p-and-s-wave-interference-analogous-to-young-s-double-slit-for-core-level-photoemission-from-hetero-diatomic-molecules-2110.00749</loc><lastmod>2022-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-polarization-averaged-core-level-molecular-frame-photoelectron-angular-distributions-iii-new-formula-for-p-and-s-wave-interference-analogous-to-young-s-double-slit-for-core-level-photoemission-from-hetero-diatomic-molecules-2110.00749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-polarization-averaged-core-level-molecular-frame-photoelectron-angular-distributions-iii-new-formula-for-p-and-s-wave-interference-analogous-to-young-s-double-slit-for-core-level-photoemission-from-hetero-diatomic-molecules-2110.00749"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-quantum-theory-and-algorithms-a-toolbox-for-modeling-many-fermion-systems-in-different-scenarios-2110.00775</loc><lastmod>2021-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-quantum-theory-and-algorithms-a-toolbox-for-modeling-many-fermion-systems-in-different-scenarios-2110.00775"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-quantum-theory-and-algorithms-a-toolbox-for-modeling-many-fermion-systems-in-different-scenarios-2110.00775"/></url>
<url><loc>https://scifaro.com/en/abs/superior-gas-sensing-properties-of-beta-in-2-se-3-a-first-principles-investigation-2110.00867</loc><lastmod>2021-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/superior-gas-sensing-properties-of-beta-in-2-se-3-a-first-principles-investigation-2110.00867"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/superior-gas-sensing-properties-of-beta-in-2-se-3-a-first-principles-investigation-2110.00867"/></url>
<url><loc>https://scifaro.com/en/abs/density-functionals-with-spin-density-accuracy-for-open-shells-2110.00969</loc><lastmod>2022-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functionals-with-spin-density-accuracy-for-open-shells-2110.00969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functionals-with-spin-density-accuracy-for-open-shells-2110.00969"/></url>
<url><loc>https://scifaro.com/en/abs/generalised-kohn-sham-equations-with-accurate-total-energy-and-single-particle-eigenvalue-spectrum-2110.01016</loc><lastmod>2022-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalised-kohn-sham-equations-with-accurate-total-energy-and-single-particle-eigenvalue-spectrum-2110.01016"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalised-kohn-sham-equations-with-accurate-total-energy-and-single-particle-eigenvalue-spectrum-2110.01016"/></url>
<url><loc>https://scifaro.com/en/abs/hf-df-tf-approximating-potential-curves-calculating-rovibrational-states-2110.01991</loc><lastmod>2021-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hf-df-tf-approximating-potential-curves-calculating-rovibrational-states-2110.01991"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hf-df-tf-approximating-potential-curves-calculating-rovibrational-states-2110.01991"/></url>
<url><loc>https://scifaro.com/en/abs/not-dark-yet-strong-light-matter-coupling-can-accelerate-singlet-fission-dynamics-2110.02173</loc><lastmod>2021-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/not-dark-yet-strong-light-matter-coupling-can-accelerate-singlet-fission-dynamics-2110.02173"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/not-dark-yet-strong-light-matter-coupling-can-accelerate-singlet-fission-dynamics-2110.02173"/></url>
<url><loc>https://scifaro.com/en/abs/ionization-and-electron-excitation-of-fullerene-molecules-in-a-carbon-nanotube-a-variable-temperature-voltage-transmission-electron-microscopic-study-2110.02530</loc><lastmod>2022-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionization-and-electron-excitation-of-fullerene-molecules-in-a-carbon-nanotube-a-variable-temperature-voltage-transmission-electron-microscopic-study-2110.02530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionization-and-electron-excitation-of-fullerene-molecules-in-a-carbon-nanotube-a-variable-temperature-voltage-transmission-electron-microscopic-study-2110.02530"/></url>
<url><loc>https://scifaro.com/en/abs/selected-machine-learning-of-homo-lumo-gaps-with-improved-data-efficiency-2110.02596</loc><lastmod>2021-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selected-machine-learning-of-homo-lumo-gaps-with-improved-data-efficiency-2110.02596"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selected-machine-learning-of-homo-lumo-gaps-with-improved-data-efficiency-2110.02596"/></url>
<url><loc>https://scifaro.com/en/abs/the-junchs-and-junchs-f12-models-parameter-free-efficient-yet-accurate-composite-schemes-for-energies-and-structures-of-non-covalent-complexes-2110.03075</loc><lastmod>2021-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-junchs-and-junchs-f12-models-parameter-free-efficient-yet-accurate-composite-schemes-for-energies-and-structures-of-non-covalent-complexes-2110.03075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-junchs-and-junchs-f12-models-parameter-free-efficient-yet-accurate-composite-schemes-for-energies-and-structures-of-non-covalent-complexes-2110.03075"/></url>
<url><loc>https://scifaro.com/en/abs/the-functional-role-of-the-hemoglobin-water-interface-2110.03201</loc><lastmod>2021-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-functional-role-of-the-hemoglobin-water-interface-2110.03201"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-functional-role-of-the-hemoglobin-water-interface-2110.03201"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-ph-oscillations-in-a-model-of-the-urea-urease-reaction-confined-to-lipid-vesicles-2110.03465</loc><lastmod>2021-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-ph-oscillations-in-a-model-of-the-urea-urease-reaction-confined-to-lipid-vesicles-2110.03465"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-ph-oscillations-in-a-model-of-the-urea-urease-reaction-confined-to-lipid-vesicles-2110.03465"/></url>
<url><loc>https://scifaro.com/en/abs/coupling-in-quantum-dot-molecular-hetero-assemblies-2110.03989</loc><lastmod>2021-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupling-in-quantum-dot-molecular-hetero-assemblies-2110.03989"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupling-in-quantum-dot-molecular-hetero-assemblies-2110.03989"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-statically-screened-g3w2-correction-to-the-gw-self-energy-charged-excitations-and-total-energies-of-finite-systems-2110.04105</loc><lastmod>2022-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-statically-screened-g3w2-correction-to-the-gw-self-energy-charged-excitations-and-total-energies-of-finite-systems-2110.04105"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-statically-screened-g3w2-correction-to-the-gw-self-energy-charged-excitations-and-total-energies-of-finite-systems-2110.04105"/></url>
<url><loc>https://scifaro.com/en/abs/polyhalogenated-molecules-in-the-polarizable-ellipsoidal-force-field-model-2110.04189</loc><lastmod>2022-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polyhalogenated-molecules-in-the-polarizable-ellipsoidal-force-field-model-2110.04189"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polyhalogenated-molecules-in-the-polarizable-ellipsoidal-force-field-model-2110.04189"/></url>
<url><loc>https://scifaro.com/en/abs/structural-and-dynamic-properties-of-solvated-hydroxide-and-hydronium-ions-in-water-from-ab-initio-modeling-2110.04470</loc><lastmod>2022-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-and-dynamic-properties-of-solvated-hydroxide-and-hydronium-ions-in-water-from-ab-initio-modeling-2110.04470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-and-dynamic-properties-of-solvated-hydroxide-and-hydronium-ions-in-water-from-ab-initio-modeling-2110.04470"/></url>
<url><loc>https://scifaro.com/en/abs/detecting-multiple-chirality-centers-in-chiral-molecules-with-high-harmonic-generation-2110.05307</loc><lastmod>2022-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detecting-multiple-chirality-centers-in-chiral-molecules-with-high-harmonic-generation-2110.05307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detecting-multiple-chirality-centers-in-chiral-molecules-with-high-harmonic-generation-2110.05307"/></url>
<url><loc>https://scifaro.com/en/abs/chemi-sorbed-versus-physi-sorbed-surface-charge-and-its-impact-on-electrokinetic-transport-carbon-versus-boron-nitride-surface-2110.05378</loc><lastmod>2022-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemi-sorbed-versus-physi-sorbed-surface-charge-and-its-impact-on-electrokinetic-transport-carbon-versus-boron-nitride-surface-2110.05378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemi-sorbed-versus-physi-sorbed-surface-charge-and-its-impact-on-electrokinetic-transport-carbon-versus-boron-nitride-surface-2110.05378"/></url>
<url><loc>https://scifaro.com/en/abs/data-driven-modeling-of-s0-s1-excitation-energy-in-the-bodipy-chemical-space-high-throughput-computation-quantum-machine-learning-and-inverse-design-2110.05414</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/data-driven-modeling-of-s0-s1-excitation-energy-in-the-bodipy-chemical-space-high-throughput-computation-quantum-machine-learning-and-inverse-design-2110.05414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/data-driven-modeling-of-s0-s1-excitation-energy-in-the-bodipy-chemical-space-high-throughput-computation-quantum-machine-learning-and-inverse-design-2110.05414"/></url>
<url><loc>https://scifaro.com/en/abs/learning-atomic-multipoles-prediction-of-the-electrostatic-potential-with-equivariant-graph-neural-networks-2110.05417</loc><lastmod>2022-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-atomic-multipoles-prediction-of-the-electrostatic-potential-with-equivariant-graph-neural-networks-2110.05417"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-atomic-multipoles-prediction-of-the-electrostatic-potential-with-equivariant-graph-neural-networks-2110.05417"/></url>
<url><loc>https://scifaro.com/en/abs/computationally-driven-discovery-of-sars-cov-2-mpro-inhibitors-from-design-to-experimental-validation-2110.05427</loc><lastmod>2023-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computationally-driven-discovery-of-sars-cov-2-mpro-inhibitors-from-design-to-experimental-validation-2110.05427"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computationally-driven-discovery-of-sars-cov-2-mpro-inhibitors-from-design-to-experimental-validation-2110.05427"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-long-range-forces-on-the-transition-states-and-dynamics-of-nacl-ion-pair-dissociation-in-water-2110.05646</loc><lastmod>2021-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-long-range-forces-on-the-transition-states-and-dynamics-of-nacl-ion-pair-dissociation-in-water-2110.05646"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-long-range-forces-on-the-transition-states-and-dynamics-of-nacl-ion-pair-dissociation-in-water-2110.05646"/></url>
<url><loc>https://scifaro.com/en/abs/total-angular-momentum-representation-for-state-to-state-quantum-scattering-of-cold-molecules-in-a-magnetic-field-2110.05681</loc><lastmod>2022-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/total-angular-momentum-representation-for-state-to-state-quantum-scattering-of-cold-molecules-in-a-magnetic-field-2110.05681"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/total-angular-momentum-representation-for-state-to-state-quantum-scattering-of-cold-molecules-in-a-magnetic-field-2110.05681"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-of-translational-and-rotational-thermalization-of-alf-molecules-via-collisions-with-cryogenic-helium-2110.05782</loc><lastmod>2022-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-of-translational-and-rotational-thermalization-of-alf-molecules-via-collisions-with-cryogenic-helium-2110.05782"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-of-translational-and-rotational-thermalization-of-alf-molecules-via-collisions-with-cryogenic-helium-2110.05782"/></url>
<url><loc>https://scifaro.com/en/abs/surface-science-using-coupled-cluster-theory-via-local-wannier-functions-and-in-rpa-embedding-the-case-of-water-on-graphitic-carbon-nitride-2110.06035</loc><lastmod>2022-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-science-using-coupled-cluster-theory-via-local-wannier-functions-and-in-rpa-embedding-the-case-of-water-on-graphitic-carbon-nitride-2110.06035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-science-using-coupled-cluster-theory-via-local-wannier-functions-and-in-rpa-embedding-the-case-of-water-on-graphitic-carbon-nitride-2110.06035"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-for-laser-induced-electron-diffraction-imaging-of-molecular-structures-2110.06097</loc><lastmod>2021-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-for-laser-induced-electron-diffraction-imaging-of-molecular-structures-2110.06097"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-for-laser-induced-electron-diffraction-imaging-of-molecular-structures-2110.06097"/></url>
<url><loc>https://scifaro.com/en/abs/variational-dirac-coulomb-explicitly-correlated-computations-for-atoms-and-molecules-2110.06638</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-dirac-coulomb-explicitly-correlated-computations-for-atoms-and-molecules-2110.06638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-dirac-coulomb-explicitly-correlated-computations-for-atoms-and-molecules-2110.06638"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-breit-interaction-in-an-explicitly-correlated-variational-dirac-coulomb-framework-2110.06647</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-breit-interaction-in-an-explicitly-correlated-variational-dirac-coulomb-framework-2110.06647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-breit-interaction-in-an-explicitly-correlated-variational-dirac-coulomb-framework-2110.06647"/></url>
<url><loc>https://scifaro.com/en/abs/a-concise-tutorial-review-of-reverse-osmosis-and-electrodialysis-2110.07506</loc><lastmod>2025-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-concise-tutorial-review-of-reverse-osmosis-and-electrodialysis-2110.07506"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-concise-tutorial-review-of-reverse-osmosis-and-electrodialysis-2110.07506"/></url>
<url><loc>https://scifaro.com/en/abs/validity-of-solid-state-li-diffusion-coefficient-estimation-by-electrochemical-approaches-for-lithium-ion-batteries-2110.07724</loc><lastmod>2021-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/validity-of-solid-state-li-diffusion-coefficient-estimation-by-electrochemical-approaches-for-lithium-ion-batteries-2110.07724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/validity-of-solid-state-li-diffusion-coefficient-estimation-by-electrochemical-approaches-for-lithium-ion-batteries-2110.07724"/></url>
<url><loc>https://scifaro.com/en/abs/density-corrected-dft-explained-questions-and-answers-2110.07849</loc><lastmod>2021-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-corrected-dft-explained-questions-and-answers-2110.07849"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-corrected-dft-explained-questions-and-answers-2110.07849"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-auger-decay-rates-from-complex-variable-coupled-cluster-theory-2110.08925</loc><lastmod>2023-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-auger-decay-rates-from-complex-variable-coupled-cluster-theory-2110.08925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-auger-decay-rates-from-complex-variable-coupled-cluster-theory-2110.08925"/></url>
<url><loc>https://scifaro.com/en/abs/finding-the-right-bricks-for-molecular-lego-a-data-mining-approach-to-organic-semiconductor-design-2110.09149</loc><lastmod>2021-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finding-the-right-bricks-for-molecular-lego-a-data-mining-approach-to-organic-semiconductor-design-2110.09149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finding-the-right-bricks-for-molecular-lego-a-data-mining-approach-to-organic-semiconductor-design-2110.09149"/></url>
<url><loc>https://scifaro.com/en/abs/screening-of-common-synthetic-polymers-for-depolymerization-by-subcritical-hydrothermal-liquefaction-2110.09213</loc><lastmod>2021-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/screening-of-common-synthetic-polymers-for-depolymerization-by-subcritical-hydrothermal-liquefaction-2110.09213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/screening-of-common-synthetic-polymers-for-depolymerization-by-subcritical-hydrothermal-liquefaction-2110.09213"/></url>
<url><loc>https://scifaro.com/en/abs/optical-imaging-and-tracking-of-single-molecules-in-ultrahigh-vacuum-2110.09224</loc><lastmod>2021-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-imaging-and-tracking-of-single-molecules-in-ultrahigh-vacuum-2110.09224"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-imaging-and-tracking-of-single-molecules-in-ultrahigh-vacuum-2110.09224"/></url>
<url><loc>https://scifaro.com/en/abs/irmpd-spectroscopy-of-a-pah-cation-using-felice-the-infrared-spectrum-and-photodissociation-of-dibenzo-a-l-pyrene-2110.09249</loc><lastmod>2021-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/irmpd-spectroscopy-of-a-pah-cation-using-felice-the-infrared-spectrum-and-photodissociation-of-dibenzo-a-l-pyrene-2110.09249"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/irmpd-spectroscopy-of-a-pah-cation-using-felice-the-infrared-spectrum-and-photodissociation-of-dibenzo-a-l-pyrene-2110.09249"/></url>
<url><loc>https://scifaro.com/en/abs/hydrothermal-co-liquefaction-of-synthetic-polymers-and-miscanthus-giganteus-synergistic-and-antagonistic-effects-2110.09312</loc><lastmod>2021-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrothermal-co-liquefaction-of-synthetic-polymers-and-miscanthus-giganteus-synergistic-and-antagonistic-effects-2110.09312"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrothermal-co-liquefaction-of-synthetic-polymers-and-miscanthus-giganteus-synergistic-and-antagonistic-effects-2110.09312"/></url>
<url><loc>https://scifaro.com/en/abs/combined-hydrothermal-liquefaction-of-polyurethane-and-lignocellulosic-biomass-for-improved-carbon-recovery-2110.09325</loc><lastmod>2021-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combined-hydrothermal-liquefaction-of-polyurethane-and-lignocellulosic-biomass-for-improved-carbon-recovery-2110.09325"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combined-hydrothermal-liquefaction-of-polyurethane-and-lignocellulosic-biomass-for-improved-carbon-recovery-2110.09325"/></url>
<url><loc>https://scifaro.com/en/abs/radiative-heat-transfer-at-nanoscale-experimental-trends-and-challenges-2110.09781</loc><lastmod>2021-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/radiative-heat-transfer-at-nanoscale-experimental-trends-and-challenges-2110.09781"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/radiative-heat-transfer-at-nanoscale-experimental-trends-and-challenges-2110.09781"/></url>
<url><loc>https://scifaro.com/en/abs/parameterising-continuum-level-li-ion-battery-models-the-liiondb-database-2110.09879</loc><lastmod>2022-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parameterising-continuum-level-li-ion-battery-models-the-liiondb-database-2110.09879"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parameterising-continuum-level-li-ion-battery-models-the-liiondb-database-2110.09879"/></url>
<url><loc>https://scifaro.com/en/abs/multicomponent-heat-bath-configuration-interaction-with-the-perturbative-correction-for-the-calculation-of-protonic-excited-states-2110.09946</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multicomponent-heat-bath-configuration-interaction-with-the-perturbative-correction-for-the-calculation-of-protonic-excited-states-2110.09946"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multicomponent-heat-bath-configuration-interaction-with-the-perturbative-correction-for-the-calculation-of-protonic-excited-states-2110.09946"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-1-h-singlet-relaxation-via-intermolecular-dipolar-couplings-using-the-molecular-dynamics-method-2110.10488</loc><lastmod>2021-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-1-h-singlet-relaxation-via-intermolecular-dipolar-couplings-using-the-molecular-dynamics-method-2110.10488"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-1-h-singlet-relaxation-via-intermolecular-dipolar-couplings-using-the-molecular-dynamics-method-2110.10488"/></url>
<url><loc>https://scifaro.com/en/abs/polyatomic-radiative-association-by-quasiclassical-trajectory-calculations-cross-section-for-the-formation-of-hcn-molecules-in-h-cn-collisions-2110.10981</loc><lastmod>2021-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polyatomic-radiative-association-by-quasiclassical-trajectory-calculations-cross-section-for-the-formation-of-hcn-molecules-in-h-cn-collisions-2110.10981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polyatomic-radiative-association-by-quasiclassical-trajectory-calculations-cross-section-for-the-formation-of-hcn-molecules-in-h-cn-collisions-2110.10981"/></url>
<url><loc>https://scifaro.com/en/abs/alternation-of-singlet-and-triplet-states-in-carbon-based-chain-molecules-and-its-astrochemical-implications-results-of-an-extensive-theoretical-study-2110.11071</loc><lastmod>2021-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alternation-of-singlet-and-triplet-states-in-carbon-based-chain-molecules-and-its-astrochemical-implications-results-of-an-extensive-theoretical-study-2110.11071"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alternation-of-singlet-and-triplet-states-in-carbon-based-chain-molecules-and-its-astrochemical-implications-results-of-an-extensive-theoretical-study-2110.11071"/></url>
<url><loc>https://scifaro.com/en/abs/a-molecular-perspective-on-induced-charges-on-a-metallic-surface-2110.11103</loc><lastmod>2021-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-molecular-perspective-on-induced-charges-on-a-metallic-surface-2110.11103"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-molecular-perspective-on-induced-charges-on-a-metallic-surface-2110.11103"/></url>
<url><loc>https://scifaro.com/en/abs/emulator-based-decomposition-for-structural-sensitivity-of-core-level-spectra-2110.11105</loc><lastmod>2022-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/emulator-based-decomposition-for-structural-sensitivity-of-core-level-spectra-2110.11105"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/emulator-based-decomposition-for-structural-sensitivity-of-core-level-spectra-2110.11105"/></url>
<url><loc>https://scifaro.com/en/abs/controlling-text-li-transport-in-ionic-liquid-electrolytes-through-salt-content-and-anion-asymmetry-a-mechanistic-understanding-gained-from-molecular-dynamics-simulations-2110.11278</loc><lastmod>2022-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlling-text-li-transport-in-ionic-liquid-electrolytes-through-salt-content-and-anion-asymmetry-a-mechanistic-understanding-gained-from-molecular-dynamics-simulations-2110.11278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlling-text-li-transport-in-ionic-liquid-electrolytes-through-salt-content-and-anion-asymmetry-a-mechanistic-understanding-gained-from-molecular-dynamics-simulations-2110.11278"/></url>
<url><loc>https://scifaro.com/en/abs/basis-set-correction-based-on-density-functional-theory-rigorous-framework-for-a-one-dimensional-model-2110.11629</loc><lastmod>2022-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/basis-set-correction-based-on-density-functional-theory-rigorous-framework-for-a-one-dimensional-model-2110.11629"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/basis-set-correction-based-on-density-functional-theory-rigorous-framework-for-a-one-dimensional-model-2110.11629"/></url>
<url><loc>https://scifaro.com/en/abs/dqc-a-python-program-package-for-differentiable-quantum-chemistry-2110.11678</loc><lastmod>2022-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dqc-a-python-program-package-for-differentiable-quantum-chemistry-2110.11678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dqc-a-python-program-package-for-differentiable-quantum-chemistry-2110.11678"/></url>
<url><loc>https://scifaro.com/en/abs/double-proton-transfer-in-hydrated-formic-acid-dimer-interplay-of-spatial-symmetry-and-solvent-generated-force-on-reactivity-2110.11785</loc><lastmod>2022-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-proton-transfer-in-hydrated-formic-acid-dimer-interplay-of-spatial-symmetry-and-solvent-generated-force-on-reactivity-2110.11785"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-proton-transfer-in-hydrated-formic-acid-dimer-interplay-of-spatial-symmetry-and-solvent-generated-force-on-reactivity-2110.11785"/></url>
<url><loc>https://scifaro.com/en/abs/resolution-vs-accuracy-dilemma-in-machine-learning-modeling-of-electronic-excitation-spectra-2110.11798</loc><lastmod>2022-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resolution-vs-accuracy-dilemma-in-machine-learning-modeling-of-electronic-excitation-spectra-2110.11798"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resolution-vs-accuracy-dilemma-in-machine-learning-modeling-of-electronic-excitation-spectra-2110.11798"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-on-quantum-annealers-2110.12096</loc><lastmod>2022-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-on-quantum-annealers-2110.12096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-on-quantum-annealers-2110.12096"/></url>
<url><loc>https://scifaro.com/en/abs/an-encounter-based-approach-for-restricted-diffusion-with-a-gradient-drift-2110.12181</loc><lastmod>2022-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-encounter-based-approach-for-restricted-diffusion-with-a-gradient-drift-2110.12181"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-encounter-based-approach-for-restricted-diffusion-with-a-gradient-drift-2110.12181"/></url>
<url><loc>https://scifaro.com/en/abs/origin-of-chirality-in-the-molecules-of-life-2110.12232</loc><lastmod>2021-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/origin-of-chirality-in-the-molecules-of-life-2110.12232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/origin-of-chirality-in-the-molecules-of-life-2110.12232"/></url>
<url><loc>https://scifaro.com/en/abs/space-warp-coordinate-transformation-for-efficient-ionic-force-calculations-in-quantum-monte-carlo-2110.12234</loc><lastmod>2022-01-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/space-warp-coordinate-transformation-for-efficient-ionic-force-calculations-in-quantum-monte-carlo-2110.12234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/space-warp-coordinate-transformation-for-efficient-ionic-force-calculations-in-quantum-monte-carlo-2110.12234"/></url>
<url><loc>https://scifaro.com/en/abs/freeze-frame-approach-for-robust-single-molecule-tip-enhnaced-raman-spectroscopy-at-room-temperature-2110.12641</loc><lastmod>2022-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/freeze-frame-approach-for-robust-single-molecule-tip-enhnaced-raman-spectroscopy-at-room-temperature-2110.12641"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/freeze-frame-approach-for-robust-single-molecule-tip-enhnaced-raman-spectroscopy-at-room-temperature-2110.12641"/></url>
<url><loc>https://scifaro.com/en/abs/binding-group-of-oligonucleotides-on-tio-2-surfaces-phosphate-anions-or-nucleobases-2110.12750</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binding-group-of-oligonucleotides-on-tio-2-surfaces-phosphate-anions-or-nucleobases-2110.12750"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binding-group-of-oligonucleotides-on-tio-2-surfaces-phosphate-anions-or-nucleobases-2110.12750"/></url>
<url><loc>https://scifaro.com/en/abs/the-symmetry-preserving-mean-field-condition-for-electrostatic-correlations-in-bulk-2110.12795</loc><lastmod>2024-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-symmetry-preserving-mean-field-condition-for-electrostatic-correlations-in-bulk-2110.12795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-symmetry-preserving-mean-field-condition-for-electrostatic-correlations-in-bulk-2110.12795"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-diffusivity-of-click-reaction-components-the-diffusion-enhancement-question-2110.12819</loc><lastmod>2022-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-diffusivity-of-click-reaction-components-the-diffusion-enhancement-question-2110.12819"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-diffusivity-of-click-reaction-components-the-diffusion-enhancement-question-2110.12819"/></url>
<url><loc>https://scifaro.com/en/abs/doping-mapbbr-3-hybrid-perovskites-with-cdse-cdzns-quantum-dots-from-emissive-thin-films-to-hybrid-single-photon-sources-2110.12886</loc><lastmod>2021-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/doping-mapbbr-3-hybrid-perovskites-with-cdse-cdzns-quantum-dots-from-emissive-thin-films-to-hybrid-single-photon-sources-2110.12886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/doping-mapbbr-3-hybrid-perovskites-with-cdse-cdzns-quantum-dots-from-emissive-thin-films-to-hybrid-single-photon-sources-2110.12886"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-solvents-in-the-formation-of-methylammonium-lead-triiodide-perovskite-2110.13018</loc><lastmod>2021-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-solvents-in-the-formation-of-methylammonium-lead-triiodide-perovskite-2110.13018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-solvents-in-the-formation-of-methylammonium-lead-triiodide-perovskite-2110.13018"/></url>
<url><loc>https://scifaro.com/en/abs/spa-mathrm-h-m-the-spectrum-of-approximated-hamiltonian-matrices-representations-2110.13037</loc><lastmod>2024-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spa-mathrm-h-m-the-spectrum-of-approximated-hamiltonian-matrices-representations-2110.13037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spa-mathrm-h-m-the-spectrum-of-approximated-hamiltonian-matrices-representations-2110.13037"/></url>
<url><loc>https://scifaro.com/en/abs/meta-analysis-of-uniform-scaling-factors-for-harmonic-frequency-calculations-2110.13276</loc><lastmod>2021-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/meta-analysis-of-uniform-scaling-factors-for-harmonic-frequency-calculations-2110.13276"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/meta-analysis-of-uniform-scaling-factors-for-harmonic-frequency-calculations-2110.13276"/></url>
<url><loc>https://scifaro.com/en/abs/elucidating-the-proton-transport-pathways-in-liquid-imidazole-with-first-principles-molecular-dynamics-2110.13357</loc><lastmod>2021-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elucidating-the-proton-transport-pathways-in-liquid-imidazole-with-first-principles-molecular-dynamics-2110.13357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elucidating-the-proton-transport-pathways-in-liquid-imidazole-with-first-principles-molecular-dynamics-2110.13357"/></url>
<url><loc>https://scifaro.com/en/abs/transient-polarization-and-dendrite-initiation-dynamics-in-ceramic-electrolytes-2110.13399</loc><lastmod>2024-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transient-polarization-and-dendrite-initiation-dynamics-in-ceramic-electrolytes-2110.13399"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transient-polarization-and-dendrite-initiation-dynamics-in-ceramic-electrolytes-2110.13399"/></url>
<url><loc>https://scifaro.com/en/abs/in-situ-surface-enhanced-raman-spectroscopy-to-investigate-polyyne-formation-during-pulsed-laser-ablation-in-liquid-2110.13734</loc><lastmod>2022-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-situ-surface-enhanced-raman-spectroscopy-to-investigate-polyyne-formation-during-pulsed-laser-ablation-in-liquid-2110.13734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-situ-surface-enhanced-raman-spectroscopy-to-investigate-polyyne-formation-during-pulsed-laser-ablation-in-liquid-2110.13734"/></url>
<url><loc>https://scifaro.com/en/abs/a-reciprocal-space-formulation-of-surface-hopping-2110.13777</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-reciprocal-space-formulation-of-surface-hopping-2110.13777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-reciprocal-space-formulation-of-surface-hopping-2110.13777"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-weak-field-attosecond-processes-with-a-lanczos-reduced-basis-approach-to-time-dependent-equation-of-motion-coupled-cluster-theory-2110.13853</loc><lastmod>2022-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-weak-field-attosecond-processes-with-a-lanczos-reduced-basis-approach-to-time-dependent-equation-of-motion-coupled-cluster-theory-2110.13853"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-weak-field-attosecond-processes-with-a-lanczos-reduced-basis-approach-to-time-dependent-equation-of-motion-coupled-cluster-theory-2110.13853"/></url>
<url><loc>https://scifaro.com/en/abs/search-for-long-lasting-electronic-coherence-using-on-the-fly-ab-initio-semiclassical-dynamics-2110.13904</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/search-for-long-lasting-electronic-coherence-using-on-the-fly-ab-initio-semiclassical-dynamics-2110.13904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/search-for-long-lasting-electronic-coherence-using-on-the-fly-ab-initio-semiclassical-dynamics-2110.13904"/></url>
<url><loc>https://scifaro.com/en/abs/characterizing-and-contrasting-structural-proton-transport-mechanisms-in-azole-hydrogen-bond-networks-using-ab-initio-molecular-dynamics-2110.13915</loc><lastmod>2021-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterizing-and-contrasting-structural-proton-transport-mechanisms-in-azole-hydrogen-bond-networks-using-ab-initio-molecular-dynamics-2110.13915"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterizing-and-contrasting-structural-proton-transport-mechanisms-in-azole-hydrogen-bond-networks-using-ab-initio-molecular-dynamics-2110.13915"/></url>
<url><loc>https://scifaro.com/en/abs/how-well-does-kohn-sham-regularizer-work-for-weakly-correlated-systems-2110.14846</loc><lastmod>2022-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-well-does-kohn-sham-regularizer-work-for-weakly-correlated-systems-2110.14846"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-well-does-kohn-sham-regularizer-work-for-weakly-correlated-systems-2110.14846"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-internal-conversion-dynamics-through-the-on-the-fly-simulation-of-transient-absorption-pump-probe-spectra-with-different-electronic-structure-methods-2110.14901</loc><lastmod>2021-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-internal-conversion-dynamics-through-the-on-the-fly-simulation-of-transient-absorption-pump-probe-spectra-with-different-electronic-structure-methods-2110.14901"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-internal-conversion-dynamics-through-the-on-the-fly-simulation-of-transient-absorption-pump-probe-spectra-with-different-electronic-structure-methods-2110.14901"/></url>
<url><loc>https://scifaro.com/en/abs/another-multiparametric-way-in-planning-of-experiments-for-o-w-emulsion-design-2110.14955</loc><lastmod>2021-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/another-multiparametric-way-in-planning-of-experiments-for-o-w-emulsion-design-2110.14955"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/another-multiparametric-way-in-planning-of-experiments-for-o-w-emulsion-design-2110.14955"/></url>
<url><loc>https://scifaro.com/en/abs/water-superstructured-solid-fuel-cells-2110.15126</loc><lastmod>2021-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-superstructured-solid-fuel-cells-2110.15126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-superstructured-solid-fuel-cells-2110.15126"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-potential-of-fourier-encoded-saturation-transfers-for-sensitizing-solid-state-magic-angle-spinning-nmr-experiments-2110.15451</loc><lastmod>2022-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-potential-of-fourier-encoded-saturation-transfers-for-sensitizing-solid-state-magic-angle-spinning-nmr-experiments-2110.15451"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-potential-of-fourier-encoded-saturation-transfers-for-sensitizing-solid-state-magic-angle-spinning-nmr-experiments-2110.15451"/></url>
<url><loc>https://scifaro.com/en/abs/momentum-space-imaging-of-sigma-orbitals-for-chemical-analysis-2111.00250</loc><lastmod>2022-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/momentum-space-imaging-of-sigma-orbitals-for-chemical-analysis-2111.00250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/momentum-space-imaging-of-sigma-orbitals-for-chemical-analysis-2111.00250"/></url>
<url><loc>https://scifaro.com/en/abs/two-component-density-functional-theory-for-muonic-molecules-inclusion-of-the-electron-positive-muon-correlation-functional-2111.00475</loc><lastmod>2022-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-component-density-functional-theory-for-muonic-molecules-inclusion-of-the-electron-positive-muon-correlation-functional-2111.00475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-component-density-functional-theory-for-muonic-molecules-inclusion-of-the-electron-positive-muon-correlation-functional-2111.00475"/></url>
<url><loc>https://scifaro.com/en/abs/selective-recovery-of-critical-materials-in-supercritical-water-desalination-2111.00634</loc><lastmod>2021-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selective-recovery-of-critical-materials-in-supercritical-water-desalination-2111.00634"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selective-recovery-of-critical-materials-in-supercritical-water-desalination-2111.00634"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-driven-charge-migration-as-initial-step-in-the-dynamics-in-correlation-bands-2111.00760</loc><lastmod>2022-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-driven-charge-migration-as-initial-step-in-the-dynamics-in-correlation-bands-2111.00760"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-driven-charge-migration-as-initial-step-in-the-dynamics-in-correlation-bands-2111.00760"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-machine-learning-for-chemistry-and-physics-2111.00851</loc><lastmod>2022-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-machine-learning-for-chemistry-and-physics-2111.00851"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-machine-learning-for-chemistry-and-physics-2111.00851"/></url>
<url><loc>https://scifaro.com/en/abs/computational-investigation-on-the-thermodynamics-of-h2co-nh2-nh2cho-h-on-interstellar-water-ice-surfaces-2111.00904</loc><lastmod>2021-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-investigation-on-the-thermodynamics-of-h2co-nh2-nh2cho-h-on-interstellar-water-ice-surfaces-2111.00904"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-investigation-on-the-thermodynamics-of-h2co-nh2-nh2cho-h-on-interstellar-water-ice-surfaces-2111.00904"/></url>
<url><loc>https://scifaro.com/en/abs/rhodyn-a-rho-td-rasci-framework-to-study-ultrafast-electron-dynamics-in-molecules-2111.01114</loc><lastmod>2021-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rhodyn-a-rho-td-rasci-framework-to-study-ultrafast-electron-dynamics-in-molecules-2111.01114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rhodyn-a-rho-td-rasci-framework-to-study-ultrafast-electron-dynamics-in-molecules-2111.01114"/></url>
<url><loc>https://scifaro.com/en/abs/valorization-of-biodigestor-plant-waste-in-electrodes-for-supercapacitors-and-microbial-fuel-cells-2111.01434</loc><lastmod>2021-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/valorization-of-biodigestor-plant-waste-in-electrodes-for-supercapacitors-and-microbial-fuel-cells-2111.01434"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/valorization-of-biodigestor-plant-waste-in-electrodes-for-supercapacitors-and-microbial-fuel-cells-2111.01434"/></url>
<url><loc>https://scifaro.com/en/abs/ground-state-energy-of-quasi-free-positrons-in-non-polar-fluids-2111.01468</loc><lastmod>2021-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ground-state-energy-of-quasi-free-positrons-in-non-polar-fluids-2111.01468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ground-state-energy-of-quasi-free-positrons-in-non-polar-fluids-2111.01468"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-excitation-of-h-3-o-cations-by-para-h-2-improved-collisional-data-at-low-temperatures-2111.01477</loc><lastmod>2022-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-excitation-of-h-3-o-cations-by-para-h-2-improved-collisional-data-at-low-temperatures-2111.01477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-excitation-of-h-3-o-cations-by-para-h-2-improved-collisional-data-at-low-temperatures-2111.01477"/></url>
<url><loc>https://scifaro.com/en/abs/a-route-to-engineered-high-aspect-ratio-silicon-nanostructures-through-regenerative-secondary-mask-lithography-2111.01698</loc><lastmod>2022-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-route-to-engineered-high-aspect-ratio-silicon-nanostructures-through-regenerative-secondary-mask-lithography-2111.01698"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-route-to-engineered-high-aspect-ratio-silicon-nanostructures-through-regenerative-secondary-mask-lithography-2111.01698"/></url>
<url><loc>https://scifaro.com/en/abs/the-reactivity-of-methanimine-radical-cation-h-2-cnh-cdot-and-its-isomer-aminomethylene-hcnh-2-cdot-with-c-2-h-4-2111.01703</loc><lastmod>2021-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-reactivity-of-methanimine-radical-cation-h-2-cnh-cdot-and-its-isomer-aminomethylene-hcnh-2-cdot-with-c-2-h-4-2111.01703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-reactivity-of-methanimine-radical-cation-h-2-cnh-cdot-and-its-isomer-aminomethylene-hcnh-2-cdot-with-c-2-h-4-2111.01703"/></url>
<url><loc>https://scifaro.com/en/abs/rovibrational-specific-qct-and-master-equation-study-on-text-n-2-text-x-1-sigma-g-text-o-3-text-p-and-text-no-text-x-2-pi-text-n-4-text-s-systems-in-high-energy-collisions-2111.01751</loc><lastmod>2022-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rovibrational-specific-qct-and-master-equation-study-on-text-n-2-text-x-1-sigma-g-text-o-3-text-p-and-text-no-text-x-2-pi-text-n-4-text-s-systems-in-high-energy-collisions-2111.01751"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rovibrational-specific-qct-and-master-equation-study-on-text-n-2-text-x-1-sigma-g-text-o-3-text-p-and-text-no-text-x-2-pi-text-n-4-text-s-systems-in-high-energy-collisions-2111.01751"/></url>
<url><loc>https://scifaro.com/en/abs/a-time-and-cost-effective-method-for-entropic-coefficient-determination-of-a-large-commercial-battery-cell-2111.01776</loc><lastmod>2021-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-time-and-cost-effective-method-for-entropic-coefficient-determination-of-a-large-commercial-battery-cell-2111.01776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-time-and-cost-effective-method-for-entropic-coefficient-determination-of-a-large-commercial-battery-cell-2111.01776"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-and-computational-studies-on-the-reactivity-of-methanimine-radical-cation-h-2-cnh-cdot-and-its-isomer-aminomethylene-hcnh-2-cdot-with-c-2-h-2-2111.01794</loc><lastmod>2021-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-and-computational-studies-on-the-reactivity-of-methanimine-radical-cation-h-2-cnh-cdot-and-its-isomer-aminomethylene-hcnh-2-cdot-with-c-2-h-2-2111.01794"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-and-computational-studies-on-the-reactivity-of-methanimine-radical-cation-h-2-cnh-cdot-and-its-isomer-aminomethylene-hcnh-2-cdot-with-c-2-h-2-2111.01794"/></url>
<url><loc>https://scifaro.com/en/abs/photocatalytic-water-splitting-ability-of-fe-mgo-rgo-nanocomposites-towards-hydrogen-evolution-2111.01831</loc><lastmod>2022-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photocatalytic-water-splitting-ability-of-fe-mgo-rgo-nanocomposites-towards-hydrogen-evolution-2111.01831"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photocatalytic-water-splitting-ability-of-fe-mgo-rgo-nanocomposites-towards-hydrogen-evolution-2111.01831"/></url>
<url><loc>https://scifaro.com/en/abs/an-exchange-based-diagnostic-for-static-correlation-2111.01879</loc><lastmod>2022-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-exchange-based-diagnostic-for-static-correlation-2111.01879"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-exchange-based-diagnostic-for-static-correlation-2111.01879"/></url>
<url><loc>https://scifaro.com/en/abs/does-glpt2-offer-any-actual-benefit-over-conventional-hf-mp2-in-the-context-of-double-hybrid-density-functionals-2111.01880</loc><lastmod>2022-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/does-glpt2-offer-any-actual-benefit-over-conventional-hf-mp2-in-the-context-of-double-hybrid-density-functionals-2111.01880"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/does-glpt2-offer-any-actual-benefit-over-conventional-hf-mp2-in-the-context-of-double-hybrid-density-functionals-2111.01880"/></url>
<url><loc>https://scifaro.com/en/abs/the-s66-noncovalent-interaction-benchmark-re-examined-composite-localized-coupled-cluster-approaches-2111.01882</loc><lastmod>2022-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-s66-noncovalent-interaction-benchmark-re-examined-composite-localized-coupled-cluster-approaches-2111.01882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-s66-noncovalent-interaction-benchmark-re-examined-composite-localized-coupled-cluster-approaches-2111.01882"/></url>
<url><loc>https://scifaro.com/en/abs/audacity-of-huge-overcoming-challenges-of-data-scarcity-and-data-quality-for-machine-learning-in-computational-materials-discovery-2111.01905</loc><lastmod>2021-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/audacity-of-huge-overcoming-challenges-of-data-scarcity-and-data-quality-for-machine-learning-in-computational-materials-discovery-2111.01905"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/audacity-of-huge-overcoming-challenges-of-data-scarcity-and-data-quality-for-machine-learning-in-computational-materials-discovery-2111.01905"/></url>
<url><loc>https://scifaro.com/en/abs/liquid-nucleation-around-charged-particles-in-the-vapor-phase-2111.02255</loc><lastmod>2021-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/liquid-nucleation-around-charged-particles-in-the-vapor-phase-2111.02255"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/liquid-nucleation-around-charged-particles-in-the-vapor-phase-2111.02255"/></url>
<url><loc>https://scifaro.com/en/abs/applying-generalized-variational-principles-to-excited-state-specific-complete-active-space-self-consistent-field-theory-2111.02590</loc><lastmod>2022-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/applying-generalized-variational-principles-to-excited-state-specific-complete-active-space-self-consistent-field-theory-2111.02590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/applying-generalized-variational-principles-to-excited-state-specific-complete-active-space-self-consistent-field-theory-2111.02590"/></url>
<url><loc>https://scifaro.com/en/abs/electrical-conductances-and-association-constants-in-dilute-aqueous-ndcl-textsubscript-3-solutions-from-298-to-523-k-along-an-isobar-of-25-mpa-2111.02600</loc><lastmod>2022-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrical-conductances-and-association-constants-in-dilute-aqueous-ndcl-textsubscript-3-solutions-from-298-to-523-k-along-an-isobar-of-25-mpa-2111.02600"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrical-conductances-and-association-constants-in-dilute-aqueous-ndcl-textsubscript-3-solutions-from-298-to-523-k-along-an-isobar-of-25-mpa-2111.02600"/></url>
<url><loc>https://scifaro.com/en/abs/enabling-rapid-and-accurate-construction-of-ccsd-t-level-potential-energy-surface-of-large-molecules-using-molecular-tailoring-approach-2111.02628</loc><lastmod>2022-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enabling-rapid-and-accurate-construction-of-ccsd-t-level-potential-energy-surface-of-large-molecules-using-molecular-tailoring-approach-2111.02628"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enabling-rapid-and-accurate-construction-of-ccsd-t-level-potential-energy-surface-of-large-molecules-using-molecular-tailoring-approach-2111.02628"/></url>
<url><loc>https://scifaro.com/en/abs/localised-solid-state-nanopore-fabrication-via-controlled-breakdown-using-on-chip-electrodes-2111.02730</loc><lastmod>2022-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/localised-solid-state-nanopore-fabrication-via-controlled-breakdown-using-on-chip-electrodes-2111.02730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/localised-solid-state-nanopore-fabrication-via-controlled-breakdown-using-on-chip-electrodes-2111.02730"/></url>
<url><loc>https://scifaro.com/en/abs/microstructure-resolved-degradation-simulation-of-lithium-ion-batteries-in-space-applications-2111.02856</loc><lastmod>2022-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microstructure-resolved-degradation-simulation-of-lithium-ion-batteries-in-space-applications-2111.02856"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microstructure-resolved-degradation-simulation-of-lithium-ion-batteries-in-space-applications-2111.02856"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-product-state-distributions-from-initial-reactant-states-for-a-reactive-atom-diatom-collision-system-2111.03563</loc><lastmod>2023-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-product-state-distributions-from-initial-reactant-states-for-a-reactive-atom-diatom-collision-system-2111.03563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-product-state-distributions-from-initial-reactant-states-for-a-reactive-atom-diatom-collision-system-2111.03563"/></url>
<url><loc>https://scifaro.com/en/abs/coupling-lifetimes-and-strong-coupling-maps-for-single-molecules-at-plasmonic-interfaces-2111.03730</loc><lastmod>2022-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupling-lifetimes-and-strong-coupling-maps-for-single-molecules-at-plasmonic-interfaces-2111.03730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupling-lifetimes-and-strong-coupling-maps-for-single-molecules-at-plasmonic-interfaces-2111.03730"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-laser-induced-fluorescence-spectroscopy-of-28-si-16-o-and-29-si-16-o-in-a-cryogenic-buffer-gas-cell-2111.03832</loc><lastmod>2022-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-laser-induced-fluorescence-spectroscopy-of-28-si-16-o-and-29-si-16-o-in-a-cryogenic-buffer-gas-cell-2111.03832"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-laser-induced-fluorescence-spectroscopy-of-28-si-16-o-and-29-si-16-o-in-a-cryogenic-buffer-gas-cell-2111.03832"/></url>
<url><loc>https://scifaro.com/en/abs/cumulants-as-the-variables-of-density-cumulant-theory-a-path-to-hermitian-triples-2111.03954</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cumulants-as-the-variables-of-density-cumulant-theory-a-path-to-hermitian-triples-2111.03954"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cumulants-as-the-variables-of-density-cumulant-theory-a-path-to-hermitian-triples-2111.03954"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-impedance-of-oxygen-transport-in-the-channel-and-gas-diffusion-layer-of-a-pem-fuel-cell-2111.04024</loc><lastmod>2021-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-impedance-of-oxygen-transport-in-the-channel-and-gas-diffusion-layer-of-a-pem-fuel-cell-2111.04024"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-impedance-of-oxygen-transport-in-the-channel-and-gas-diffusion-layer-of-a-pem-fuel-cell-2111.04024"/></url>
<url><loc>https://scifaro.com/en/abs/a-correctly-scaling-rigorously-spin-adapted-and-spin-complete-open-shell-ccsd-implementation-for-arbitrary-high-spin-states-2111.04186</loc><lastmod>2022-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-correctly-scaling-rigorously-spin-adapted-and-spin-complete-open-shell-ccsd-implementation-for-arbitrary-high-spin-states-2111.04186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-correctly-scaling-rigorously-spin-adapted-and-spin-complete-open-shell-ccsd-implementation-for-arbitrary-high-spin-states-2111.04186"/></url>
<url><loc>https://scifaro.com/en/abs/learning-dipole-moments-and-polarizabilities-2111.04306</loc><lastmod>2021-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-dipole-moments-and-polarizabilities-2111.04306"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-dipole-moments-and-polarizabilities-2111.04306"/></url>
<url><loc>https://scifaro.com/en/abs/a-partially-linearized-spin-mapping-approach-for-simulating-nonlinear-optical-spectra-2111.04386</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-partially-linearized-spin-mapping-approach-for-simulating-nonlinear-optical-spectra-2111.04386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-partially-linearized-spin-mapping-approach-for-simulating-nonlinear-optical-spectra-2111.04386"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-polymers-on-the-nucleation-of-calcium-silicate-hydrates-2111.04445</loc><lastmod>2023-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-polymers-on-the-nucleation-of-calcium-silicate-hydrates-2111.04445"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-polymers-on-the-nucleation-of-calcium-silicate-hydrates-2111.04445"/></url>
<url><loc>https://scifaro.com/en/abs/the-mobh35-metal-organic-barrier-heights-reconsidered-performance-of-local-orbital-coupled-cluster-approaches-in-different-static-correlation-regimes-2111.04777</loc><lastmod>2022-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-mobh35-metal-organic-barrier-heights-reconsidered-performance-of-local-orbital-coupled-cluster-approaches-in-different-static-correlation-regimes-2111.04777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-mobh35-metal-organic-barrier-heights-reconsidered-performance-of-local-orbital-coupled-cluster-approaches-in-different-static-correlation-regimes-2111.04777"/></url>
<url><loc>https://scifaro.com/en/abs/bridging-atomistic-simulations-and-thermodynamic-hydration-models-of-aqueous-electrolyte-solutions-2111.04848</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bridging-atomistic-simulations-and-thermodynamic-hydration-models-of-aqueous-electrolyte-solutions-2111.04848"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bridging-atomistic-simulations-and-thermodynamic-hydration-models-of-aqueous-electrolyte-solutions-2111.04848"/></url>
<url><loc>https://scifaro.com/en/abs/towards-detection-of-the-molecular-parity-violation-in-chiral-ru-acac-3-and-os-acac-3-2111.05036</loc><lastmod>2022-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-detection-of-the-molecular-parity-violation-in-chiral-ru-acac-3-and-os-acac-3-2111.05036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-detection-of-the-molecular-parity-violation-in-chiral-ru-acac-3-and-os-acac-3-2111.05036"/></url>
<url><loc>https://scifaro.com/en/abs/gluconate-and-hexitols-effects-on-c-s-h-solubility-2111.05152</loc><lastmod>2022-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gluconate-and-hexitols-effects-on-c-s-h-solubility-2111.05152"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gluconate-and-hexitols-effects-on-c-s-h-solubility-2111.05152"/></url>
<url><loc>https://scifaro.com/en/abs/solvent-effects-on-the-menshutkin-reaction-2111.05244</loc><lastmod>2021-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvent-effects-on-the-menshutkin-reaction-2111.05244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvent-effects-on-the-menshutkin-reaction-2111.05244"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-extent-or-advancement-of-the-reaction-a-new-general-definition-2111.05253</loc><lastmod>2023-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-extent-or-advancement-of-the-reaction-a-new-general-definition-2111.05253"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-extent-or-advancement-of-the-reaction-a-new-general-definition-2111.05253"/></url>
<url><loc>https://scifaro.com/en/abs/sulfonylamide-based-ionic-liquids-for-high-voltage-potassium-ion-batteries-with-honeycomb-layered-cathode-oxides-2111.05314</loc><lastmod>2021-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sulfonylamide-based-ionic-liquids-for-high-voltage-potassium-ion-batteries-with-honeycomb-layered-cathode-oxides-2111.05314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sulfonylamide-based-ionic-liquids-for-high-voltage-potassium-ion-batteries-with-honeycomb-layered-cathode-oxides-2111.05314"/></url>
<url><loc>https://scifaro.com/en/abs/a-systematic-study-of-the-valence-electronic-structure-of-cyclo-gly-phe-cyclo-trp-tyr-and-cyclo-trp-trp-dipeptides-in-gas-phase-2111.05797</loc><lastmod>2021-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-systematic-study-of-the-valence-electronic-structure-of-cyclo-gly-phe-cyclo-trp-tyr-and-cyclo-trp-trp-dipeptides-in-gas-phase-2111.05797"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-systematic-study-of-the-valence-electronic-structure-of-cyclo-gly-phe-cyclo-trp-tyr-and-cyclo-trp-trp-dipeptides-in-gas-phase-2111.05797"/></url>
<url><loc>https://scifaro.com/en/abs/autobiography-of-yoshitaka-tanimura-2111.06093</loc><lastmod>2021-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autobiography-of-yoshitaka-tanimura-2111.06093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autobiography-of-yoshitaka-tanimura-2111.06093"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-autoignition-characteristics-a-framework-to-discover-fuel-additives-and-making-predictions-using-machine-learning-2111.06096</loc><lastmod>2021-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-autoignition-characteristics-a-framework-to-discover-fuel-additives-and-making-predictions-using-machine-learning-2111.06096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-autoignition-characteristics-a-framework-to-discover-fuel-additives-and-making-predictions-using-machine-learning-2111.06096"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-theory-for-the-ground-and-excited-states-of-two-dimensional-quantum-dots-2111.06203</loc><lastmod>2022-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-theory-for-the-ground-and-excited-states-of-two-dimensional-quantum-dots-2111.06203"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-theory-for-the-ground-and-excited-states-of-two-dimensional-quantum-dots-2111.06203"/></url>
<url><loc>https://scifaro.com/en/abs/a-fully-anisotropic-formulation-of-stochastic-cell-rescaling-2111.06402</loc><lastmod>2021-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-fully-anisotropic-formulation-of-stochastic-cell-rescaling-2111.06402"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-fully-anisotropic-formulation-of-stochastic-cell-rescaling-2111.06402"/></url>
<url><loc>https://scifaro.com/en/abs/excitons-energetics-and-spatio-temporal-dynamics-2111.06460</loc><lastmod>2026-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitons-energetics-and-spatio-temporal-dynamics-2111.06460"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitons-energetics-and-spatio-temporal-dynamics-2111.06460"/></url>
<url><loc>https://scifaro.com/en/abs/towards-large-scale-restricted-active-space-calculations-inspired-by-the-schmidt-decomposition-2111.06665</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-large-scale-restricted-active-space-calculations-inspired-by-the-schmidt-decomposition-2111.06665"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-large-scale-restricted-active-space-calculations-inspired-by-the-schmidt-decomposition-2111.06665"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-and-efficient-lattice-summation-method-for-metallic-electrodes-in-constant-potential-molecular-dynamics-simulation-2111.06704</loc><lastmod>2022-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-and-efficient-lattice-summation-method-for-metallic-electrodes-in-constant-potential-molecular-dynamics-simulation-2111.06704"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-and-efficient-lattice-summation-method-for-metallic-electrodes-in-constant-potential-molecular-dynamics-simulation-2111.06704"/></url>
<url><loc>https://scifaro.com/en/abs/spin-orbit-coupling-matrix-elements-from-the-explicitly-connected-expressions-of-the-response-functions-within-the-coupled-cluster-theory-2111.06802</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-orbit-coupling-matrix-elements-from-the-explicitly-connected-expressions-of-the-response-functions-within-the-coupled-cluster-theory-2111.06802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-orbit-coupling-matrix-elements-from-the-explicitly-connected-expressions-of-the-response-functions-within-the-coupled-cluster-theory-2111.06802"/></url>
<url><loc>https://scifaro.com/en/abs/direct-production-of-a-hyperpolarized-metabolite-on-a-microfluidic-chip-2111.06816</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-production-of-a-hyperpolarized-metabolite-on-a-microfluidic-chip-2111.06816"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-production-of-a-hyperpolarized-metabolite-on-a-microfluidic-chip-2111.06816"/></url>
<url><loc>https://scifaro.com/en/abs/a-promising-intersection-of-excited-state-specific-methods-from-quantum-chemistry-and-quantum-monte-carlo-2111.07221</loc><lastmod>2023-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-promising-intersection-of-excited-state-specific-methods-from-quantum-chemistry-and-quantum-monte-carlo-2111.07221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-promising-intersection-of-excited-state-specific-methods-from-quantum-chemistry-and-quantum-monte-carlo-2111.07221"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-gradient-theory-for-spin-free-state-averaged-second-order-driven-similarity-renormalization-group-perturbation-theory-sa-dsrg-mrpt2-and-its-applications-for-conical-intersection-optimizations-2111.07253</loc><lastmod>2022-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-gradient-theory-for-spin-free-state-averaged-second-order-driven-similarity-renormalization-group-perturbation-theory-sa-dsrg-mrpt2-and-its-applications-for-conical-intersection-optimizations-2111.07253"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-gradient-theory-for-spin-free-state-averaged-second-order-driven-similarity-renormalization-group-perturbation-theory-sa-dsrg-mrpt2-and-its-applications-for-conical-intersection-optimizations-2111.07253"/></url>
<url><loc>https://scifaro.com/en/abs/equation-of-motion-cavity-quantum-electrodynamics-coupled-cluster-theory-for-electron-attachment-2111.08058</loc><lastmod>2022-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equation-of-motion-cavity-quantum-electrodynamics-coupled-cluster-theory-for-electron-attachment-2111.08058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equation-of-motion-cavity-quantum-electrodynamics-coupled-cluster-theory-for-electron-attachment-2111.08058"/></url>
<url><loc>https://scifaro.com/en/abs/chemistry-beyond-the-hartree-fock-limit-via-quantum-computed-moments-2111.08132</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemistry-beyond-the-hartree-fock-limit-via-quantum-computed-moments-2111.08132"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemistry-beyond-the-hartree-fock-limit-via-quantum-computed-moments-2111.08132"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-use-of-stereodynamical-effects-to-control-cold-chemical-reactions-the-h-d-2-longleftrightarrow-d-hd-case-study-2111.08155</loc><lastmod>2022-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-use-of-stereodynamical-effects-to-control-cold-chemical-reactions-the-h-d-2-longleftrightarrow-d-hd-case-study-2111.08155"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-use-of-stereodynamical-effects-to-control-cold-chemical-reactions-the-h-d-2-longleftrightarrow-d-hd-case-study-2111.08155"/></url>
<url><loc>https://scifaro.com/en/abs/self-healing-behavior-of-ice-2111.08367</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-healing-behavior-of-ice-2111.08367"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-healing-behavior-of-ice-2111.08367"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-orbital-optimized-density-functional-theory-for-accurate-core-level-spectroscopy-2111.08405</loc><lastmod>2022-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-orbital-optimized-density-functional-theory-for-accurate-core-level-spectroscopy-2111.08405"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-orbital-optimized-density-functional-theory-for-accurate-core-level-spectroscopy-2111.08405"/></url>
<url><loc>https://scifaro.com/en/abs/exomol-molecular-line-lists-xliii-rovibronic-molecular-line-list-the-low-lying-two-states-of-nao-2111.08424</loc><lastmod>2022-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exomol-molecular-line-lists-xliii-rovibronic-molecular-line-list-the-low-lying-two-states-of-nao-2111.08424"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exomol-molecular-line-lists-xliii-rovibronic-molecular-line-list-the-low-lying-two-states-of-nao-2111.08424"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-characterization-of-fragmentation-in-ionic-liquid-clusters-2111.08448</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-characterization-of-fragmentation-in-ionic-liquid-clusters-2111.08448"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-characterization-of-fragmentation-in-ionic-liquid-clusters-2111.08448"/></url>
<url><loc>https://scifaro.com/en/abs/gas-phase-spectroscopy-of-photostable-pah-ions-from-the-mid-to-far-infrared-2111.08592</loc><lastmod>2022-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gas-phase-spectroscopy-of-photostable-pah-ions-from-the-mid-to-far-infrared-2111.08592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gas-phase-spectroscopy-of-photostable-pah-ions-from-the-mid-to-far-infrared-2111.08592"/></url>
<url><loc>https://scifaro.com/en/abs/a-complex-gaussian-approach-to-molecular-photoionization-2111.08637</loc><lastmod>2021-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-complex-gaussian-approach-to-molecular-photoionization-2111.08637"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-complex-gaussian-approach-to-molecular-photoionization-2111.08637"/></url>
<url><loc>https://scifaro.com/en/abs/libsc-library-for-scaling-correction-methods-in-density-functional-theory-2111.08786</loc><lastmod>2021-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/libsc-library-for-scaling-correction-methods-in-density-functional-theory-2111.08786"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/libsc-library-for-scaling-correction-methods-in-density-functional-theory-2111.08786"/></url>
<url><loc>https://scifaro.com/en/abs/are-heptazine-based-organic-light-emitting-diode-oled-chromophores-thermally-activated-delayed-fluorescence-tadf-or-inverted-singlet-triplet-ist-systems-2111.08987</loc><lastmod>2021-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/are-heptazine-based-organic-light-emitting-diode-oled-chromophores-thermally-activated-delayed-fluorescence-tadf-or-inverted-singlet-triplet-ist-systems-2111.08987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/are-heptazine-based-organic-light-emitting-diode-oled-chromophores-thermally-activated-delayed-fluorescence-tadf-or-inverted-singlet-triplet-ist-systems-2111.08987"/></url>
<url><loc>https://scifaro.com/en/abs/real-time-feedback-driven-single-particle-tracking-a-survey-and-perspective-2111.09178</loc><lastmod>2022-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-time-feedback-driven-single-particle-tracking-a-survey-and-perspective-2111.09178"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-time-feedback-driven-single-particle-tracking-a-survey-and-perspective-2111.09178"/></url>
<url><loc>https://scifaro.com/en/abs/interpreting-nmr-dynamic-parameters-via-the-separation-of-reorientational-motion-in-md-simulation-2111.09224</loc><lastmod>2021-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpreting-nmr-dynamic-parameters-via-the-separation-of-reorientational-motion-in-md-simulation-2111.09224"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpreting-nmr-dynamic-parameters-via-the-separation-of-reorientational-motion-in-md-simulation-2111.09224"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-properties-of-co-diatomic-molecule-in-the-presence-of-energy-slope-parameter-esp-2111.09355</loc><lastmod>2021-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-properties-of-co-diatomic-molecule-in-the-presence-of-energy-slope-parameter-esp-2111.09355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-properties-of-co-diatomic-molecule-in-the-presence-of-energy-slope-parameter-esp-2111.09355"/></url>
<url><loc>https://scifaro.com/en/abs/spin-chemistry-concepts-for-spintronics-scientists-2111.09596</loc><lastmod>2021-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-chemistry-concepts-for-spintronics-scientists-2111.09596"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-chemistry-concepts-for-spintronics-scientists-2111.09596"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-geometric-potential-and-the-relationship-between-the-exact-electron-factorization-and-density-functional-theory-2111.09620</loc><lastmod>2022-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-geometric-potential-and-the-relationship-between-the-exact-electron-factorization-and-density-functional-theory-2111.09620"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-geometric-potential-and-the-relationship-between-the-exact-electron-factorization-and-density-functional-theory-2111.09620"/></url>
<url><loc>https://scifaro.com/en/abs/reference-excitation-energies-of-increasingly-large-molecules-a-qmc-study-of-cyanine-dyes-2111.09640</loc><lastmod>2021-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reference-excitation-energies-of-increasingly-large-molecules-a-qmc-study-of-cyanine-dyes-2111.09640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reference-excitation-energies-of-increasingly-large-molecules-a-qmc-study-of-cyanine-dyes-2111.09640"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-calculation-of-the-berry-curvature-and-diagonal-born-oppenheimer-correction-for-molecular-systems-in-uniform-magnetic-fields-2111.10251</loc><lastmod>2022-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-calculation-of-the-berry-curvature-and-diagonal-born-oppenheimer-correction-for-molecular-systems-in-uniform-magnetic-fields-2111.10251"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-calculation-of-the-berry-curvature-and-diagonal-born-oppenheimer-correction-for-molecular-systems-in-uniform-magnetic-fields-2111.10251"/></url>
<url><loc>https://scifaro.com/en/abs/singlet-triplet-pair-production-and-possible-singlet-fission-in-carotenoids-2111.10284</loc><lastmod>2021-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/singlet-triplet-pair-production-and-possible-singlet-fission-in-carotenoids-2111.10284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/singlet-triplet-pair-production-and-possible-singlet-fission-in-carotenoids-2111.10284"/></url>
<url><loc>https://scifaro.com/en/abs/ammonium-phosphonium-and-sulfonium-based-2-cyanopyrrolidines-for-carbon-dioxide-fixation-2111.10792</loc><lastmod>2022-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ammonium-phosphonium-and-sulfonium-based-2-cyanopyrrolidines-for-carbon-dioxide-fixation-2111.10792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ammonium-phosphonium-and-sulfonium-based-2-cyanopyrrolidines-for-carbon-dioxide-fixation-2111.10792"/></url>
<url><loc>https://scifaro.com/en/abs/a-hierarchical-levitating-cluster-containing-transforming-small-aggregates-of-water-droplets-2111.11427</loc><lastmod>2021-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-hierarchical-levitating-cluster-containing-transforming-small-aggregates-of-water-droplets-2111.11427"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-hierarchical-levitating-cluster-containing-transforming-small-aggregates-of-water-droplets-2111.11427"/></url>
<url><loc>https://scifaro.com/en/abs/rank-reduced-coupled-cluster-iii-tensor-hypercontraction-of-the-doubles-amplitudes-2111.11473</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rank-reduced-coupled-cluster-iii-tensor-hypercontraction-of-the-doubles-amplitudes-2111.11473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rank-reduced-coupled-cluster-iii-tensor-hypercontraction-of-the-doubles-amplitudes-2111.11473"/></url>
<url><loc>https://scifaro.com/en/abs/fast-quasi-centroid-molecular-dynamics-2111.11572</loc><lastmod>2021-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-quasi-centroid-molecular-dynamics-2111.11572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-quasi-centroid-molecular-dynamics-2111.11572"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-orbital-theory-in-cavity-qed-environments-2111.11829</loc><lastmod>2022-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-orbital-theory-in-cavity-qed-environments-2111.11829"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-orbital-theory-in-cavity-qed-environments-2111.11829"/></url>
<url><loc>https://scifaro.com/en/abs/resolving-competing-conical-intersection-pathways-time-resolved-x-ray-absorption-spectroscopy-of-trans-1-3-butadiene-2111.12065</loc><lastmod>2022-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resolving-competing-conical-intersection-pathways-time-resolved-x-ray-absorption-spectroscopy-of-trans-1-3-butadiene-2111.12065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resolving-competing-conical-intersection-pathways-time-resolved-x-ray-absorption-spectroscopy-of-trans-1-3-butadiene-2111.12065"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-analysis-of-submicron-x-ray-tomography-data-on-polymer-imbibition-into-arrays-of-cylindrical-nanopores-2111.12192</loc><lastmod>2021-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-analysis-of-submicron-x-ray-tomography-data-on-polymer-imbibition-into-arrays-of-cylindrical-nanopores-2111.12192"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-analysis-of-submicron-x-ray-tomography-data-on-polymer-imbibition-into-arrays-of-cylindrical-nanopores-2111.12192"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-harmonic-free-energies-for-biomolecules-and-nanomaterials-2111.12200</loc><lastmod>2023-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-harmonic-free-energies-for-biomolecules-and-nanomaterials-2111.12200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-harmonic-free-energies-for-biomolecules-and-nanomaterials-2111.12200"/></url>
<url><loc>https://scifaro.com/en/abs/a-comparison-of-partial-atomic-charges-for-electronically-excited-states-2111.12208</loc><lastmod>2022-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comparison-of-partial-atomic-charges-for-electronically-excited-states-2111.12208"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comparison-of-partial-atomic-charges-for-electronically-excited-states-2111.12208"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-hydrogels-for-applications-to-atmospheric-water-harvesting-evaporation-and-desalination-2111.12543</loc><lastmod>2022-01-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-hydrogels-for-applications-to-atmospheric-water-harvesting-evaporation-and-desalination-2111.12543"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-hydrogels-for-applications-to-atmospheric-water-harvesting-evaporation-and-desalination-2111.12543"/></url>
<url><loc>https://scifaro.com/en/abs/donnan-equilibrium-revisited-coupling-between-ion-concentrations-osmotic-pressure-and-donnan-potential-2111.12565</loc><lastmod>2021-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/donnan-equilibrium-revisited-coupling-between-ion-concentrations-osmotic-pressure-and-donnan-potential-2111.12565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/donnan-equilibrium-revisited-coupling-between-ion-concentrations-osmotic-pressure-and-donnan-potential-2111.12565"/></url>
<url><loc>https://scifaro.com/en/abs/polariton-relaxation-under-vibrational-strong-coupling-comparing-cavity-molecular-dynamics-simulations-against-fermi-s-golden-rule-rate-2111.12770</loc><lastmod>2022-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polariton-relaxation-under-vibrational-strong-coupling-comparing-cavity-molecular-dynamics-simulations-against-fermi-s-golden-rule-rate-2111.12770"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polariton-relaxation-under-vibrational-strong-coupling-comparing-cavity-molecular-dynamics-simulations-against-fermi-s-golden-rule-rate-2111.12770"/></url>
<url><loc>https://scifaro.com/en/abs/incorporating-nuclear-quantum-effects-in-molecular-dynamics-with-a-constrained-minimized-energy-surface-2111.12832</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/incorporating-nuclear-quantum-effects-in-molecular-dynamics-with-a-constrained-minimized-energy-surface-2111.12832"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/incorporating-nuclear-quantum-effects-in-molecular-dynamics-with-a-constrained-minimized-energy-surface-2111.12832"/></url>
<url><loc>https://scifaro.com/en/abs/gradient-expansions-for-the-large-coupling-strength-limit-of-the-m-o-ller-plesset-adiabatic-connection-2111.13146</loc><lastmod>2022-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gradient-expansions-for-the-large-coupling-strength-limit-of-the-m-o-ller-plesset-adiabatic-connection-2111.13146"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gradient-expansions-for-the-large-coupling-strength-limit-of-the-m-o-ller-plesset-adiabatic-connection-2111.13146"/></url>
<url><loc>https://scifaro.com/en/abs/testing-the-quasicentroid-molecular-dynamics-method-on-gas-phase-ammonia-2111.13210</loc><lastmod>2021-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/testing-the-quasicentroid-molecular-dynamics-method-on-gas-phase-ammonia-2111.13210"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/testing-the-quasicentroid-molecular-dynamics-method-on-gas-phase-ammonia-2111.13210"/></url>
<url><loc>https://scifaro.com/en/abs/distribution-of-first-reaction-times-with-target-regions-on-boundaries-of-shell-like-domains-2111.13444</loc><lastmod>2022-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/distribution-of-first-reaction-times-with-target-regions-on-boundaries-of-shell-like-domains-2111.13444"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/distribution-of-first-reaction-times-with-target-regions-on-boundaries-of-shell-like-domains-2111.13444"/></url>
<url><loc>https://scifaro.com/en/abs/nonrelativistic-energy-of-tritium-containing-hydrogen-molecule-isotopologues-2111.13512</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonrelativistic-energy-of-tritium-containing-hydrogen-molecule-isotopologues-2111.13512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonrelativistic-energy-of-tritium-containing-hydrogen-molecule-isotopologues-2111.13512"/></url>
<url><loc>https://scifaro.com/en/abs/new-opportunities-for-ultrafast-and-highly-enantio-sensitive-imaging-and-control-of-chiral-nuclear-dynamics-towards-enantio-selective-attochemistry-2111.13671</loc><lastmod>2022-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-opportunities-for-ultrafast-and-highly-enantio-sensitive-imaging-and-control-of-chiral-nuclear-dynamics-towards-enantio-selective-attochemistry-2111.13671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-opportunities-for-ultrafast-and-highly-enantio-sensitive-imaging-and-control-of-chiral-nuclear-dynamics-towards-enantio-selective-attochemistry-2111.13671"/></url>
<url><loc>https://scifaro.com/en/abs/addressing-strong-correlation-by-approximate-coupled-pair-methods-with-active-space-and-full-treatments-of-three-body-clusters-2111.13787</loc><lastmod>2025-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/addressing-strong-correlation-by-approximate-coupled-pair-methods-with-active-space-and-full-treatments-of-three-body-clusters-2111.13787"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/addressing-strong-correlation-by-approximate-coupled-pair-methods-with-active-space-and-full-treatments-of-three-body-clusters-2111.13787"/></url>
<url><loc>https://scifaro.com/en/abs/predictive-simulations-of-core-electron-binding-energies-of-halogenated-species-adsorbed-on-ice-surfaces-from-relativistic-quantum-embedding-calculations-2111.13909</loc><lastmod>2023-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predictive-simulations-of-core-electron-binding-energies-of-halogenated-species-adsorbed-on-ice-surfaces-from-relativistic-quantum-embedding-calculations-2111.13909"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predictive-simulations-of-core-electron-binding-energies-of-halogenated-species-adsorbed-on-ice-surfaces-from-relativistic-quantum-embedding-calculations-2111.13909"/></url>
<url><loc>https://scifaro.com/en/abs/environment-effects-on-x-ray-absorption-spectra-with-quantum-embedded-real-time-time-dependent-density-functional-theory-approaches-2111.13947</loc><lastmod>2022-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/environment-effects-on-x-ray-absorption-spectra-with-quantum-embedded-real-time-time-dependent-density-functional-theory-approaches-2111.13947"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/environment-effects-on-x-ray-absorption-spectra-with-quantum-embedded-real-time-time-dependent-density-functional-theory-approaches-2111.13947"/></url>
<url><loc>https://scifaro.com/en/abs/premelting-layer-during-ice-growth-role-of-clusters-2111.14146</loc><lastmod>2022-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/premelting-layer-during-ice-growth-role-of-clusters-2111.14146"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/premelting-layer-during-ice-growth-role-of-clusters-2111.14146"/></url>
<url><loc>https://scifaro.com/en/abs/valence-shell-photoelectron-circular-dichroism-of-ruthenium-iii-tris-acetylacetonato-gas-phase-enantiomers-2111.14408</loc><lastmod>2021-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/valence-shell-photoelectron-circular-dichroism-of-ruthenium-iii-tris-acetylacetonato-gas-phase-enantiomers-2111.14408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/valence-shell-photoelectron-circular-dichroism-of-ruthenium-iii-tris-acetylacetonato-gas-phase-enantiomers-2111.14408"/></url>
<url><loc>https://scifaro.com/en/abs/bragg-s-additivity-rule-and-core-and-bond-model-studied-by-real-time-tddft-electronic-stopping-simulations-the-case-of-water-vapor-2111.14572</loc><lastmod>2022-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bragg-s-additivity-rule-and-core-and-bond-model-studied-by-real-time-tddft-electronic-stopping-simulations-the-case-of-water-vapor-2111.14572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bragg-s-additivity-rule-and-core-and-bond-model-studied-by-real-time-tddft-electronic-stopping-simulations-the-case-of-water-vapor-2111.14572"/></url>
<url><loc>https://scifaro.com/en/abs/linear-free-energy-relationships-in-electrostatic-catalysis-2111.14978</loc><lastmod>2021-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-free-energy-relationships-in-electrostatic-catalysis-2111.14978"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-free-energy-relationships-in-electrostatic-catalysis-2111.14978"/></url>
<url><loc>https://scifaro.com/en/abs/legendre-fenchel-transforms-capture-layering-transitions-in-porous-media-2111.15253</loc><lastmod>2021-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/legendre-fenchel-transforms-capture-layering-transitions-in-porous-media-2111.15253"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/legendre-fenchel-transforms-capture-layering-transitions-in-porous-media-2111.15253"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-radiative-cooling-of-carbon-cluster-cations-c-n-n-9-11-12-17-27-2111.15370</loc><lastmod>2022-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-radiative-cooling-of-carbon-cluster-cations-c-n-n-9-11-12-17-27-2111.15370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-radiative-cooling-of-carbon-cluster-cations-c-n-n-9-11-12-17-27-2111.15370"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-the-performances-of-caspt2-and-nevpt2-for-vertical-excitation-energies-2111.15386</loc><lastmod>2022-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-the-performances-of-caspt2-and-nevpt2-for-vertical-excitation-energies-2111.15386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-the-performances-of-caspt2-and-nevpt2-for-vertical-excitation-energies-2111.15386"/></url>
<url><loc>https://scifaro.com/en/abs/the-generalized-occupation-restricted-multiple-active-space-concept-in-multiconfigurational-self-consistent-field-methods-2111.15587</loc><lastmod>2021-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-generalized-occupation-restricted-multiple-active-space-concept-in-multiconfigurational-self-consistent-field-methods-2111.15587"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-generalized-occupation-restricted-multiple-active-space-concept-in-multiconfigurational-self-consistent-field-methods-2111.15587"/></url>
<url><loc>https://scifaro.com/en/abs/multireference-density-functional-theory-for-describing-ground-and-excited-states-with-renormalized-singles-2111.15654</loc><lastmod>2022-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multireference-density-functional-theory-for-describing-ground-and-excited-states-with-renormalized-singles-2111.15654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multireference-density-functional-theory-for-describing-ground-and-excited-states-with-renormalized-singles-2111.15654"/></url>
<url><loc>https://scifaro.com/en/abs/pulse-induced-resonance-with-angular-dependent-total-enhancement-of-multi-dimensional-solid-state-nmr-correlation-spectra-2112.00438</loc><lastmod>2022-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pulse-induced-resonance-with-angular-dependent-total-enhancement-of-multi-dimensional-solid-state-nmr-correlation-spectra-2112.00438"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pulse-induced-resonance-with-angular-dependent-total-enhancement-of-multi-dimensional-solid-state-nmr-correlation-spectra-2112.00438"/></url>
<url><loc>https://scifaro.com/en/abs/energy-redistribution-following-co-2-formation-on-cold-amorphous-solid-water-2112.00482</loc><lastmod>2021-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-redistribution-following-co-2-formation-on-cold-amorphous-solid-water-2112.00482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-redistribution-following-co-2-formation-on-cold-amorphous-solid-water-2112.00482"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-x-ray-photoelectron-spectra-with-strong-electron-correlation-using-multireference-algebraic-diagrammatic-construction-theory-2112.00505</loc><lastmod>2022-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-x-ray-photoelectron-spectra-with-strong-electron-correlation-using-multireference-algebraic-diagrammatic-construction-theory-2112.00505"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-x-ray-photoelectron-spectra-with-strong-electron-correlation-using-multireference-algebraic-diagrammatic-construction-theory-2112.00505"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-diffusion-kinetics-of-honeycomb-structured-na-2-ni-2-teo-6-as-a-high-potential-and-stable-electrode-for-sodium-ion-batteries-2112.00536</loc><lastmod>2021-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-diffusion-kinetics-of-honeycomb-structured-na-2-ni-2-teo-6-as-a-high-potential-and-stable-electrode-for-sodium-ion-batteries-2112.00536"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-diffusion-kinetics-of-honeycomb-structured-na-2-ni-2-teo-6-as-a-high-potential-and-stable-electrode-for-sodium-ion-batteries-2112.00536"/></url>
<url><loc>https://scifaro.com/en/abs/cross-correlated-motions-in-azidolysozyme-2112.00606</loc><lastmod>2021-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cross-correlated-motions-in-azidolysozyme-2112.00606"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cross-correlated-motions-in-azidolysozyme-2112.00606"/></url>
<url><loc>https://scifaro.com/en/abs/proton-dynamics-in-water-confined-at-the-interface-of-the-graphene-mxene-heterostructure-2112.00689</loc><lastmod>2022-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proton-dynamics-in-water-confined-at-the-interface-of-the-graphene-mxene-heterostructure-2112.00689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proton-dynamics-in-water-confined-at-the-interface-of-the-graphene-mxene-heterostructure-2112.00689"/></url>
<url><loc>https://scifaro.com/en/abs/surfactant-free-synthesis-of-spiky-hollow-ag-au-nanostars-with-chemically-exposed-surfaces-for-enhanced-catalysis-and-single-particle-sers-2112.01089</loc><lastmod>2021-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surfactant-free-synthesis-of-spiky-hollow-ag-au-nanostars-with-chemically-exposed-surfaces-for-enhanced-catalysis-and-single-particle-sers-2112.01089"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surfactant-free-synthesis-of-spiky-hollow-ag-au-nanostars-with-chemically-exposed-surfaces-for-enhanced-catalysis-and-single-particle-sers-2112.01089"/></url>
<url><loc>https://scifaro.com/en/abs/graph-self-supervised-learning-for-optoelectronic-properties-of-organic-semiconductors-2112.01633</loc><lastmod>2021-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graph-self-supervised-learning-for-optoelectronic-properties-of-organic-semiconductors-2112.01633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graph-self-supervised-learning-for-optoelectronic-properties-of-organic-semiconductors-2112.01633"/></url>
<url><loc>https://scifaro.com/en/abs/permutationally-invariant-polynomial-regression-for-energies-and-gradients-using-reverse-differentiation-achieves-orders-of-magnitude-speed-up-with-high-precision-compared-to-other-machine-learning-methods-2112.01734</loc><lastmod>2024-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/permutationally-invariant-polynomial-regression-for-energies-and-gradients-using-reverse-differentiation-achieves-orders-of-magnitude-speed-up-with-high-precision-compared-to-other-machine-learning-methods-2112.01734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/permutationally-invariant-polynomial-regression-for-energies-and-gradients-using-reverse-differentiation-achieves-orders-of-magnitude-speed-up-with-high-precision-compared-to-other-machine-learning-methods-2112.01734"/></url>
<url><loc>https://scifaro.com/en/abs/reann-a-pytorch-based-end-to-end-multi-functional-deep-neural-network-package-for-molecular-reactive-and-periodic-systems-2112.01774</loc><lastmod>2022-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reann-a-pytorch-based-end-to-end-multi-functional-deep-neural-network-package-for-molecular-reactive-and-periodic-systems-2112.01774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reann-a-pytorch-based-end-to-end-multi-functional-deep-neural-network-package-for-molecular-reactive-and-periodic-systems-2112.01774"/></url>
<url><loc>https://scifaro.com/en/abs/ephemeral-ice-like-local-environments-in-classical-rigid-models-of-liquid-water-2112.02022</loc><lastmod>2022-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ephemeral-ice-like-local-environments-in-classical-rigid-models-of-liquid-water-2112.02022"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ephemeral-ice-like-local-environments-in-classical-rigid-models-of-liquid-water-2112.02022"/></url>
<url><loc>https://scifaro.com/en/abs/lithium-ion-battery-degradation-how-to-model-it-2112.02037</loc><lastmod>2022-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lithium-ion-battery-degradation-how-to-model-it-2112.02037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lithium-ion-battery-degradation-how-to-model-it-2112.02037"/></url>
<url><loc>https://scifaro.com/en/abs/global-natural-orbital-functional-towards-the-complete-description-of-the-electron-correlation-2112.02119</loc><lastmod>2021-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/global-natural-orbital-functional-towards-the-complete-description-of-the-electron-correlation-2112.02119"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/global-natural-orbital-functional-towards-the-complete-description-of-the-electron-correlation-2112.02119"/></url>
<url><loc>https://scifaro.com/en/abs/cavity-modulated-proton-transfer-reactions-2112.02138</loc><lastmod>2021-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cavity-modulated-proton-transfer-reactions-2112.02138"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cavity-modulated-proton-transfer-reactions-2112.02138"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-the-coherent-propagation-of-organic-exciton-polaritons-through-dark-state-delocalization-2112.02141</loc><lastmod>2024-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-the-coherent-propagation-of-organic-exciton-polaritons-through-dark-state-delocalization-2112.02141"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-the-coherent-propagation-of-organic-exciton-polaritons-through-dark-state-delocalization-2112.02141"/></url>
<url><loc>https://scifaro.com/en/abs/uv-visible-absorption-spectra-of-solvated-molecules-by-quantum-chemical-machine-learning-2112.02169</loc><lastmod>2022-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uv-visible-absorption-spectra-of-solvated-molecules-by-quantum-chemical-machine-learning-2112.02169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uv-visible-absorption-spectra-of-solvated-molecules-by-quantum-chemical-machine-learning-2112.02169"/></url>
<url><loc>https://scifaro.com/en/abs/alkalinity-concentration-swing-for-direct-air-capture-of-carbon-dioxide-2112.02390</loc><lastmod>2021-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alkalinity-concentration-swing-for-direct-air-capture-of-carbon-dioxide-2112.02390"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alkalinity-concentration-swing-for-direct-air-capture-of-carbon-dioxide-2112.02390"/></url>
<url><loc>https://scifaro.com/en/abs/exact-factorization-based-surface-hopping-for-multi-state-dynamics-2112.02727</loc><lastmod>2022-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-factorization-based-surface-hopping-for-multi-state-dynamics-2112.02727"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-factorization-based-surface-hopping-for-multi-state-dynamics-2112.02727"/></url>
<url><loc>https://scifaro.com/en/abs/cerium-oxides-without-u-the-role-of-many-electron-correlation-2112.02850</loc><lastmod>2021-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cerium-oxides-without-u-the-role-of-many-electron-correlation-2112.02850"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cerium-oxides-without-u-the-role-of-many-electron-correlation-2112.02850"/></url>
<url><loc>https://scifaro.com/en/abs/damped-physical-oscillators-temperature-and-chemical-clocks-2112.03083</loc><lastmod>2021-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/damped-physical-oscillators-temperature-and-chemical-clocks-2112.03083"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/damped-physical-oscillators-temperature-and-chemical-clocks-2112.03083"/></url>
<url><loc>https://scifaro.com/en/abs/towards-real-time-oxygen-sensing-from-nanomaterials-to-plasma-2112.03434</loc><lastmod>2021-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-real-time-oxygen-sensing-from-nanomaterials-to-plasma-2112.03434"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-real-time-oxygen-sensing-from-nanomaterials-to-plasma-2112.03434"/></url>
<url><loc>https://scifaro.com/en/abs/electrocatalytic-reduction-of-nitrogen-to-ammonia-in-ionic-liquids-2112.03563</loc><lastmod>2021-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrocatalytic-reduction-of-nitrogen-to-ammonia-in-ionic-liquids-2112.03563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrocatalytic-reduction-of-nitrogen-to-ammonia-in-ionic-liquids-2112.03563"/></url>
<url><loc>https://scifaro.com/en/abs/two-dimensional-terahertz-spectroscopy-of-condensed-phase-molecular-systems-2112.03591</loc><lastmod>2021-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-terahertz-spectroscopy-of-condensed-phase-molecular-systems-2112.03591"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-terahertz-spectroscopy-of-condensed-phase-molecular-systems-2112.03591"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-theory-of-the-hydrogen-bond-quantum-computation-2112.03774</loc><lastmod>2021-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-theory-of-the-hydrogen-bond-quantum-computation-2112.03774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-theory-of-the-hydrogen-bond-quantum-computation-2112.03774"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-anti-quasi-steady-state-conditions-of-enzyme-kinetics-2112.04098</loc><lastmod>2023-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-anti-quasi-steady-state-conditions-of-enzyme-kinetics-2112.04098"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-anti-quasi-steady-state-conditions-of-enzyme-kinetics-2112.04098"/></url>
<url><loc>https://scifaro.com/en/abs/electron-correlation-nature-s-weird-and-wonderful-chemical-glue-2112.04696</loc><lastmod>2022-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-correlation-nature-s-weird-and-wonderful-chemical-glue-2112.04696"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-correlation-nature-s-weird-and-wonderful-chemical-glue-2112.04696"/></url>
<url><loc>https://scifaro.com/en/abs/global-and-local-approaches-to-population-analysis-bonding-patterns-in-superheavy-element-compounds-2112.04738</loc><lastmod>2021-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/global-and-local-approaches-to-population-analysis-bonding-patterns-in-superheavy-element-compounds-2112.04738"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/global-and-local-approaches-to-population-analysis-bonding-patterns-in-superheavy-element-compounds-2112.04738"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-the-tafel-slope-and-reaction-order-of-the-oxygen-evolution-reaction-between-ph-12-and-ph-14-for-the-adsorbate-mechanism-2112.04747</loc><lastmod>2021-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-the-tafel-slope-and-reaction-order-of-the-oxygen-evolution-reaction-between-ph-12-and-ph-14-for-the-adsorbate-mechanism-2112.04747"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-the-tafel-slope-and-reaction-order-of-the-oxygen-evolution-reaction-between-ph-12-and-ph-14-for-the-adsorbate-mechanism-2112.04747"/></url>
<url><loc>https://scifaro.com/en/abs/alcro-protected-textured-stainless-steel-surface-for-high-temperature-solar-selective-absorber-applications-2112.04823</loc><lastmod>2022-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alcro-protected-textured-stainless-steel-surface-for-high-temperature-solar-selective-absorber-applications-2112.04823"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alcro-protected-textured-stainless-steel-surface-for-high-temperature-solar-selective-absorber-applications-2112.04823"/></url>
<url><loc>https://scifaro.com/en/abs/expansive-quantum-mechanical-exploration-of-chemical-reaction-paths-2112.04944</loc><lastmod>2022-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/expansive-quantum-mechanical-exploration-of-chemical-reaction-paths-2112.04944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/expansive-quantum-mechanical-exploration-of-chemical-reaction-paths-2112.04944"/></url>
<url><loc>https://scifaro.com/en/abs/sub-millimeter-wave-spectroscopy-of-gauche-propanal-2112.04945</loc><lastmod>2022-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sub-millimeter-wave-spectroscopy-of-gauche-propanal-2112.04945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sub-millimeter-wave-spectroscopy-of-gauche-propanal-2112.04945"/></url>
<url><loc>https://scifaro.com/en/abs/projection-population-analysis-for-molecules-with-heavy-and-superheavy-atoms-2112.05187</loc><lastmod>2021-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/projection-population-analysis-for-molecules-with-heavy-and-superheavy-atoms-2112.05187"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/projection-population-analysis-for-molecules-with-heavy-and-superheavy-atoms-2112.05187"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-two-dimensional-electronic-spectroscopy-reveals-homogeneous-line-profiles-in-isolated-nanoparticles-2112.05418</loc><lastmod>2022-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-two-dimensional-electronic-spectroscopy-reveals-homogeneous-line-profiles-in-isolated-nanoparticles-2112.05418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-two-dimensional-electronic-spectroscopy-reveals-homogeneous-line-profiles-in-isolated-nanoparticles-2112.05418"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-measurements-of-liquid-flat-jets-in-vacuum-2112.05466</loc><lastmod>2022-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-measurements-of-liquid-flat-jets-in-vacuum-2112.05466"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-measurements-of-liquid-flat-jets-in-vacuum-2112.05466"/></url>
<url><loc>https://scifaro.com/en/abs/connection-between-water-s-dynamical-and-structural-properties-insights-from-ab-initio-simulations-2112.05525</loc><lastmod>2022-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/connection-between-water-s-dynamical-and-structural-properties-insights-from-ab-initio-simulations-2112.05525"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/connection-between-water-s-dynamical-and-structural-properties-insights-from-ab-initio-simulations-2112.05525"/></url>
<url><loc>https://scifaro.com/en/abs/using-machine-learning-to-find-new-density-functionals-2112.05554</loc><lastmod>2021-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-machine-learning-to-find-new-density-functionals-2112.05554"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-machine-learning-to-find-new-density-functionals-2112.05554"/></url>
<url><loc>https://scifaro.com/en/abs/transient-absorption-femtosecond-dynamics-vibrational-coherence-and-molecular-modelling-of-the-photoisomerization-of-n-salicylidene-o-aminophenol-in-solution-2112.05591</loc><lastmod>2021-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transient-absorption-femtosecond-dynamics-vibrational-coherence-and-molecular-modelling-of-the-photoisomerization-of-n-salicylidene-o-aminophenol-in-solution-2112.05591"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transient-absorption-femtosecond-dynamics-vibrational-coherence-and-molecular-modelling-of-the-photoisomerization-of-n-salicylidene-o-aminophenol-in-solution-2112.05591"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-consistent-gaussian-basis-sets-for-solids-made-simple-2112.05824</loc><lastmod>2022-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-consistent-gaussian-basis-sets-for-solids-made-simple-2112.05824"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-consistent-gaussian-basis-sets-for-solids-made-simple-2112.05824"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-the-multivalent-aluminium-ion-redox-mechanism-in-3-4-9-10-perylenetetracarboxylic-dianhydride-ptcda-2112.06371</loc><lastmod>2022-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-the-multivalent-aluminium-ion-redox-mechanism-in-3-4-9-10-perylenetetracarboxylic-dianhydride-ptcda-2112.06371"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-the-multivalent-aluminium-ion-redox-mechanism-in-3-4-9-10-perylenetetracarboxylic-dianhydride-ptcda-2112.06371"/></url>
<url><loc>https://scifaro.com/en/abs/production-of-pa-230-as-a-source-for-medical-radionuclides-u-230-and-th-226-including-isolation-by-liquid-liquid-extraction-2112.06572</loc><lastmod>2022-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/production-of-pa-230-as-a-source-for-medical-radionuclides-u-230-and-th-226-including-isolation-by-liquid-liquid-extraction-2112.06572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/production-of-pa-230-as-a-source-for-medical-radionuclides-u-230-and-th-226-including-isolation-by-liquid-liquid-extraction-2112.06572"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-constraints-on-spin-order-transfer-in-parahydrogen-induced-polarization-phip-2112.06852</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-constraints-on-spin-order-transfer-in-parahydrogen-induced-polarization-phip-2112.06852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-constraints-on-spin-order-transfer-in-parahydrogen-induced-polarization-phip-2112.06852"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-and-theoretical-studies-of-the-gas-phase-reactions-of-o-1-d-with-h-2-o-and-d-2-o-at-low-temperature-2112.06914</loc><lastmod>2021-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-and-theoretical-studies-of-the-gas-phase-reactions-of-o-1-d-with-h-2-o-and-d-2-o-at-low-temperature-2112.06914"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-and-theoretical-studies-of-the-gas-phase-reactions-of-o-1-d-with-h-2-o-and-d-2-o-at-low-temperature-2112.06914"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-approximations-for-composite-quantum-systems-assessment-of-error-estimates-for-a-separable-ansatz-2112.06915</loc><lastmod>2023-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-approximations-for-composite-quantum-systems-assessment-of-error-estimates-for-a-separable-ansatz-2112.06915"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-approximations-for-composite-quantum-systems-assessment-of-error-estimates-for-a-separable-ansatz-2112.06915"/></url>
<url><loc>https://scifaro.com/en/abs/structural-and-thermodynamics-properties-of-pure-phase-alkanes-monoamides-and-alkane-monoamide-mixtures-with-an-ab-initio-based-force-field-model-2112.06970</loc><lastmod>2022-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-and-thermodynamics-properties-of-pure-phase-alkanes-monoamides-and-alkane-monoamide-mixtures-with-an-ab-initio-based-force-field-model-2112.06970"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-and-thermodynamics-properties-of-pure-phase-alkanes-monoamides-and-alkane-monoamide-mixtures-with-an-ab-initio-based-force-field-model-2112.06970"/></url>
<url><loc>https://scifaro.com/en/abs/discovering-of-the-l-ligand-impact-on-luminescence-enhancement-of-eu-dibenzoylmethane-3-lx-complexes-employing-transient-absorption-spectroscopy-2112.06972</loc><lastmod>2021-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/discovering-of-the-l-ligand-impact-on-luminescence-enhancement-of-eu-dibenzoylmethane-3-lx-complexes-employing-transient-absorption-spectroscopy-2112.06972"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/discovering-of-the-l-ligand-impact-on-luminescence-enhancement-of-eu-dibenzoylmethane-3-lx-complexes-employing-transient-absorption-spectroscopy-2112.06972"/></url>
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<url><loc>https://scifaro.com/en/abs/molecular-polaritonics-chemical-dynamics-under-strong-light-matter-coupling-2112.07258</loc><lastmod>2021-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-polaritonics-chemical-dynamics-under-strong-light-matter-coupling-2112.07258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-polaritonics-chemical-dynamics-under-strong-light-matter-coupling-2112.07258"/></url>
<url><loc>https://scifaro.com/en/abs/enantiodetection-of-chiral-molecules-via-two-dimensional-spectroscopy-2112.07597</loc><lastmod>2022-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enantiodetection-of-chiral-molecules-via-two-dimensional-spectroscopy-2112.07597"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enantiodetection-of-chiral-molecules-via-two-dimensional-spectroscopy-2112.07597"/></url>
<url><loc>https://scifaro.com/en/abs/polarizable-embedding-complex-polarization-propagator-in-four-and-two-component-frameworks-2112.07721</loc><lastmod>2022-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polarizable-embedding-complex-polarization-propagator-in-four-and-two-component-frameworks-2112.07721"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polarizable-embedding-complex-polarization-propagator-in-four-and-two-component-frameworks-2112.07721"/></url>
<url><loc>https://scifaro.com/en/abs/partial-wave-approach-to-the-stark-resonance-problem-of-the-water-molecule-2112.07722</loc><lastmod>2022-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/partial-wave-approach-to-the-stark-resonance-problem-of-the-water-molecule-2112.07722"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/partial-wave-approach-to-the-stark-resonance-problem-of-the-water-molecule-2112.07722"/></url>
<url><loc>https://scifaro.com/en/abs/cds-cdse-cds-spherical-quantum-wells-as-single-photon-sources-2112.07788</loc><lastmod>2021-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cds-cdse-cds-spherical-quantum-wells-as-single-photon-sources-2112.07788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cds-cdse-cds-spherical-quantum-wells-as-single-photon-sources-2112.07788"/></url>
<url><loc>https://scifaro.com/en/abs/frame-guided-assembly-from-a-theoretical-perspective-2112.07792</loc><lastmod>2022-05-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frame-guided-assembly-from-a-theoretical-perspective-2112.07792"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frame-guided-assembly-from-a-theoretical-perspective-2112.07792"/></url>
<url><loc>https://scifaro.com/en/abs/decoupling-of-spin-decoherence-paths-near-zero-magnetic-field-2112.08536</loc><lastmod>2022-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decoupling-of-spin-decoherence-paths-near-zero-magnetic-field-2112.08536"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decoupling-of-spin-decoherence-paths-near-zero-magnetic-field-2112.08536"/></url>
<url><loc>https://scifaro.com/en/abs/real-space-density-kernel-method-for-kohn-sham-density-functional-theory-calculations-at-high-temperature-2112.08639</loc><lastmod>2022-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-space-density-kernel-method-for-kohn-sham-density-functional-theory-calculations-at-high-temperature-2112.08639"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-space-density-kernel-method-for-kohn-sham-density-functional-theory-calculations-at-high-temperature-2112.08639"/></url>
<url><loc>https://scifaro.com/en/abs/towards-rigorous-validation-of-li-s-battery-models-2112.08722</loc><lastmod>2021-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-rigorous-validation-of-li-s-battery-models-2112.08722"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-rigorous-validation-of-li-s-battery-models-2112.08722"/></url>
<url><loc>https://scifaro.com/en/abs/iterative-subspace-algorithms-for-finite-temperature-solution-of-dyson-equation-2112.08890</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/iterative-subspace-algorithms-for-finite-temperature-solution-of-dyson-equation-2112.08890"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/iterative-subspace-algorithms-for-finite-temperature-solution-of-dyson-equation-2112.08890"/></url>
<url><loc>https://scifaro.com/en/abs/isotope-effect-on-the-anomalies-of-water-a-corresponding-states-analysis-2112.09010</loc><lastmod>2024-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isotope-effect-on-the-anomalies-of-water-a-corresponding-states-analysis-2112.09010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isotope-effect-on-the-anomalies-of-water-a-corresponding-states-analysis-2112.09010"/></url>
<url><loc>https://scifaro.com/en/abs/shear-viscosity-and-stokes-einstein-violation-in-supercooled-light-and-heavy-water-2112.09024</loc><lastmod>2023-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/shear-viscosity-and-stokes-einstein-violation-in-supercooled-light-and-heavy-water-2112.09024"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/shear-viscosity-and-stokes-einstein-violation-in-supercooled-light-and-heavy-water-2112.09024"/></url>
<url><loc>https://scifaro.com/en/abs/quantitative-study-of-enantiomer-specific-state-transfer-2112.09058</loc><lastmod>2022-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantitative-study-of-enantiomer-specific-state-transfer-2112.09058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantitative-study-of-enantiomer-specific-state-transfer-2112.09058"/></url>
<url><loc>https://scifaro.com/en/abs/extensive-quantum-chemistry-study-of-neutral-and-charged-c-4-n-chains-an-attempt-to-aid-astronomical-observation-2112.09285</loc><lastmod>2021-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extensive-quantum-chemistry-study-of-neutral-and-charged-c-4-n-chains-an-attempt-to-aid-astronomical-observation-2112.09285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extensive-quantum-chemistry-study-of-neutral-and-charged-c-4-n-chains-an-attempt-to-aid-astronomical-observation-2112.09285"/></url>
<url><loc>https://scifaro.com/en/abs/collision-sticking-kinetics-of-acid-base-clusters-and-its-influence-on-atmospheric-new-particle-formation-2112.09492</loc><lastmod>2021-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collision-sticking-kinetics-of-acid-base-clusters-and-its-influence-on-atmospheric-new-particle-formation-2112.09492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collision-sticking-kinetics-of-acid-base-clusters-and-its-influence-on-atmospheric-new-particle-formation-2112.09492"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-characterization-of-the-a-3-pi-state-of-aluminum-monofluoride-2112.09498</loc><lastmod>2022-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-characterization-of-the-a-3-pi-state-of-aluminum-monofluoride-2112.09498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-characterization-of-the-a-3-pi-state-of-aluminum-monofluoride-2112.09498"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-excitations-through-the-prism-of-mean-field-decomposition-techniques-2112.09508</loc><lastmod>2022-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-excitations-through-the-prism-of-mean-field-decomposition-techniques-2112.09508"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-excitations-through-the-prism-of-mean-field-decomposition-techniques-2112.09508"/></url>
<url><loc>https://scifaro.com/en/abs/anisotropic-thermal-characterisation-of-large-format-lithium-ion-pouch-cells-2112.09768</loc><lastmod>2022-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anisotropic-thermal-characterisation-of-large-format-lithium-ion-pouch-cells-2112.09768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anisotropic-thermal-characterisation-of-large-format-lithium-ion-pouch-cells-2112.09768"/></url>
<url><loc>https://scifaro.com/en/abs/collective-bath-coordinate-mapping-of-hierarchy-in-hierarchical-equations-of-motion-2112.09861</loc><lastmod>2022-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collective-bath-coordinate-mapping-of-hierarchy-in-hierarchical-equations-of-motion-2112.09861"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collective-bath-coordinate-mapping-of-hierarchy-in-hierarchical-equations-of-motion-2112.09861"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-analysis-of-the-role-of-complex-transition-dipole-phase-in-xuv-transient-absorption-probing-of-charge-migration-2112.10008</loc><lastmod>2022-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-analysis-of-the-role-of-complex-transition-dipole-phase-in-xuv-transient-absorption-probing-of-charge-migration-2112.10008"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-analysis-of-the-role-of-complex-transition-dipole-phase-in-xuv-transient-absorption-probing-of-charge-migration-2112.10008"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-application-of-statistical-mechanics-to-diatomic-molecules-2112.10010</loc><lastmod>2021-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-application-of-statistical-mechanics-to-diatomic-molecules-2112.10010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-application-of-statistical-mechanics-to-diatomic-molecules-2112.10010"/></url>
<url><loc>https://scifaro.com/en/abs/a-tutorial-review-probing-molecular-structure-and-dynamics-with-cei-and-lied-2112.10029</loc><lastmod>2021-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-tutorial-review-probing-molecular-structure-and-dynamics-with-cei-and-lied-2112.10029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-tutorial-review-probing-molecular-structure-and-dynamics-with-cei-and-lied-2112.10029"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-layer-slipping-on-adsorption-of-light-gases-in-covalent-organic-frameworks-a-combined-experimental-and-computational-study-2112.10137</loc><lastmod>2021-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-layer-slipping-on-adsorption-of-light-gases-in-covalent-organic-frameworks-a-combined-experimental-and-computational-study-2112.10137"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-layer-slipping-on-adsorption-of-light-gases-in-covalent-organic-frameworks-a-combined-experimental-and-computational-study-2112.10137"/></url>
<url><loc>https://scifaro.com/en/abs/gaussian-processes-for-finite-size-extrapolation-of-many-body-simulations-2112.10334</loc><lastmod>2024-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-processes-for-finite-size-extrapolation-of-many-body-simulations-2112.10334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-processes-for-finite-size-extrapolation-of-many-body-simulations-2112.10334"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-core-excited-and-core-ionized-states-using-variational-quantum-deflation-method-and-applications-to-photocatalyst-modelling-2112.10350</loc><lastmod>2022-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-core-excited-and-core-ionized-states-using-variational-quantum-deflation-method-and-applications-to-photocatalyst-modelling-2112.10350"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-core-excited-and-core-ionized-states-using-variational-quantum-deflation-method-and-applications-to-photocatalyst-modelling-2112.10350"/></url>
<url><loc>https://scifaro.com/en/abs/photophysical-properties-of-bodipy-derivatives-for-the-implementation-of-organic-solar-cells-a-computational-approach-2112.10492</loc><lastmod>2021-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photophysical-properties-of-bodipy-derivatives-for-the-implementation-of-organic-solar-cells-a-computational-approach-2112.10492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photophysical-properties-of-bodipy-derivatives-for-the-implementation-of-organic-solar-cells-a-computational-approach-2112.10492"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-channel-for-excitonic-transport-in-the-fmo-complex-2112.10667</loc><lastmod>2022-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-channel-for-excitonic-transport-in-the-fmo-complex-2112.10667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-channel-for-excitonic-transport-in-the-fmo-complex-2112.10667"/></url>
<url><loc>https://scifaro.com/en/abs/competing-ionization-and-dissociation-in-the-h-2-gerade-system-2112.10820</loc><lastmod>2025-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/competing-ionization-and-dissociation-in-the-h-2-gerade-system-2112.10820"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/competing-ionization-and-dissociation-in-the-h-2-gerade-system-2112.10820"/></url>
<url><loc>https://scifaro.com/en/abs/retrocomposer-composing-templates-for-template-based-retrosynthesis-prediction-2112.11225</loc><lastmod>2022-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/retrocomposer-composing-templates-for-template-based-retrosynthesis-prediction-2112.11225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/retrocomposer-composing-templates-for-template-based-retrosynthesis-prediction-2112.11225"/></url>
<url><loc>https://scifaro.com/en/abs/burnn-buffer-region-neural-network-approach-for-polarizable-embedding-neural-network-molecular-mechanics-simulations-2112.11395</loc><lastmod>2022-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/burnn-buffer-region-neural-network-approach-for-polarizable-embedding-neural-network-molecular-mechanics-simulations-2112.11395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/burnn-buffer-region-neural-network-approach-for-polarizable-embedding-neural-network-molecular-mechanics-simulations-2112.11395"/></url>
<url><loc>https://scifaro.com/en/abs/size-and-shape-space-gaussian-mixture-models-for-structural-clustering-of-molecular-dynamics-trajectories-2112.11424</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-and-shape-space-gaussian-mixture-models-for-structural-clustering-of-molecular-dynamics-trajectories-2112.11424"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-and-shape-space-gaussian-mixture-models-for-structural-clustering-of-molecular-dynamics-trajectories-2112.11424"/></url>
<url><loc>https://scifaro.com/en/abs/cooperative-molecular-structure-in-polaritonic-and-dark-states-2112.11498</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cooperative-molecular-structure-in-polaritonic-and-dark-states-2112.11498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cooperative-molecular-structure-in-polaritonic-and-dark-states-2112.11498"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-energy-scales-for-the-structure-of-ionic-liquids-at-electrified-interfaces-a-theory-based-approach-2112.11511</loc><lastmod>2022-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-energy-scales-for-the-structure-of-ionic-liquids-at-electrified-interfaces-a-theory-based-approach-2112.11511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-energy-scales-for-the-structure-of-ionic-liquids-at-electrified-interfaces-a-theory-based-approach-2112.11511"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-bonding-and-nuclear-quantum-effects-in-clays-2112.11525</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-bonding-and-nuclear-quantum-effects-in-clays-2112.11525"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-bonding-and-nuclear-quantum-effects-in-clays-2112.11525"/></url>
<url><loc>https://scifaro.com/en/abs/the-effects-of-halide-anions-on-the-electroreduction-of-co2-to-c2h4-a-density-functional-theory-study-2112.11746</loc><lastmod>2021-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-effects-of-halide-anions-on-the-electroreduction-of-co2-to-c2h4-a-density-functional-theory-study-2112.11746"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-effects-of-halide-anions-on-the-electroreduction-of-co2-to-c2h4-a-density-functional-theory-study-2112.11746"/></url>
<url><loc>https://scifaro.com/en/abs/inelastic-scattering-of-electrons-in-water-from-first-principles-cross-sections-and-inelastic-mean-free-path-for-use-in-monte-carlo-track-structure-simulations-of-biological-damage-2112.11803</loc><lastmod>2022-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inelastic-scattering-of-electrons-in-water-from-first-principles-cross-sections-and-inelastic-mean-free-path-for-use-in-monte-carlo-track-structure-simulations-of-biological-damage-2112.11803"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inelastic-scattering-of-electrons-in-water-from-first-principles-cross-sections-and-inelastic-mean-free-path-for-use-in-monte-carlo-track-structure-simulations-of-biological-damage-2112.11803"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-structure-of-confined-carbyne-from-joint-wavelength-dependent-resonant-raman-spectroscopy-and-density-functional-theory-investigations-2112.11919</loc><lastmod>2021-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-structure-of-confined-carbyne-from-joint-wavelength-dependent-resonant-raman-spectroscopy-and-density-functional-theory-investigations-2112.11919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-structure-of-confined-carbyne-from-joint-wavelength-dependent-resonant-raman-spectroscopy-and-density-functional-theory-investigations-2112.11919"/></url>
<url><loc>https://scifaro.com/en/abs/bose-enhancement-of-excitation-energy-transfer-with-molecular-exciton-polariton-condensates-2112.12439</loc><lastmod>2022-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bose-enhancement-of-excitation-energy-transfer-with-molecular-exciton-polariton-condensates-2112.12439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bose-enhancement-of-excitation-energy-transfer-with-molecular-exciton-polariton-condensates-2112.12439"/></url>
<url><loc>https://scifaro.com/en/abs/an-orbital-based-representation-for-accurate-quantum-machine-learning-2112.12877</loc><lastmod>2022-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-orbital-based-representation-for-accurate-quantum-machine-learning-2112.12877"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-orbital-based-representation-for-accurate-quantum-machine-learning-2112.12877"/></url>
<url><loc>https://scifaro.com/en/abs/fleim-a-stable-accurate-and-robust-extrapolation-method-at-infinity-for-computing-the-ground-state-of-electronic-hamiltonians-2112.13139</loc><lastmod>2021-12-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fleim-a-stable-accurate-and-robust-extrapolation-method-at-infinity-for-computing-the-ground-state-of-electronic-hamiltonians-2112.13139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fleim-a-stable-accurate-and-robust-extrapolation-method-at-infinity-for-computing-the-ground-state-of-electronic-hamiltonians-2112.13139"/></url>
<url><loc>https://scifaro.com/en/abs/a-deep-potential-model-with-long-range-electrostatic-interactions-2112.13327</loc><lastmod>2022-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-deep-potential-model-with-long-range-electrostatic-interactions-2112.13327"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-deep-potential-model-with-long-range-electrostatic-interactions-2112.13327"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-and-characterization-of-new-chitosan-based-nanocomposite-gel-and-its-application-towards-dye-removal-2112.13532</loc><lastmod>2021-12-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-and-characterization-of-new-chitosan-based-nanocomposite-gel-and-its-application-towards-dye-removal-2112.13532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-and-characterization-of-new-chitosan-based-nanocomposite-gel-and-its-application-towards-dye-removal-2112.13532"/></url>
<url><loc>https://scifaro.com/en/abs/rapid-water-diffusion-at-cryogenic-temperatures-through-an-inchworm-like-mechanism-2112.13549</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rapid-water-diffusion-at-cryogenic-temperatures-through-an-inchworm-like-mechanism-2112.13549"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rapid-water-diffusion-at-cryogenic-temperatures-through-an-inchworm-like-mechanism-2112.13549"/></url>
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<url><loc>https://scifaro.com/en/abs/a-four-parameter-model-for-the-solid-electrolyte-interphase-to-predict-battery-aging-during-operation-2112.13671</loc><lastmod>2022-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-four-parameter-model-for-the-solid-electrolyte-interphase-to-predict-battery-aging-during-operation-2112.13671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-four-parameter-model-for-the-solid-electrolyte-interphase-to-predict-battery-aging-during-operation-2112.13671"/></url>
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<url><loc>https://scifaro.com/en/abs/geometric-quantum-adiabatic-methods-for-quantum-chemistry-2112.15186</loc><lastmod>2023-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-quantum-adiabatic-methods-for-quantum-chemistry-2112.15186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-quantum-adiabatic-methods-for-quantum-chemistry-2112.15186"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-the-oxidation-states-of-mn-ions-in-the-oxygen-evolving-complex-of-photosystem-ii-using-supervised-and-unsupervised-machine-learning-2112.15460</loc><lastmod>2022-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-the-oxidation-states-of-mn-ions-in-the-oxygen-evolving-complex-of-photosystem-ii-using-supervised-and-unsupervised-machine-learning-2112.15460"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-the-oxidation-states-of-mn-ions-in-the-oxygen-evolving-complex-of-photosystem-ii-using-supervised-and-unsupervised-machine-learning-2112.15460"/></url>
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<url><loc>https://scifaro.com/en/abs/development-of-the-quantum-inspired-sibfa-many-body-polarizable-force-field-enabling-condensed-phase-molecular-dynamics-simulations-2201.00804</loc><lastmod>2023-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-the-quantum-inspired-sibfa-many-body-polarizable-force-field-enabling-condensed-phase-molecular-dynamics-simulations-2201.00804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-the-quantum-inspired-sibfa-many-body-polarizable-force-field-enabling-condensed-phase-molecular-dynamics-simulations-2201.00804"/></url>
<url><loc>https://scifaro.com/en/abs/mean-first-passage-times-for-solvated-licn-isomerization-at-intermediate-to-high-temperatures-2201.00868</loc><lastmod>2022-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mean-first-passage-times-for-solvated-licn-isomerization-at-intermediate-to-high-temperatures-2201.00868"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mean-first-passage-times-for-solvated-licn-isomerization-at-intermediate-to-high-temperatures-2201.00868"/></url>
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<url><loc>https://scifaro.com/en/abs/imaging-of-chemical-kinetics-at-the-water-water-interface-in-a-free-flowing-liquid-flat-jet-2201.05008</loc><lastmod>2022-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-of-chemical-kinetics-at-the-water-water-interface-in-a-free-flowing-liquid-flat-jet-2201.05008"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-of-chemical-kinetics-at-the-water-water-interface-in-a-free-flowing-liquid-flat-jet-2201.05008"/></url>
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<url><loc>https://scifaro.com/en/abs/applicability-of-the-thawed-gaussian-wavepacket-dynamics-to-the-calculation-of-vibronic-spectra-of-molecules-with-double-well-potential-energy-surfaces-2201.05660</loc><lastmod>2022-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/applicability-of-the-thawed-gaussian-wavepacket-dynamics-to-the-calculation-of-vibronic-spectra-of-molecules-with-double-well-potential-energy-surfaces-2201.05660"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/applicability-of-the-thawed-gaussian-wavepacket-dynamics-to-the-calculation-of-vibronic-spectra-of-molecules-with-double-well-potential-energy-surfaces-2201.05660"/></url>
<url><loc>https://scifaro.com/en/abs/unravelling-distance-dependent-inter-site-interactions-and-magnetic-transition-effects-of-heteronuclear-single-atom-catalysts-on-electrochemical-oxygen-reduction-2201.05801</loc><lastmod>2022-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unravelling-distance-dependent-inter-site-interactions-and-magnetic-transition-effects-of-heteronuclear-single-atom-catalysts-on-electrochemical-oxygen-reduction-2201.05801"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unravelling-distance-dependent-inter-site-interactions-and-magnetic-transition-effects-of-heteronuclear-single-atom-catalysts-on-electrochemical-oxygen-reduction-2201.05801"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-high-temperature-chemical-reactions-on-metal-surfaces-2201.05853</loc><lastmod>2022-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-high-temperature-chemical-reactions-on-metal-surfaces-2201.05853"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-high-temperature-chemical-reactions-on-metal-surfaces-2201.05853"/></url>
<url><loc>https://scifaro.com/en/abs/experiment-research-on-the-sequence-and-mechanism-of-gold-and-silver-composite-nanocrystal-synthesis-2201.06092</loc><lastmod>2022-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experiment-research-on-the-sequence-and-mechanism-of-gold-and-silver-composite-nanocrystal-synthesis-2201.06092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experiment-research-on-the-sequence-and-mechanism-of-gold-and-silver-composite-nanocrystal-synthesis-2201.06092"/></url>
<url><loc>https://scifaro.com/en/abs/universal-hydrogen-bond-symmetrisation-dynamics-under-extreme-conditions-2201.06195</loc><lastmod>2022-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-hydrogen-bond-symmetrisation-dynamics-under-extreme-conditions-2201.06195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-hydrogen-bond-symmetrisation-dynamics-under-extreme-conditions-2201.06195"/></url>
<url><loc>https://scifaro.com/en/abs/near-exact-nuclear-gradients-of-complete-active-space-self-consistent-field-wave-functions-2201.06514</loc><lastmod>2022-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-exact-nuclear-gradients-of-complete-active-space-self-consistent-field-wave-functions-2201.06514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-exact-nuclear-gradients-of-complete-active-space-self-consistent-field-wave-functions-2201.06514"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-tunneling-spectra-of-molecules-with-asymmetric-wells-a-combined-vibrational-configuration-interaction-and-instanton-approach-2201.06654</loc><lastmod>2022-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-tunneling-spectra-of-molecules-with-asymmetric-wells-a-combined-vibrational-configuration-interaction-and-instanton-approach-2201.06654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-tunneling-spectra-of-molecules-with-asymmetric-wells-a-combined-vibrational-configuration-interaction-and-instanton-approach-2201.06654"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-second-order-green-s-function-theory-for-neutral-excitations-2201.06690</loc><lastmod>2022-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-second-order-green-s-function-theory-for-neutral-excitations-2201.06690"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-second-order-green-s-function-theory-for-neutral-excitations-2201.06690"/></url>
<url><loc>https://scifaro.com/en/abs/alchemical-geometry-relaxation-2201.07129</loc><lastmod>2024-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alchemical-geometry-relaxation-2201.07129"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alchemical-geometry-relaxation-2201.07129"/></url>
<url><loc>https://scifaro.com/en/abs/semi-empirical-and-linear-scaling-dft-methods-to-characterize-duplex-dna-and-g-quadruplexes-in-presence-of-interacting-small-molecules-2201.07157</loc><lastmod>2022-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semi-empirical-and-linear-scaling-dft-methods-to-characterize-duplex-dna-and-g-quadruplexes-in-presence-of-interacting-small-molecules-2201.07157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semi-empirical-and-linear-scaling-dft-methods-to-characterize-duplex-dna-and-g-quadruplexes-in-presence-of-interacting-small-molecules-2201.07157"/></url>
<url><loc>https://scifaro.com/en/abs/simulations-of-the-electrochemical-oxidation-of-pt-nanoparticles-of-various-shapes-2201.07605</loc><lastmod>2022-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulations-of-the-electrochemical-oxidation-of-pt-nanoparticles-of-various-shapes-2201.07605"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulations-of-the-electrochemical-oxidation-of-pt-nanoparticles-of-various-shapes-2201.07605"/></url>
<url><loc>https://scifaro.com/en/abs/a-lower-scaling-four-component-relativistic-coupled-cluster-method-based-on-natural-spinors-2201.07752</loc><lastmod>2022-06-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-lower-scaling-four-component-relativistic-coupled-cluster-method-based-on-natural-spinors-2201.07752"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-lower-scaling-four-component-relativistic-coupled-cluster-method-based-on-natural-spinors-2201.07752"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-orbital-minimization-method-for-excited-states-calculation-on-quantum-computer-2201.07963</loc><lastmod>2022-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-orbital-minimization-method-for-excited-states-calculation-on-quantum-computer-2201.07963"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-orbital-minimization-method-for-excited-states-calculation-on-quantum-computer-2201.07963"/></url>
<url><loc>https://scifaro.com/en/abs/frequency-dependent-sternheimer-linear-response-formalism-for-strongly-coupled-light-matter-systems-2201.08734</loc><lastmod>2022-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frequency-dependent-sternheimer-linear-response-formalism-for-strongly-coupled-light-matter-systems-2201.08734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frequency-dependent-sternheimer-linear-response-formalism-for-strongly-coupled-light-matter-systems-2201.08734"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-catalytic-activity-and-selectivity-in-photocatalysis-on-dielectric-cuprous-oxide-particles-2201.08828</loc><lastmod>2022-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-catalytic-activity-and-selectivity-in-photocatalysis-on-dielectric-cuprous-oxide-particles-2201.08828"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-catalytic-activity-and-selectivity-in-photocatalysis-on-dielectric-cuprous-oxide-particles-2201.08828"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-spectroscopy-of-isotopic-oxirane-c-c-2-h-4-o-2201.09266</loc><lastmod>2022-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-spectroscopy-of-isotopic-oxirane-c-c-2-h-4-o-2201.09266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-spectroscopy-of-isotopic-oxirane-c-c-2-h-4-o-2201.09266"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-electronic-correlation-on-the-high-harmonic-generation-in-helium-a-time-dependent-configuration-interaction-singles-vs-time-dependent-full-configuration-interaction-study-2201.09339</loc><lastmod>2022-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-electronic-correlation-on-the-high-harmonic-generation-in-helium-a-time-dependent-configuration-interaction-singles-vs-time-dependent-full-configuration-interaction-study-2201.09339"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-electronic-correlation-on-the-high-harmonic-generation-in-helium-a-time-dependent-configuration-interaction-singles-vs-time-dependent-full-configuration-interaction-study-2201.09339"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-quantum-simulation-of-molecular-ground-and-excited-states-with-a-transcorrelated-hamiltonian-2201.09852</loc><lastmod>2022-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-quantum-simulation-of-molecular-ground-and-excited-states-with-a-transcorrelated-hamiltonian-2201.09852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-quantum-simulation-of-molecular-ground-and-excited-states-with-a-transcorrelated-hamiltonian-2201.09852"/></url>
<url><loc>https://scifaro.com/en/abs/potential-energy-barrier-for-proton-transfer-in-compressed-benzoic-acid-2201.10192</loc><lastmod>2022-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/potential-energy-barrier-for-proton-transfer-in-compressed-benzoic-acid-2201.10192"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/potential-energy-barrier-for-proton-transfer-in-compressed-benzoic-acid-2201.10192"/></url>
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<url><loc>https://scifaro.com/en/abs/selected-configuration-interaction-wave-functions-in-phaseless-auxiliary-field-quantum-monte-carlo-2201.10458</loc><lastmod>2022-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selected-configuration-interaction-wave-functions-in-phaseless-auxiliary-field-quantum-monte-carlo-2201.10458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selected-configuration-interaction-wave-functions-in-phaseless-auxiliary-field-quantum-monte-carlo-2201.10458"/></url>
<url><loc>https://scifaro.com/en/abs/soici-and-iciso-combining-iterative-configuration-interaction-with-spin-orbit-coupling-in-two-ways-2201.10783</loc><lastmod>2022-04-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/soici-and-iciso-combining-iterative-configuration-interaction-with-spin-orbit-coupling-in-two-ways-2201.10783"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/soici-and-iciso-combining-iterative-configuration-interaction-with-spin-orbit-coupling-in-two-ways-2201.10783"/></url>
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<url><loc>https://scifaro.com/en/abs/using-hyper-optimized-tensor-networks-and-first-principles-electronic-structure-to-simulate-experimental-properties-of-the-giant-mn84-torus-2201.11979</loc><lastmod>2022-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-hyper-optimized-tensor-networks-and-first-principles-electronic-structure-to-simulate-experimental-properties-of-the-giant-mn84-torus-2201.11979"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-hyper-optimized-tensor-networks-and-first-principles-electronic-structure-to-simulate-experimental-properties-of-the-giant-mn84-torus-2201.11979"/></url>
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<url><loc>https://scifaro.com/en/abs/retroformer-pushing-the-limits-of-interpretable-end-to-end-retrosynthesis-transformer-2201.12475</loc><lastmod>2022-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/retroformer-pushing-the-limits-of-interpretable-end-to-end-retrosynthesis-transformer-2201.12475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/retroformer-pushing-the-limits-of-interpretable-end-to-end-retrosynthesis-transformer-2201.12475"/></url>
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<url><loc>https://scifaro.com/en/abs/effects-of-a-flexible-ion-gel-as-an-active-outer-layer-when-in-contact-with-a-metallic-electrode-2202.00101</loc><lastmod>2022-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-a-flexible-ion-gel-as-an-active-outer-layer-when-in-contact-with-a-metallic-electrode-2202.00101"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-a-flexible-ion-gel-as-an-active-outer-layer-when-in-contact-with-a-metallic-electrode-2202.00101"/></url>
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<url><loc>https://scifaro.com/en/abs/recent-advances-in-design-of-electrocatalysts-for-high-current-density-water-splitting-2202.07322</loc><lastmod>2022-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recent-advances-in-design-of-electrocatalysts-for-high-current-density-water-splitting-2202.07322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recent-advances-in-design-of-electrocatalysts-for-high-current-density-water-splitting-2202.07322"/></url>
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<url><loc>https://scifaro.com/en/abs/mean-first-passage-time-to-a-small-absorbing-target-in-three-dimensional-elongated-domains-2202.07405</loc><lastmod>2022-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mean-first-passage-time-to-a-small-absorbing-target-in-three-dimensional-elongated-domains-2202.07405"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mean-first-passage-time-to-a-small-absorbing-target-in-three-dimensional-elongated-domains-2202.07405"/></url>
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<url><loc>https://scifaro.com/en/abs/elementary-conjugated-fragments-in-acyclic-polyenes-with-heteroatoms-2202.07449</loc><lastmod>2022-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elementary-conjugated-fragments-in-acyclic-polyenes-with-heteroatoms-2202.07449"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elementary-conjugated-fragments-in-acyclic-polyenes-with-heteroatoms-2202.07449"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-method-for-analysis-of-interactions-between-chosen-protein-and-chondroitin-sulfate-in-an-aqueous-environment-2202.07461</loc><lastmod>2025-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-method-for-analysis-of-interactions-between-chosen-protein-and-chondroitin-sulfate-in-an-aqueous-environment-2202.07461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-method-for-analysis-of-interactions-between-chosen-protein-and-chondroitin-sulfate-in-an-aqueous-environment-2202.07461"/></url>
<url><loc>https://scifaro.com/en/abs/static-and-dynamic-bethe-salpeter-equations-in-the-t-matrix-approximation-2202.07936</loc><lastmod>2022-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/static-and-dynamic-bethe-salpeter-equations-in-the-t-matrix-approximation-2202.07936"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/static-and-dynamic-bethe-salpeter-equations-in-the-t-matrix-approximation-2202.07936"/></url>
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<url><loc>https://scifaro.com/en/abs/explicitly-correlated-electronic-structure-calculations-with-transcorrelated-matrix-product-operators-2202.08709</loc><lastmod>2022-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explicitly-correlated-electronic-structure-calculations-with-transcorrelated-matrix-product-operators-2202.08709"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explicitly-correlated-electronic-structure-calculations-with-transcorrelated-matrix-product-operators-2202.08709"/></url>
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<url><loc>https://scifaro.com/en/abs/entangled-spin-polarized-excitons-from-singlet-fission-in-a-rigid-dimer-2202.09678</loc><lastmod>2022-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entangled-spin-polarized-excitons-from-singlet-fission-in-a-rigid-dimer-2202.09678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entangled-spin-polarized-excitons-from-singlet-fission-in-a-rigid-dimer-2202.09678"/></url>
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<url><loc>https://scifaro.com/en/abs/nqcdynamics-jl-a-julia-package-for-nonadiabatic-quantum-classical-molecular-dynamics-in-the-condensed-phase-2202.12925</loc><lastmod>2022-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nqcdynamics-jl-a-julia-package-for-nonadiabatic-quantum-classical-molecular-dynamics-in-the-condensed-phase-2202.12925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nqcdynamics-jl-a-julia-package-for-nonadiabatic-quantum-classical-molecular-dynamics-in-the-condensed-phase-2202.12925"/></url>
<url><loc>https://scifaro.com/en/abs/n-electron-valence-perturbation-theory-with-reference-wavefunctions-from-quantum-computing-application-to-the-relative-stability-of-hydroxide-anion-and-hydroxyl-radical-2202.13002</loc><lastmod>2023-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/n-electron-valence-perturbation-theory-with-reference-wavefunctions-from-quantum-computing-application-to-the-relative-stability-of-hydroxide-anion-and-hydroxyl-radical-2202.13002"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/n-electron-valence-perturbation-theory-with-reference-wavefunctions-from-quantum-computing-application-to-the-relative-stability-of-hydroxide-anion-and-hydroxyl-radical-2202.13002"/></url>
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<url><loc>https://scifaro.com/en/abs/understanding-the-role-of-intramolecular-ion-pair-interactions-in-conformational-stability-using-an-ab-initio-thermodynamic-cycle-2203.03478</loc><lastmod>2023-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-role-of-intramolecular-ion-pair-interactions-in-conformational-stability-using-an-ab-initio-thermodynamic-cycle-2203.03478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-role-of-intramolecular-ion-pair-interactions-in-conformational-stability-using-an-ab-initio-thermodynamic-cycle-2203.03478"/></url>
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<url><loc>https://scifaro.com/en/abs/cuban-natural-palygorskite-nanoclays-for-the-removal-of-sulfamethoxazole-from-aqueous-solutions-2203.04411</loc><lastmod>2022-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cuban-natural-palygorskite-nanoclays-for-the-removal-of-sulfamethoxazole-from-aqueous-solutions-2203.04411"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cuban-natural-palygorskite-nanoclays-for-the-removal-of-sulfamethoxazole-from-aqueous-solutions-2203.04411"/></url>
<url><loc>https://scifaro.com/en/abs/automatic-differentiation-for-the-direct-minimization-approach-to-the-hartree-fock-method-2203.04441</loc><lastmod>2022-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automatic-differentiation-for-the-direct-minimization-approach-to-the-hartree-fock-method-2203.04441"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automatic-differentiation-for-the-direct-minimization-approach-to-the-hartree-fock-method-2203.04441"/></url>
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<url><loc>https://scifaro.com/en/abs/split-electrons-in-partition-density-functional-theory-2203.05594</loc><lastmod>2022-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/split-electrons-in-partition-density-functional-theory-2203.05594"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/split-electrons-in-partition-density-functional-theory-2203.05594"/></url>
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<url><loc>https://scifaro.com/en/abs/accurate-core-excited-states-via-inclusion-of-core-triple-excitations-in-similarity-transformed-eom-theory-2203.09491</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-core-excited-states-via-inclusion-of-core-triple-excitations-in-similarity-transformed-eom-theory-2203.09491"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-core-excited-states-via-inclusion-of-core-triple-excitations-in-similarity-transformed-eom-theory-2203.09491"/></url>
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<url><loc>https://scifaro.com/en/abs/general-time-dependent-configuration-interaction-singles-i-the-molecular-case-2204.09966</loc><lastmod>2022-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-time-dependent-configuration-interaction-singles-i-the-molecular-case-2204.09966"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-time-dependent-configuration-interaction-singles-i-the-molecular-case-2204.09966"/></url>
<url><loc>https://scifaro.com/en/abs/confinement-controlled-water-engenders-high-energy-density-electrochemical-double-layer-capacitance-2204.10127</loc><lastmod>2026-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/confinement-controlled-water-engenders-high-energy-density-electrochemical-double-layer-capacitance-2204.10127"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/confinement-controlled-water-engenders-high-energy-density-electrochemical-double-layer-capacitance-2204.10127"/></url>
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<url><loc>https://scifaro.com/en/abs/particle-formation-in-oxymethylene-ethers-omen-n-2-4-ethylene-premixed-flames-2204.10733</loc><lastmod>2022-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/particle-formation-in-oxymethylene-ethers-omen-n-2-4-ethylene-premixed-flames-2204.10733"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/particle-formation-in-oxymethylene-ethers-omen-n-2-4-ethylene-premixed-flames-2204.10733"/></url>
<url><loc>https://scifaro.com/en/abs/density-functionals-based-on-the-mathematical-structure-of-the-strong-interaction-limit-of-dft-2204.10769</loc><lastmod>2022-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functionals-based-on-the-mathematical-structure-of-the-strong-interaction-limit-of-dft-2204.10769"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functionals-based-on-the-mathematical-structure-of-the-strong-interaction-limit-of-dft-2204.10769"/></url>
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<url><loc>https://scifaro.com/en/abs/coherent-atomic-orbital-polarization-probes-the-geometric-phase-in-photodissociation-of-polyatomic-molecules-2204.11108</loc><lastmod>2022-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-atomic-orbital-polarization-probes-the-geometric-phase-in-photodissociation-of-polyatomic-molecules-2204.11108"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-atomic-orbital-polarization-probes-the-geometric-phase-in-photodissociation-of-polyatomic-molecules-2204.11108"/></url>
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<url><loc>https://scifaro.com/en/abs/the-moving-crude-adiabatic-alternative-to-the-adiabatic-representation-in-excited-state-dynamics-2205.00105</loc><lastmod>2022-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-moving-crude-adiabatic-alternative-to-the-adiabatic-representation-in-excited-state-dynamics-2205.00105"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-moving-crude-adiabatic-alternative-to-the-adiabatic-representation-in-excited-state-dynamics-2205.00105"/></url>
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<url><loc>https://scifaro.com/en/abs/cavity-induced-non-adiabatic-dynamics-and-spectroscopy-of-molecular-rovibrational-polaritons-studied-by-multi-mode-quantum-models-2205.00945</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cavity-induced-non-adiabatic-dynamics-and-spectroscopy-of-molecular-rovibrational-polaritons-studied-by-multi-mode-quantum-models-2205.00945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cavity-induced-non-adiabatic-dynamics-and-spectroscopy-of-molecular-rovibrational-polaritons-studied-by-multi-mode-quantum-models-2205.00945"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-manifolds-of-quasi-constant-soap-and-acsf-fingerprints-and-the-resulting-failure-to-machine-learn-four-body-interactions-2205.01062</loc><lastmod>2022-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-manifolds-of-quasi-constant-soap-and-acsf-fingerprints-and-the-resulting-failure-to-machine-learn-four-body-interactions-2205.01062"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-manifolds-of-quasi-constant-soap-and-acsf-fingerprints-and-the-resulting-failure-to-machine-learn-four-body-interactions-2205.01062"/></url>
<url><loc>https://scifaro.com/en/abs/catalysis-for-e-chemistry-need-and-gaps-for-a-future-de-fossilized-chemical-production-with-focus-on-the-role-of-complex-direct-syntheses-by-electrocatalysis-2205.01077</loc><lastmod>2022-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catalysis-for-e-chemistry-need-and-gaps-for-a-future-de-fossilized-chemical-production-with-focus-on-the-role-of-complex-direct-syntheses-by-electrocatalysis-2205.01077"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catalysis-for-e-chemistry-need-and-gaps-for-a-future-de-fossilized-chemical-production-with-focus-on-the-role-of-complex-direct-syntheses-by-electrocatalysis-2205.01077"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-bonding-in-many-electron-molecules-2205.01078</loc><lastmod>2022-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-bonding-in-many-electron-molecules-2205.01078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-bonding-in-many-electron-molecules-2205.01078"/></url>
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<url><loc>https://scifaro.com/en/abs/ph-jumps-in-a-protic-ionic-liquid-proceed-by-vehicular-proton-transport-2205.06210</loc><lastmod>2022-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ph-jumps-in-a-protic-ionic-liquid-proceed-by-vehicular-proton-transport-2205.06210"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ph-jumps-in-a-protic-ionic-liquid-proceed-by-vehicular-proton-transport-2205.06210"/></url>
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<url><loc>https://scifaro.com/en/abs/sample-size-dependence-of-tagged-molecule-dynamics-in-steady-state-networks-with-bimolecular-reactions-cycle-times-of-a-light-driven-pump-2205.06728</loc><lastmod>2022-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sample-size-dependence-of-tagged-molecule-dynamics-in-steady-state-networks-with-bimolecular-reactions-cycle-times-of-a-light-driven-pump-2205.06728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sample-size-dependence-of-tagged-molecule-dynamics-in-steady-state-networks-with-bimolecular-reactions-cycle-times-of-a-light-driven-pump-2205.06728"/></url>
<url><loc>https://scifaro.com/en/abs/effects-of-compressibility-and-wetting-on-the-liquid-vapor-transition-in-a-confined-fluid-2205.06848</loc><lastmod>2023-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effects-of-compressibility-and-wetting-on-the-liquid-vapor-transition-in-a-confined-fluid-2205.06848"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effects-of-compressibility-and-wetting-on-the-liquid-vapor-transition-in-a-confined-fluid-2205.06848"/></url>
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<url><loc>https://scifaro.com/en/abs/cholesky-decomposition-of-two-electron-integrals-in-quantum-chemical-calculations-with-perturbative-or-finite-magnetic-fields-using-gauge-including-atomic-orbitals-2205.07035</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cholesky-decomposition-of-two-electron-integrals-in-quantum-chemical-calculations-with-perturbative-or-finite-magnetic-fields-using-gauge-including-atomic-orbitals-2205.07035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cholesky-decomposition-of-two-electron-integrals-in-quantum-chemical-calculations-with-perturbative-or-finite-magnetic-fields-using-gauge-including-atomic-orbitals-2205.07035"/></url>
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<url><loc>https://scifaro.com/en/abs/effective-charged-exterior-surfaces-for-enhanced-ionic-diffusion-through-nanopores-under-salt-gradients-2206.03055</loc><lastmod>2022-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effective-charged-exterior-surfaces-for-enhanced-ionic-diffusion-through-nanopores-under-salt-gradients-2206.03055"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effective-charged-exterior-surfaces-for-enhanced-ionic-diffusion-through-nanopores-under-salt-gradients-2206.03055"/></url>
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<url><loc>https://scifaro.com/en/abs/exploring-accurate-potential-energy-surfaces-via-integrating-variational-quantum-eigensovler-with-machine-learning-2206.03637</loc><lastmod>2022-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-accurate-potential-energy-surfaces-via-integrating-variational-quantum-eigensovler-with-machine-learning-2206.03637"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-accurate-potential-energy-surfaces-via-integrating-variational-quantum-eigensovler-with-machine-learning-2206.03637"/></url>
<url><loc>https://scifaro.com/en/abs/probing-nonadiabatic-dynamics-with-attosecond-pulse-trains-and-soft-x-ray-raman-spectroscopy-2206.03829</loc><lastmod>2022-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-nonadiabatic-dynamics-with-attosecond-pulse-trains-and-soft-x-ray-raman-spectroscopy-2206.03829"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-nonadiabatic-dynamics-with-attosecond-pulse-trains-and-soft-x-ray-raman-spectroscopy-2206.03829"/></url>
<url><loc>https://scifaro.com/en/abs/lithium-ion-battery-electrode-manufacturing-model-accounting-for-3d-realistic-shapes-of-active-material-particles-2206.03969</loc><lastmod>2022-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lithium-ion-battery-electrode-manufacturing-model-accounting-for-3d-realistic-shapes-of-active-material-particles-2206.03969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lithium-ion-battery-electrode-manufacturing-model-accounting-for-3d-realistic-shapes-of-active-material-particles-2206.03969"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-independent-non-linear-terahertz-transmission-by-liquid-water-2206.03998</loc><lastmod>2022-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-independent-non-linear-terahertz-transmission-by-liquid-water-2206.03998"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-independent-non-linear-terahertz-transmission-by-liquid-water-2206.03998"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-transition-paths-from-quantum-jump-trajectories-2206.04018</loc><lastmod>2022-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-transition-paths-from-quantum-jump-trajectories-2206.04018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-transition-paths-from-quantum-jump-trajectories-2206.04018"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-photoelectron-circular-dichroism-of-chemical-reactions-2206.04099</loc><lastmod>2022-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-photoelectron-circular-dichroism-of-chemical-reactions-2206.04099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-photoelectron-circular-dichroism-of-chemical-reactions-2206.04099"/></url>
<url><loc>https://scifaro.com/en/abs/a-delta-machine-learning-approach-for-force-fields-illustrated-by-a-ccsd-t-4-body-correction-to-the-mb-pol-water-potential-2206.04254</loc><lastmod>2024-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-delta-machine-learning-approach-for-force-fields-illustrated-by-a-ccsd-t-4-body-correction-to-the-mb-pol-water-potential-2206.04254"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-delta-machine-learning-approach-for-force-fields-illustrated-by-a-ccsd-t-4-body-correction-to-the-mb-pol-water-potential-2206.04254"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-computational-methods-for-rovibrational-transition-rates-in-molecular-collisions-2206.04470</loc><lastmod>2022-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-computational-methods-for-rovibrational-transition-rates-in-molecular-collisions-2206.04470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-computational-methods-for-rovibrational-transition-rates-in-molecular-collisions-2206.04470"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-core-electron-binding-energies-of-halogenated-species-adsorbed-on-ice-surfaces-and-in-solution-with-relativistic-quantum-embedding-calculations-2206.04748</loc><lastmod>2023-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-core-electron-binding-energies-of-halogenated-species-adsorbed-on-ice-surfaces-and-in-solution-with-relativistic-quantum-embedding-calculations-2206.04748"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-core-electron-binding-energies-of-halogenated-species-adsorbed-on-ice-surfaces-and-in-solution-with-relativistic-quantum-embedding-calculations-2206.04748"/></url>
<url><loc>https://scifaro.com/en/abs/radiative-emission-of-polaritons-controlled-by-light-induced-geometric-phase-2206.04998</loc><lastmod>2022-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/radiative-emission-of-polaritons-controlled-by-light-induced-geometric-phase-2206.04998"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/radiative-emission-of-polaritons-controlled-by-light-induced-geometric-phase-2206.04998"/></url>
<url><loc>https://scifaro.com/en/abs/probing-disorder-in-2czpn-using-core-and-valence-states-2206.05007</loc><lastmod>2022-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-disorder-in-2czpn-using-core-and-valence-states-2206.05007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-disorder-in-2czpn-using-core-and-valence-states-2206.05007"/></url>
<url><loc>https://scifaro.com/en/abs/extemporaneous-mechanochemistry-shockwave-induced-ultrafast-chemical-reactions-due-to-intramolecular-strain-energy-2206.05044</loc><lastmod>2022-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extemporaneous-mechanochemistry-shockwave-induced-ultrafast-chemical-reactions-due-to-intramolecular-strain-energy-2206.05044"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extemporaneous-mechanochemistry-shockwave-induced-ultrafast-chemical-reactions-due-to-intramolecular-strain-energy-2206.05044"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-scaling-double-hybrid-dft-with-rapid-basis-set-convergence-through-localized-pair-natural-orbital-f12-2206.05072</loc><lastmod>2022-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-scaling-double-hybrid-dft-with-rapid-basis-set-convergence-through-localized-pair-natural-orbital-f12-2206.05072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-scaling-double-hybrid-dft-with-rapid-basis-set-convergence-through-localized-pair-natural-orbital-f12-2206.05072"/></url>
<url><loc>https://scifaro.com/en/abs/a-single-particle-model-with-electrolyte-and-side-reactions-for-degradation-of-lithium-ion-batteries-2206.05078</loc><lastmod>2023-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-single-particle-model-with-electrolyte-and-side-reactions-for-degradation-of-lithium-ion-batteries-2206.05078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-single-particle-model-with-electrolyte-and-side-reactions-for-degradation-of-lithium-ion-batteries-2206.05078"/></url>
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<url><loc>https://scifaro.com/en/abs/an-experimentally-validated-3d-electrochemical-model-revealing-electrode-manufacturing-parameters-effects-on-battery-performance-2206.05744</loc><lastmod>2022-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-experimentally-validated-3d-electrochemical-model-revealing-electrode-manufacturing-parameters-effects-on-battery-performance-2206.05744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-experimentally-validated-3d-electrochemical-model-revealing-electrode-manufacturing-parameters-effects-on-battery-performance-2206.05744"/></url>
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<url><loc>https://scifaro.com/en/abs/efficient-photon-upconversion-enabled-by-strong-coupling-between-organic-molecules-and-quantum-dots-2206.14370</loc><lastmod>2023-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-photon-upconversion-enabled-by-strong-coupling-between-organic-molecules-and-quantum-dots-2206.14370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-photon-upconversion-enabled-by-strong-coupling-between-organic-molecules-and-quantum-dots-2206.14370"/></url>
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<url><loc>https://scifaro.com/en/abs/computer-simulation-of-the-early-stages-of-self-assembly-and-thermal-decomposition-of-zif-8-2206.14765</loc><lastmod>2022-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computer-simulation-of-the-early-stages-of-self-assembly-and-thermal-decomposition-of-zif-8-2206.14765"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computer-simulation-of-the-early-stages-of-self-assembly-and-thermal-decomposition-of-zif-8-2206.14765"/></url>
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<url><loc>https://scifaro.com/en/abs/combining-renormalized-singles-gw-methods-with-the-bethe-salpeter-equation-for-accurate-neutral-excitation-energies-2206.15034</loc><lastmod>2022-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-renormalized-singles-gw-methods-with-the-bethe-salpeter-equation-for-accurate-neutral-excitation-energies-2206.15034"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-renormalized-singles-gw-methods-with-the-bethe-salpeter-equation-for-accurate-neutral-excitation-energies-2206.15034"/></url>
<url><loc>https://scifaro.com/en/abs/core-excited-states-of-sf-6-probed-with-soft-x-ray-femtosecond-transient-absorption-of-vibrational-wavepackets-2206.15125</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/core-excited-states-of-sf-6-probed-with-soft-x-ray-femtosecond-transient-absorption-of-vibrational-wavepackets-2206.15125"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/core-excited-states-of-sf-6-probed-with-soft-x-ray-femtosecond-transient-absorption-of-vibrational-wavepackets-2206.15125"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-with-conformationally-dependent-distributed-charges-2206.15366</loc><lastmod>2022-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-with-conformationally-dependent-distributed-charges-2206.15366"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-with-conformationally-dependent-distributed-charges-2206.15366"/></url>
<url><loc>https://scifaro.com/en/abs/a-t-correction-for-multicomponent-coupled-cluster-theory-2206.15388</loc><lastmod>2022-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-t-correction-for-multicomponent-coupled-cluster-theory-2206.15388"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-t-correction-for-multicomponent-coupled-cluster-theory-2206.15388"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-spin-dependent-nonadiabatic-dynamics-with-electronic-degeneracy-a-phase-space-surface-hopping-method-2206.15406</loc><lastmod>2022-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-spin-dependent-nonadiabatic-dynamics-with-electronic-degeneracy-a-phase-space-surface-hopping-method-2206.15406"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-spin-dependent-nonadiabatic-dynamics-with-electronic-degeneracy-a-phase-space-surface-hopping-method-2206.15406"/></url>
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<url><loc>https://scifaro.com/en/abs/cation-dependent-nonadiabaticity-in-proton-coupled-electron-transfer-at-electrified-solid-liquid-interfaces-2207.00138</loc><lastmod>2022-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cation-dependent-nonadiabaticity-in-proton-coupled-electron-transfer-at-electrified-solid-liquid-interfaces-2207.00138"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cation-dependent-nonadiabaticity-in-proton-coupled-electron-transfer-at-electrified-solid-liquid-interfaces-2207.00138"/></url>
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<url><loc>https://scifaro.com/en/abs/high-sensitivity-real-time-vocs-monitoring-in-air-through-ftir-spectroscopy-using-a-multipass-gas-cell-setup-2207.00340</loc><lastmod>2022-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-sensitivity-real-time-vocs-monitoring-in-air-through-ftir-spectroscopy-using-a-multipass-gas-cell-setup-2207.00340"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-sensitivity-real-time-vocs-monitoring-in-air-through-ftir-spectroscopy-using-a-multipass-gas-cell-setup-2207.00340"/></url>
<url><loc>https://scifaro.com/en/abs/combining-localized-orbital-scaling-correction-and-bethe-salpeter-equation-for-accurate-excitation-energies-2207.00508</loc><lastmod>2022-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-localized-orbital-scaling-correction-and-bethe-salpeter-equation-for-accurate-excitation-energies-2207.00508"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-localized-orbital-scaling-correction-and-bethe-salpeter-equation-for-accurate-excitation-energies-2207.00508"/></url>
<url><loc>https://scifaro.com/en/abs/mechanistic-insights-into-water-autoionization-2207.01162</loc><lastmod>2023-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanistic-insights-into-water-autoionization-2207.01162"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanistic-insights-into-water-autoionization-2207.01162"/></url>
<url><loc>https://scifaro.com/en/abs/resolving-vibrations-in-a-polyatomic-molecule-with-femtometer-precision-2207.01290</loc><lastmod>2022-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resolving-vibrations-in-a-polyatomic-molecule-with-femtometer-precision-2207.01290"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resolving-vibrations-in-a-polyatomic-molecule-with-femtometer-precision-2207.01290"/></url>
<url><loc>https://scifaro.com/en/abs/high-throughput-property-driven-generative-design-of-functional-organic-molecules-2207.01476</loc><lastmod>2023-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-throughput-property-driven-generative-design-of-functional-organic-molecules-2207.01476"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-throughput-property-driven-generative-design-of-functional-organic-molecules-2207.01476"/></url>
<url><loc>https://scifaro.com/en/abs/some-problems-in-density-functional-theory-2207.02213</loc><lastmod>2023-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/some-problems-in-density-functional-theory-2207.02213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/some-problems-in-density-functional-theory-2207.02213"/></url>
<url><loc>https://scifaro.com/en/abs/mathematical-model-for-chemical-reactions-in-electrolyte-applied-to-cytochrome-c-oxidase-an-electro-osmotic-approach-2207.02215</loc><lastmod>2022-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathematical-model-for-chemical-reactions-in-electrolyte-applied-to-cytochrome-c-oxidase-an-electro-osmotic-approach-2207.02215"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathematical-model-for-chemical-reactions-in-electrolyte-applied-to-cytochrome-c-oxidase-an-electro-osmotic-approach-2207.02215"/></url>
<url><loc>https://scifaro.com/en/abs/bulk-viscosity-of-dilute-monatomic-gases-2207.02217</loc><lastmod>2022-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bulk-viscosity-of-dilute-monatomic-gases-2207.02217"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bulk-viscosity-of-dilute-monatomic-gases-2207.02217"/></url>
<url><loc>https://scifaro.com/en/abs/overpotential-decomposition-enabled-decoupling-of-complex-kinetic-processes-in-battery-electrodes-2207.02413</loc><lastmod>2022-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/overpotential-decomposition-enabled-decoupling-of-complex-kinetic-processes-in-battery-electrodes-2207.02413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/overpotential-decomposition-enabled-decoupling-of-complex-kinetic-processes-in-battery-electrodes-2207.02413"/></url>
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<url><loc>https://scifaro.com/en/abs/a-continuous-approach-to-floquet-theory-for-pulse-sequence-optimization-in-solid-state-nmr-2207.05522</loc><lastmod>2022-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-continuous-approach-to-floquet-theory-for-pulse-sequence-optimization-in-solid-state-nmr-2207.05522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-continuous-approach-to-floquet-theory-for-pulse-sequence-optimization-in-solid-state-nmr-2207.05522"/></url>
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<url><loc>https://scifaro.com/en/abs/microwave-free-j-driven-dnp-mf-jdnp-a-proposal-for-enhancing-the-sensitivity-of-solution-state-nmr-2207.05996</loc><lastmod>2023-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microwave-free-j-driven-dnp-mf-jdnp-a-proposal-for-enhancing-the-sensitivity-of-solution-state-nmr-2207.05996"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microwave-free-j-driven-dnp-mf-jdnp-a-proposal-for-enhancing-the-sensitivity-of-solution-state-nmr-2207.05996"/></url>
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<url><loc>https://scifaro.com/en/abs/renormalized-singles-with-correlation-in-gw-green-s-function-theory-for-accurate-quasiparticle-energies-2207.06520</loc><lastmod>2022-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/renormalized-singles-with-correlation-in-gw-green-s-function-theory-for-accurate-quasiparticle-energies-2207.06520"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/renormalized-singles-with-correlation-in-gw-green-s-function-theory-for-accurate-quasiparticle-energies-2207.06520"/></url>
<url><loc>https://scifaro.com/en/abs/selectivity-in-single-molecule-reactions-by-tip-induced-redox-chemistry-2207.06662</loc><lastmod>2022-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selectivity-in-single-molecule-reactions-by-tip-induced-redox-chemistry-2207.06662"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selectivity-in-single-molecule-reactions-by-tip-induced-redox-chemistry-2207.06662"/></url>
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<url><loc>https://scifaro.com/en/abs/investigation-of-the-electronic-structure-of-biphenylene-ribbons-of-the-armchair-type-2207.07359</loc><lastmod>2022-07-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-the-electronic-structure-of-biphenylene-ribbons-of-the-armchair-type-2207.07359"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-the-electronic-structure-of-biphenylene-ribbons-of-the-armchair-type-2207.07359"/></url>
<url><loc>https://scifaro.com/en/abs/learning-inducing-points-and-uncertainty-on-molecular-data-by-scalable-variational-gaussian-processes-2207.07654</loc><lastmod>2024-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-inducing-points-and-uncertainty-on-molecular-data-by-scalable-variational-gaussian-processes-2207.07654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-inducing-points-and-uncertainty-on-molecular-data-by-scalable-variational-gaussian-processes-2207.07654"/></url>
<url><loc>https://scifaro.com/en/abs/interatomic-force-from-neural-network-based-variational-quantum-monte-carlo-2207.07810</loc><lastmod>2022-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interatomic-force-from-neural-network-based-variational-quantum-monte-carlo-2207.07810"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interatomic-force-from-neural-network-based-variational-quantum-monte-carlo-2207.07810"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-ultradense-protium-p-0-and-deuterium-d-0-and-their-relation-to-ordinary-rydberg-matter-a-review-2019-physica-scripta-94-075005-2207.08133</loc><lastmod>2022-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-ultradense-protium-p-0-and-deuterium-d-0-and-their-relation-to-ordinary-rydberg-matter-a-review-2019-physica-scripta-94-075005-2207.08133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-ultradense-protium-p-0-and-deuterium-d-0-and-their-relation-to-ordinary-rydberg-matter-a-review-2019-physica-scripta-94-075005-2207.08133"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-structure-evolution-and-reaction-intermediates-at-the-gate-tunable-suspended-graphene-electrolyte-interface-2207.08149</loc><lastmod>2022-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-structure-evolution-and-reaction-intermediates-at-the-gate-tunable-suspended-graphene-electrolyte-interface-2207.08149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-structure-evolution-and-reaction-intermediates-at-the-gate-tunable-suspended-graphene-electrolyte-interface-2207.08149"/></url>
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<url><loc>https://scifaro.com/en/abs/molecular-orbital-based-machine-learning-for-open-shell-and-multi-reference-systems-with-kernel-addition-gaussian-process-regression-2207.08317</loc><lastmod>2024-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-orbital-based-machine-learning-for-open-shell-and-multi-reference-systems-with-kernel-addition-gaussian-process-regression-2207.08317"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-orbital-based-machine-learning-for-open-shell-and-multi-reference-systems-with-kernel-addition-gaussian-process-regression-2207.08317"/></url>
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<url><loc>https://scifaro.com/en/abs/long-lived-states-of-methylene-protons-in-achiral-molecules-2207.08608</loc><lastmod>2022-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-lived-states-of-methylene-protons-in-achiral-molecules-2207.08608"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-lived-states-of-methylene-protons-in-achiral-molecules-2207.08608"/></url>
<url><loc>https://scifaro.com/en/abs/a-low-cost-four-component-relativistic-equation-of-motion-coupled-cluster-method-based-on-frozen-natural-spinors-theory-implementation-and-benchmark-2207.08627</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-low-cost-four-component-relativistic-equation-of-motion-coupled-cluster-method-based-on-frozen-natural-spinors-theory-implementation-and-benchmark-2207.08627"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-low-cost-four-component-relativistic-equation-of-motion-coupled-cluster-method-based-on-frozen-natural-spinors-theory-implementation-and-benchmark-2207.08627"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopy-from-machine-learning-by-accurately-representing-the-atomic-polar-tensor-2207.08661</loc><lastmod>2023-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopy-from-machine-learning-by-accurately-representing-the-atomic-polar-tensor-2207.08661"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopy-from-machine-learning-by-accurately-representing-the-atomic-polar-tensor-2207.08661"/></url>
<url><loc>https://scifaro.com/en/abs/active-spaces-and-non-orthogonal-configuration-interaction-approaches-for-investigating-molecules-on-metal-surfaces-2207.08727</loc><lastmod>2022-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/active-spaces-and-non-orthogonal-configuration-interaction-approaches-for-investigating-molecules-on-metal-surfaces-2207.08727"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/active-spaces-and-non-orthogonal-configuration-interaction-approaches-for-investigating-molecules-on-metal-surfaces-2207.08727"/></url>
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<url><loc>https://scifaro.com/en/abs/exploring-the-configurational-space-of-amorphous-graphene-with-machine-learned-atomic-energies-2207.09423</loc><lastmod>2023-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-configurational-space-of-amorphous-graphene-with-machine-learned-atomic-energies-2207.09423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-configurational-space-of-amorphous-graphene-with-machine-learned-atomic-energies-2207.09423"/></url>
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<url><loc>https://scifaro.com/en/abs/parity-violating-nuclear-spin-rotation-and-nmr-shielding-tensors-in-tetrahedral-molecules-2208.05458</loc><lastmod>2022-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parity-violating-nuclear-spin-rotation-and-nmr-shielding-tensors-in-tetrahedral-molecules-2208.05458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parity-violating-nuclear-spin-rotation-and-nmr-shielding-tensors-in-tetrahedral-molecules-2208.05458"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-for-fractional-charge-locality-size-consistency-and-exchange-correlation-2208.05459</loc><lastmod>2024-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-for-fractional-charge-locality-size-consistency-and-exchange-correlation-2208.05459"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-for-fractional-charge-locality-size-consistency-and-exchange-correlation-2208.05459"/></url>
<url><loc>https://scifaro.com/en/abs/explicit-solute-implicit-solvent-molecular-simulation-with-binary-level-set-adaptive-mobility-and-gpu-2208.05524</loc><lastmod>2022-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/explicit-solute-implicit-solvent-molecular-simulation-with-binary-level-set-adaptive-mobility-and-gpu-2208.05524"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/explicit-solute-implicit-solvent-molecular-simulation-with-binary-level-set-adaptive-mobility-and-gpu-2208.05524"/></url>
<url><loc>https://scifaro.com/en/abs/inferring-equilibrium-transition-rates-from-nonequilibrium-protocols-2208.05585</loc><lastmod>2023-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inferring-equilibrium-transition-rates-from-nonequilibrium-protocols-2208.05585"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inferring-equilibrium-transition-rates-from-nonequilibrium-protocols-2208.05585"/></url>
<url><loc>https://scifaro.com/en/abs/scalable-neural-quantum-states-architecture-for-quantum-chemistry-2208.05637</loc><lastmod>2022-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scalable-neural-quantum-states-architecture-for-quantum-chemistry-2208.05637"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scalable-neural-quantum-states-architecture-for-quantum-chemistry-2208.05637"/></url>
<url><loc>https://scifaro.com/en/abs/energetic-variational-approach-for-prediction-of-thermal-electrokinetics-in-charging-and-discharging-processes-of-electrical-double-layer-capacitors-2208.06121</loc><lastmod>2022-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energetic-variational-approach-for-prediction-of-thermal-electrokinetics-in-charging-and-discharging-processes-of-electrical-double-layer-capacitors-2208.06121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energetic-variational-approach-for-prediction-of-thermal-electrokinetics-in-charging-and-discharging-processes-of-electrical-double-layer-capacitors-2208.06121"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dynamics-using-path-integral-coarse-graining-2208.06205</loc><lastmod>2022-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamics-using-path-integral-coarse-graining-2208.06205"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamics-using-path-integral-coarse-graining-2208.06205"/></url>
<url><loc>https://scifaro.com/en/abs/binding-energies-of-molecular-solids-from-fragment-and-periodic-approaches-2208.06221</loc><lastmod>2022-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binding-energies-of-molecular-solids-from-fragment-and-periodic-approaches-2208.06221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binding-energies-of-molecular-solids-from-fragment-and-periodic-approaches-2208.06221"/></url>
<url><loc>https://scifaro.com/en/abs/kinetic-energy-density-for-open-shell-systems-analysis-and-development-of-a-novel-technique-2208.06256</loc><lastmod>2022-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetic-energy-density-for-open-shell-systems-analysis-and-development-of-a-novel-technique-2208.06256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetic-energy-density-for-open-shell-systems-analysis-and-development-of-a-novel-technique-2208.06256"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-classical-reaction-rate-and-the-first-time-problems-of-brownian-motion-2208.06667</loc><lastmod>2023-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-classical-reaction-rate-and-the-first-time-problems-of-brownian-motion-2208.06667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-classical-reaction-rate-and-the-first-time-problems-of-brownian-motion-2208.06667"/></url>
<url><loc>https://scifaro.com/en/abs/solving-the-schr-odinger-equation-in-the-configuration-space-with-generative-machine-learning-2208.06708</loc><lastmod>2022-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solving-the-schr-odinger-equation-in-the-configuration-space-with-generative-machine-learning-2208.06708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solving-the-schr-odinger-equation-in-the-configuration-space-with-generative-machine-learning-2208.06708"/></url>
<url><loc>https://scifaro.com/en/abs/reliable-emulation-of-complex-functionals-by-active-learning-with-error-control-2208.06727</loc><lastmod>2024-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reliable-emulation-of-complex-functionals-by-active-learning-with-error-control-2208.06727"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reliable-emulation-of-complex-functionals-by-active-learning-with-error-control-2208.06727"/></url>
<url><loc>https://scifaro.com/en/abs/catalysis-in-click-chemistry-reactions-controlled-by-cavity-quantum-vacuum-fluctuations-the-case-of-endo-exo-diels-alder-reaction-2208.06925</loc><lastmod>2022-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catalysis-in-click-chemistry-reactions-controlled-by-cavity-quantum-vacuum-fluctuations-the-case-of-endo-exo-diels-alder-reaction-2208.06925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catalysis-in-click-chemistry-reactions-controlled-by-cavity-quantum-vacuum-fluctuations-the-case-of-endo-exo-diels-alder-reaction-2208.06925"/></url>
<url><loc>https://scifaro.com/en/abs/current-rectification-by-nanoparticles-in-bipolar-nanopores-2208.07176</loc><lastmod>2022-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/current-rectification-by-nanoparticles-in-bipolar-nanopores-2208.07176"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/current-rectification-by-nanoparticles-in-bipolar-nanopores-2208.07176"/></url>
<url><loc>https://scifaro.com/en/abs/periodic-coupled-cluster-green-s-function-for-photoemission-spectra-of-realistic-solids-2208.07478</loc><lastmod>2022-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/periodic-coupled-cluster-green-s-function-for-photoemission-spectra-of-realistic-solids-2208.07478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/periodic-coupled-cluster-green-s-function-for-photoemission-spectra-of-realistic-solids-2208.07478"/></url>
<url><loc>https://scifaro.com/en/abs/unified-definition-of-exciton-coherence-length-for-exciton-phonon-coupled-molecular-aggregates-2208.07505</loc><lastmod>2022-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unified-definition-of-exciton-coherence-length-for-exciton-phonon-coupled-molecular-aggregates-2208.07505"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unified-definition-of-exciton-coherence-length-for-exciton-phonon-coupled-molecular-aggregates-2208.07505"/></url>
<url><loc>https://scifaro.com/en/abs/hcl-dcl-and-tcl-diatomic-molecules-in-their-ground-state-predicting-born-oppenheimer-rovibrational-spectra-2208.07895</loc><lastmod>2023-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hcl-dcl-and-tcl-diatomic-molecules-in-their-ground-state-predicting-born-oppenheimer-rovibrational-spectra-2208.07895"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hcl-dcl-and-tcl-diatomic-molecules-in-their-ground-state-predicting-born-oppenheimer-rovibrational-spectra-2208.07895"/></url>
<url><loc>https://scifaro.com/en/abs/centroid-molecular-dynamics-can-be-greatly-accelerated-through-neural-network-learned-centroid-forces-derived-from-path-integral-molecular-dynamics-2208.07973</loc><lastmod>2022-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/centroid-molecular-dynamics-can-be-greatly-accelerated-through-neural-network-learned-centroid-forces-derived-from-path-integral-molecular-dynamics-2208.07973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/centroid-molecular-dynamics-can-be-greatly-accelerated-through-neural-network-learned-centroid-forces-derived-from-path-integral-molecular-dynamics-2208.07973"/></url>
<url><loc>https://scifaro.com/en/abs/why-ortho-and-para-hydroxy-metabolites-can-scavenge-free-radicals-that-the-parent-atorvastatin-cannot-important-pharmacologic-insight-from-quantum-chemistry-2208.07987</loc><lastmod>2022-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/why-ortho-and-para-hydroxy-metabolites-can-scavenge-free-radicals-that-the-parent-atorvastatin-cannot-important-pharmacologic-insight-from-quantum-chemistry-2208.07987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/why-ortho-and-para-hydroxy-metabolites-can-scavenge-free-radicals-that-the-parent-atorvastatin-cannot-important-pharmacologic-insight-from-quantum-chemistry-2208.07987"/></url>
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<url><loc>https://scifaro.com/en/abs/robust-and-scalable-uncertainty-estimation-with-conformal-prediction-for-machine-learned-interatomic-potentials-2208.08337</loc><lastmod>2022-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-and-scalable-uncertainty-estimation-with-conformal-prediction-for-machine-learned-interatomic-potentials-2208.08337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-and-scalable-uncertainty-estimation-with-conformal-prediction-for-machine-learned-interatomic-potentials-2208.08337"/></url>
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<url><loc>https://scifaro.com/en/abs/algorithmic-differentiation-for-automated-modeling-of-machine-learned-force-fields-2208.12104</loc><lastmod>2022-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/algorithmic-differentiation-for-automated-modeling-of-machine-learned-force-fields-2208.12104"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/algorithmic-differentiation-for-automated-modeling-of-machine-learned-force-fields-2208.12104"/></url>
<url><loc>https://scifaro.com/en/abs/the-parallel-transported-quasi-diabatic-basis-2208.12287</loc><lastmod>2022-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-parallel-transported-quasi-diabatic-basis-2208.12287"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-parallel-transported-quasi-diabatic-basis-2208.12287"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-quantum-chemistry-with-neural-network-wavefunctions-2208.12590</loc><lastmod>2023-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-quantum-chemistry-with-neural-network-wavefunctions-2208.12590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-quantum-chemistry-with-neural-network-wavefunctions-2208.12590"/></url>
<url><loc>https://scifaro.com/en/abs/downfolded-configuration-interaction-for-chemically-accurate-electron-correlation-2208.13048</loc><lastmod>2022-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/downfolded-configuration-interaction-for-chemically-accurate-electron-correlation-2208.13048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/downfolded-configuration-interaction-for-chemically-accurate-electron-correlation-2208.13048"/></url>
<url><loc>https://scifaro.com/en/abs/geometries-interaction-energies-and-bonding-in-po-h-2-o-n-4-and-pocl-n-4-n-complexes-2208.13570</loc><lastmod>2022-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometries-interaction-energies-and-bonding-in-po-h-2-o-n-4-and-pocl-n-4-n-complexes-2208.13570"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometries-interaction-energies-and-bonding-in-po-h-2-o-n-4-and-pocl-n-4-n-complexes-2208.13570"/></url>
<url><loc>https://scifaro.com/en/abs/manifestations-of-the-structural-origin-of-supercooled-water-s-anomalies-in-the-heterogeneous-relaxation-on-the-potential-energy-landscape-2208.14078</loc><lastmod>2022-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/manifestations-of-the-structural-origin-of-supercooled-water-s-anomalies-in-the-heterogeneous-relaxation-on-the-potential-energy-landscape-2208.14078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/manifestations-of-the-structural-origin-of-supercooled-water-s-anomalies-in-the-heterogeneous-relaxation-on-the-potential-energy-landscape-2208.14078"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-of-drug-release-from-clay-using-enhanced-sampling-methods-2208.14099</loc><lastmod>2022-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-of-drug-release-from-clay-using-enhanced-sampling-methods-2208.14099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-of-drug-release-from-clay-using-enhanced-sampling-methods-2208.14099"/></url>
<url><loc>https://scifaro.com/en/abs/improving-the-accuracy-of-variational-quantum-eigensolvers-with-fewer-qubits-using-orbital-optimization-2208.14431</loc><lastmod>2023-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-the-accuracy-of-variational-quantum-eigensolvers-with-fewer-qubits-using-orbital-optimization-2208.14431"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-the-accuracy-of-variational-quantum-eigensolvers-with-fewer-qubits-using-orbital-optimization-2208.14431"/></url>
<url><loc>https://scifaro.com/en/abs/chiral-polaritons-based-on-achiral-fabry-perot-cavities-using-apparent-circular-dichroism-2208.14461</loc><lastmod>2022-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chiral-polaritons-based-on-achiral-fabry-perot-cavities-using-apparent-circular-dichroism-2208.14461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chiral-polaritons-based-on-achiral-fabry-perot-cavities-using-apparent-circular-dichroism-2208.14461"/></url>
<url><loc>https://scifaro.com/en/abs/designing-novel-protein-structures-using-sequence-generator-and-alphafold2-2208.14526</loc><lastmod>2022-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/designing-novel-protein-structures-using-sequence-generator-and-alphafold2-2208.14526"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/designing-novel-protein-structures-using-sequence-generator-and-alphafold2-2208.14526"/></url>
<url><loc>https://scifaro.com/en/abs/real-space-mott-anderson-electron-localization-with-long-range-interactions-exact-and-approximate-descriptions-2208.14546</loc><lastmod>2022-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-space-mott-anderson-electron-localization-with-long-range-interactions-exact-and-approximate-descriptions-2208.14546"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-space-mott-anderson-electron-localization-with-long-range-interactions-exact-and-approximate-descriptions-2208.14546"/></url>
<url><loc>https://scifaro.com/en/abs/conformationally-controlled-photochemistry-studied-by-trajectory-surface-hopping-2208.14617</loc><lastmod>2022-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformationally-controlled-photochemistry-studied-by-trajectory-surface-hopping-2208.14617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformationally-controlled-photochemistry-studied-by-trajectory-surface-hopping-2208.14617"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-harmonic-vibrational-frequencies-with-vv10-containing-density-functionals-theory-efficient-implementation-and-benchmark-assessments-2208.14639</loc><lastmod>2023-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-harmonic-vibrational-frequencies-with-vv10-containing-density-functionals-theory-efficient-implementation-and-benchmark-assessments-2208.14639"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-harmonic-vibrational-frequencies-with-vv10-containing-density-functionals-theory-efficient-implementation-and-benchmark-assessments-2208.14639"/></url>
<url><loc>https://scifaro.com/en/abs/approaching-the-basis-set-limit-of-the-drpa-correlation-energy-with-explicitly-correlated-and-projector-augmented-wave-methods-2208.14726</loc><lastmod>2022-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approaching-the-basis-set-limit-of-the-drpa-correlation-energy-with-explicitly-correlated-and-projector-augmented-wave-methods-2208.14726"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approaching-the-basis-set-limit-of-the-drpa-correlation-energy-with-explicitly-correlated-and-projector-augmented-wave-methods-2208.14726"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-photo-ion-probing-of-the-relaxation-dynamics-in-2-thiouracil-2208.14968</loc><lastmod>2022-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-photo-ion-probing-of-the-relaxation-dynamics-in-2-thiouracil-2208.14968"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-photo-ion-probing-of-the-relaxation-dynamics-in-2-thiouracil-2208.14968"/></url>
<url><loc>https://scifaro.com/en/abs/pouch-cells-with-15-silicon-calendar-aged-for-4-years-2209.00138</loc><lastmod>2023-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pouch-cells-with-15-silicon-calendar-aged-for-4-years-2209.00138"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pouch-cells-with-15-silicon-calendar-aged-for-4-years-2209.00138"/></url>
<url><loc>https://scifaro.com/en/abs/barry-carpenter-pioneering-physical-organic-chemist-teacher-mentor-and-friend-2209.00145</loc><lastmod>2022-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/barry-carpenter-pioneering-physical-organic-chemist-teacher-mentor-and-friend-2209.00145"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/barry-carpenter-pioneering-physical-organic-chemist-teacher-mentor-and-friend-2209.00145"/></url>
<url><loc>https://scifaro.com/en/abs/growth-and-photoelectrochemical-study-of-germanium-sulphoselenide-ges-0-25-se-0-75-i2-crystals-2209.00240</loc><lastmod>2022-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/growth-and-photoelectrochemical-study-of-germanium-sulphoselenide-ges-0-25-se-0-75-i2-crystals-2209.00240"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/growth-and-photoelectrochemical-study-of-germanium-sulphoselenide-ges-0-25-se-0-75-i2-crystals-2209.00240"/></url>
<url><loc>https://scifaro.com/en/abs/combining-machine-learning-and-spectroscopy-to-model-reactive-atom-diatom-collisions-2209.00379</loc><lastmod>2023-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-machine-learning-and-spectroscopy-to-model-reactive-atom-diatom-collisions-2209.00379"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-machine-learning-and-spectroscopy-to-model-reactive-atom-diatom-collisions-2209.00379"/></url>
<url><loc>https://scifaro.com/en/abs/making-thermodynamic-models-of-mixtures-predictive-by-machine-learning-matrix-completion-of-pair-interactions-2209.00605</loc><lastmod>2022-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/making-thermodynamic-models-of-mixtures-predictive-by-machine-learning-matrix-completion-of-pair-interactions-2209.00605"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/making-thermodynamic-models-of-mixtures-predictive-by-machine-learning-matrix-completion-of-pair-interactions-2209.00605"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-density-matrices-static-correlation-functions-of-richardson-gaudin-states-without-rapidities-2209.00623</loc><lastmod>2022-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-density-matrices-static-correlation-functions-of-richardson-gaudin-states-without-rapidities-2209.00623"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-density-matrices-static-correlation-functions-of-richardson-gaudin-states-without-rapidities-2209.00623"/></url>
<url><loc>https://scifaro.com/en/abs/2d-block-geminals-a-non-1-orthogonal-and-non-0-seniority-model-with-reduced-computational-complexity-2209.00834</loc><lastmod>2023-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/2d-block-geminals-a-non-1-orthogonal-and-non-0-seniority-model-with-reduced-computational-complexity-2209.00834"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/2d-block-geminals-a-non-1-orthogonal-and-non-0-seniority-model-with-reduced-computational-complexity-2209.00834"/></url>
<url><loc>https://scifaro.com/en/abs/brownian-motion-of-nonlinear-oscillator-in-van-der-waals-trap-2209.00845</loc><lastmod>2022-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/brownian-motion-of-nonlinear-oscillator-in-van-der-waals-trap-2209.00845"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/brownian-motion-of-nonlinear-oscillator-in-van-der-waals-trap-2209.00845"/></url>
<url><loc>https://scifaro.com/en/abs/the-interfacial-structure-of-inp-100-in-contact-with-hcl-and-h-2-so-4-studied-by-reflection-anisotropy-spectroscopy-2209.00927</loc><lastmod>2022-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-interfacial-structure-of-inp-100-in-contact-with-hcl-and-h-2-so-4-studied-by-reflection-anisotropy-spectroscopy-2209.00927"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-interfacial-structure-of-inp-100-in-contact-with-hcl-and-h-2-so-4-studied-by-reflection-anisotropy-spectroscopy-2209.00927"/></url>
<url><loc>https://scifaro.com/en/abs/non-markovianity-between-site-pairs-in-fmo-complex-using-discrete-time-quantum-jump-model-2209.00994</loc><lastmod>2023-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-markovianity-between-site-pairs-in-fmo-complex-using-discrete-time-quantum-jump-model-2209.00994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-markovianity-between-site-pairs-in-fmo-complex-using-discrete-time-quantum-jump-model-2209.00994"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-functional-and-plane-waves-based-ab-initio-molecular-dynamics-study-of-the-aqueous-fe-2-fe-3-redox-reaction-2209.01437</loc><lastmod>2022-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-functional-and-plane-waves-based-ab-initio-molecular-dynamics-study-of-the-aqueous-fe-2-fe-3-redox-reaction-2209.01437"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-functional-and-plane-waves-based-ab-initio-molecular-dynamics-study-of-the-aqueous-fe-2-fe-3-redox-reaction-2209.01437"/></url>
<url><loc>https://scifaro.com/en/abs/local-intermolecular-structure-hydrogen-bonding-and-related-dynamics-in-the-liquid-cis-trans-n-methylformamide-mixture-a-density-functional-theory-based-born-oppenheimer-molecular-dynamics-study-2209.01801</loc><lastmod>2022-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-intermolecular-structure-hydrogen-bonding-and-related-dynamics-in-the-liquid-cis-trans-n-methylformamide-mixture-a-density-functional-theory-based-born-oppenheimer-molecular-dynamics-study-2209.01801"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-intermolecular-structure-hydrogen-bonding-and-related-dynamics-in-the-liquid-cis-trans-n-methylformamide-mixture-a-density-functional-theory-based-born-oppenheimer-molecular-dynamics-study-2209.01801"/></url>
<url><loc>https://scifaro.com/en/abs/identification-of-the-decay-pathway-of-photoexcited-nucleobases-2209.01818</loc><lastmod>2022-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identification-of-the-decay-pathway-of-photoexcited-nucleobases-2209.01818"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identification-of-the-decay-pathway-of-photoexcited-nucleobases-2209.01818"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-parameter-optimization-via-neural-ordinary-differential-equations-2209.01862</loc><lastmod>2022-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-parameter-optimization-via-neural-ordinary-differential-equations-2209.01862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-parameter-optimization-via-neural-ordinary-differential-equations-2209.01862"/></url>
<url><loc>https://scifaro.com/en/abs/a-smooth-basis-for-atomistic-machine-learning-2209.01948</loc><lastmod>2023-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-smooth-basis-for-atomistic-machine-learning-2209.01948"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-smooth-basis-for-atomistic-machine-learning-2209.01948"/></url>
<url><loc>https://scifaro.com/en/abs/strong-coupling-in-chiral-cavities-nonperturbative-framework-for-enantiomer-discrimination-2209.01987</loc><lastmod>2023-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-coupling-in-chiral-cavities-nonperturbative-framework-for-enantiomer-discrimination-2209.01987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-coupling-in-chiral-cavities-nonperturbative-framework-for-enantiomer-discrimination-2209.01987"/></url>
<url><loc>https://scifaro.com/en/abs/bridging-electrochemistry-and-photoelectron-spectroscopy-in-the-context-of-birch-reduction-detachment-energies-and-redox-potentials-of-electron-dielectron-and-benzene-radical-anion-in-liquid-ammonia-2209.02343</loc><lastmod>2022-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bridging-electrochemistry-and-photoelectron-spectroscopy-in-the-context-of-birch-reduction-detachment-energies-and-redox-potentials-of-electron-dielectron-and-benzene-radical-anion-in-liquid-ammonia-2209.02343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bridging-electrochemistry-and-photoelectron-spectroscopy-in-the-context-of-birch-reduction-detachment-energies-and-redox-potentials-of-electron-dielectron-and-benzene-radical-anion-in-liquid-ammonia-2209.02343"/></url>
<url><loc>https://scifaro.com/en/abs/attosecond-metrology-of-2d-charge-distribution-in-molecules-2209.02445</loc><lastmod>2024-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attosecond-metrology-of-2d-charge-distribution-in-molecules-2209.02445"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attosecond-metrology-of-2d-charge-distribution-in-molecules-2209.02445"/></url>
<url><loc>https://scifaro.com/en/abs/a-multimer-embedding-approach-for-molecular-crystals-up-to-harmonic-vibrational-properties-2209.02687</loc><lastmod>2024-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multimer-embedding-approach-for-molecular-crystals-up-to-harmonic-vibrational-properties-2209.02687"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multimer-embedding-approach-for-molecular-crystals-up-to-harmonic-vibrational-properties-2209.02687"/></url>
<url><loc>https://scifaro.com/en/abs/population-trap-in-x-ray-induced-ultrafast-nonadiabatic-dynamics-of-tropone-probed-at-the-o-1-textit-s-pre-edge-2209.02874</loc><lastmod>2022-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/population-trap-in-x-ray-induced-ultrafast-nonadiabatic-dynamics-of-tropone-probed-at-the-o-1-textit-s-pre-edge-2209.02874"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/population-trap-in-x-ray-induced-ultrafast-nonadiabatic-dynamics-of-tropone-probed-at-the-o-1-textit-s-pre-edge-2209.02874"/></url>
<url><loc>https://scifaro.com/en/abs/coordination-chemistry-in-molecular-symmetry-adapted-spin-space-msass-2209.03123</loc><lastmod>2022-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coordination-chemistry-in-molecular-symmetry-adapted-spin-space-msass-2209.03123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coordination-chemistry-in-molecular-symmetry-adapted-spin-space-msass-2209.03123"/></url>
<url><loc>https://scifaro.com/en/abs/sum-of-products-form-of-the-molecular-electronic-hamiltonian-and-application-within-the-mctdh-method-2209.03263</loc><lastmod>2022-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sum-of-products-form-of-the-molecular-electronic-hamiltonian-and-application-within-the-mctdh-method-2209.03263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sum-of-products-form-of-the-molecular-electronic-hamiltonian-and-application-within-the-mctdh-method-2209.03263"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-localized-orbital-coupled-cluster-approaches-for-the-conformational-energies-of-longer-n-alkane-chains-2209.03285</loc><lastmod>2022-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-localized-orbital-coupled-cluster-approaches-for-the-conformational-energies-of-longer-n-alkane-chains-2209.03285"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-localized-orbital-coupled-cluster-approaches-for-the-conformational-energies-of-longer-n-alkane-chains-2209.03285"/></url>
<url><loc>https://scifaro.com/en/abs/high-dimensional-neural-network-potentials-for-accurate-vibrational-frequencies-the-formic-acid-dimer-benchmark-2209.03292</loc><lastmod>2022-12-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-dimensional-neural-network-potentials-for-accurate-vibrational-frequencies-the-formic-acid-dimer-benchmark-2209.03292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-dimensional-neural-network-potentials-for-accurate-vibrational-frequencies-the-formic-acid-dimer-benchmark-2209.03292"/></url>
<url><loc>https://scifaro.com/en/abs/total-lineshape-analysis-of-alpha-tetrahydrofuroic-acid-1-h-nmr-spectra-2209.03708</loc><lastmod>2022-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/total-lineshape-analysis-of-alpha-tetrahydrofuroic-acid-1-h-nmr-spectra-2209.03708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/total-lineshape-analysis-of-alpha-tetrahydrofuroic-acid-1-h-nmr-spectra-2209.03708"/></url>
<url><loc>https://scifaro.com/en/abs/interaction-at-a-distance-xenon-migration-in-mb-2209.03776</loc><lastmod>2023-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interaction-at-a-distance-xenon-migration-in-mb-2209.03776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interaction-at-a-distance-xenon-migration-in-mb-2209.03776"/></url>
<url><loc>https://scifaro.com/en/abs/an-unified-statistical-procedure-to-analyse-irreversible-thermal-curves-2209.03957</loc><lastmod>2022-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-unified-statistical-procedure-to-analyse-irreversible-thermal-curves-2209.03957"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-unified-statistical-procedure-to-analyse-irreversible-thermal-curves-2209.03957"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-electrochemical-impedance-spectroscopy-for-lithium-ion-battery-model-parameterization-2209.03961</loc><lastmod>2023-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-electrochemical-impedance-spectroscopy-for-lithium-ion-battery-model-parameterization-2209.03961"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-electrochemical-impedance-spectroscopy-for-lithium-ion-battery-model-parameterization-2209.03961"/></url>
<url><loc>https://scifaro.com/en/abs/towards-linearly-scaling-and-chemically-accurate-global-machine-learning-force-fields-for-large-molecules-2209.03985</loc><lastmod>2025-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-linearly-scaling-and-chemically-accurate-global-machine-learning-force-fields-for-large-molecules-2209.03985"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-linearly-scaling-and-chemically-accurate-global-machine-learning-force-fields-for-large-molecules-2209.03985"/></url>
<url><loc>https://scifaro.com/en/abs/ipie-a-python-based-auxiliary-field-quantum-monte-carlo-program-with-flexibility-and-efficiency-on-cpus-and-gpus-2209.04015</loc><lastmod>2022-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ipie-a-python-based-auxiliary-field-quantum-monte-carlo-program-with-flexibility-and-efficiency-on-cpus-and-gpus-2209.04015"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ipie-a-python-based-auxiliary-field-quantum-monte-carlo-program-with-flexibility-and-efficiency-on-cpus-and-gpus-2209.04015"/></url>
<url><loc>https://scifaro.com/en/abs/pathfinder-navigating-and-analyzing-chemical-reaction-networks-with-an-efficient-graph-based-approach-2209.04039</loc><lastmod>2022-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pathfinder-navigating-and-analyzing-chemical-reaction-networks-with-an-efficient-graph-based-approach-2209.04039"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pathfinder-navigating-and-analyzing-chemical-reaction-networks-with-an-efficient-graph-based-approach-2209.04039"/></url>
<url><loc>https://scifaro.com/en/abs/spt-nrtl-a-physics-guided-machine-learning-model-to-predict-thermodynamically-consistent-activity-coefficients-2209.04135</loc><lastmod>2023-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spt-nrtl-a-physics-guided-machine-learning-model-to-predict-thermodynamically-consistent-activity-coefficients-2209.04135"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spt-nrtl-a-physics-guided-machine-learning-model-to-predict-thermodynamically-consistent-activity-coefficients-2209.04135"/></url>
<url><loc>https://scifaro.com/en/abs/topical-review-extracting-molecular-frame-photoionization-dynamics-from-experimental-data-2209.04301</loc><lastmod>2024-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topical-review-extracting-molecular-frame-photoionization-dynamics-from-experimental-data-2209.04301"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topical-review-extracting-molecular-frame-photoionization-dynamics-from-experimental-data-2209.04301"/></url>
<url><loc>https://scifaro.com/en/abs/ch-4-cdot-f-revisited-full-dimensional-ab-initio-potential-energy-surface-and-variational-vibrational-states-2209.04306</loc><lastmod>2022-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ch-4-cdot-f-revisited-full-dimensional-ab-initio-potential-energy-surface-and-variational-vibrational-states-2209.04306"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ch-4-cdot-f-revisited-full-dimensional-ab-initio-potential-energy-surface-and-variational-vibrational-states-2209.04306"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-electronic-and-vibrational-ring-opening-dynamics-resolved-with-attosecond-core-level-spectroscopy-2209.04330</loc><lastmod>2024-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-electronic-and-vibrational-ring-opening-dynamics-resolved-with-attosecond-core-level-spectroscopy-2209.04330"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-electronic-and-vibrational-ring-opening-dynamics-resolved-with-attosecond-core-level-spectroscopy-2209.04330"/></url>
<url><loc>https://scifaro.com/en/abs/the-v30-benchmark-set-for-anharmonic-vibrational-frequencies-of-molecular-dimers-2209.04392</loc><lastmod>2024-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-v30-benchmark-set-for-anharmonic-vibrational-frequencies-of-molecular-dimers-2209.04392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-v30-benchmark-set-for-anharmonic-vibrational-frequencies-of-molecular-dimers-2209.04392"/></url>
<url><loc>https://scifaro.com/en/abs/visible-light-driven-c-c-coupling-reaction-of-terminal-alkynes-at-atmospheric-temperature-and-pressure-reaction-conditions-using-hybrid-cu2o-pd-nanostructures-2209.04568</loc><lastmod>2022-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visible-light-driven-c-c-coupling-reaction-of-terminal-alkynes-at-atmospheric-temperature-and-pressure-reaction-conditions-using-hybrid-cu2o-pd-nanostructures-2209.04568"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visible-light-driven-c-c-coupling-reaction-of-terminal-alkynes-at-atmospheric-temperature-and-pressure-reaction-conditions-using-hybrid-cu2o-pd-nanostructures-2209.04568"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-calculation-of-nmr-shielding-constants-using-composite-method-approximations-and-locally-dense-basis-sets-2209.04578</loc><lastmod>2022-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-calculation-of-nmr-shielding-constants-using-composite-method-approximations-and-locally-dense-basis-sets-2209.04578"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-calculation-of-nmr-shielding-constants-using-composite-method-approximations-and-locally-dense-basis-sets-2209.04578"/></url>
<url><loc>https://scifaro.com/en/abs/overcoming-artificial-multipoles-in-intramolecular-symmetry-adapted-perturbation-theory-2209.04586</loc><lastmod>2022-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/overcoming-artificial-multipoles-in-intramolecular-symmetry-adapted-perturbation-theory-2209.04586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/overcoming-artificial-multipoles-in-intramolecular-symmetry-adapted-perturbation-theory-2209.04586"/></url>
<url><loc>https://scifaro.com/en/abs/local-hydration-control-and-functional-implications-through-s-nitrosylation-of-proteins-kirsten-rat-sarcoma-virus-kras-and-hemoglobin-hb-2209.04688</loc><lastmod>2022-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-hydration-control-and-functional-implications-through-s-nitrosylation-of-proteins-kirsten-rat-sarcoma-virus-kras-and-hemoglobin-hb-2209.04688"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-hydration-control-and-functional-implications-through-s-nitrosylation-of-proteins-kirsten-rat-sarcoma-virus-kras-and-hemoglobin-hb-2209.04688"/></url>
<url><loc>https://scifaro.com/en/abs/electron-attachment-to-dna-the-protective-role-of-amino-acids-2209.04865</loc><lastmod>2023-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-attachment-to-dna-the-protective-role-of-amino-acids-2209.04865"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-attachment-to-dna-the-protective-role-of-amino-acids-2209.04865"/></url>
<url><loc>https://scifaro.com/en/abs/triangle-counting-rule-an-approach-to-forecast-the-magnetic-properties-of-benzenoid-polycyclic-hydrocarbons-2209.05041</loc><lastmod>2023-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/triangle-counting-rule-an-approach-to-forecast-the-magnetic-properties-of-benzenoid-polycyclic-hydrocarbons-2209.05041"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/triangle-counting-rule-an-approach-to-forecast-the-magnetic-properties-of-benzenoid-polycyclic-hydrocarbons-2209.05041"/></url>
<url><loc>https://scifaro.com/en/abs/tailoring-the-acidity-of-liquid-media-with-ionizing-radiation-rethinking-the-acid-base-correlation-beyond-ph-2209.05331</loc><lastmod>2023-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tailoring-the-acidity-of-liquid-media-with-ionizing-radiation-rethinking-the-acid-base-correlation-beyond-ph-2209.05331"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tailoring-the-acidity-of-liquid-media-with-ionizing-radiation-rethinking-the-acid-base-correlation-beyond-ph-2209.05331"/></url>
<url><loc>https://scifaro.com/en/abs/ligand-additivity-relationships-enable-efficient-exploration-of-transition-metal-chemical-space-2209.05412</loc><lastmod>2022-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ligand-additivity-relationships-enable-efficient-exploration-of-transition-metal-chemical-space-2209.05412"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ligand-additivity-relationships-enable-efficient-exploration-of-transition-metal-chemical-space-2209.05412"/></url>
<url><loc>https://scifaro.com/en/abs/a-volume-based-description-of-transport-in-incompressible-liquid-electrolytes-and-its-application-to-ionic-liquids-2209.05769</loc><lastmod>2023-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-volume-based-description-of-transport-in-incompressible-liquid-electrolytes-and-its-application-to-ionic-liquids-2209.05769"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-volume-based-description-of-transport-in-incompressible-liquid-electrolytes-and-its-application-to-ionic-liquids-2209.05769"/></url>
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<url><loc>https://scifaro.com/en/abs/gaussian-based-quasiparticle-self-consistent-gw-for-periodic-systems-2209.06179</loc><lastmod>2022-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-based-quasiparticle-self-consistent-gw-for-periodic-systems-2209.06179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-based-quasiparticle-self-consistent-gw-for-periodic-systems-2209.06179"/></url>
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<url><loc>https://scifaro.com/en/abs/enhanced-excitation-energy-transfer-under-strong-light-matter-coupling-insights-from-multi-scale-molecular-dynamics-simulations-2209.07309</loc><lastmod>2024-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-excitation-energy-transfer-under-strong-light-matter-coupling-insights-from-multi-scale-molecular-dynamics-simulations-2209.07309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-excitation-energy-transfer-under-strong-light-matter-coupling-insights-from-multi-scale-molecular-dynamics-simulations-2209.07309"/></url>
<url><loc>https://scifaro.com/en/abs/the-pnictogen-bond-formation-ability-of-bonded-bismuth-atoms-in-molecular-entities-in-the-crystalline-phase-a-perspective-2209.07319</loc><lastmod>2022-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-pnictogen-bond-formation-ability-of-bonded-bismuth-atoms-in-molecular-entities-in-the-crystalline-phase-a-perspective-2209.07319"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-pnictogen-bond-formation-ability-of-bonded-bismuth-atoms-in-molecular-entities-in-the-crystalline-phase-a-perspective-2209.07319"/></url>
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<url><loc>https://scifaro.com/en/abs/ion-loss-events-in-a-cold-rb-ca-hybrid-trap-photodissociation-black-body-radiation-and-non-radiative-charge-exchange-2209.08008</loc><lastmod>2022-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ion-loss-events-in-a-cold-rb-ca-hybrid-trap-photodissociation-black-body-radiation-and-non-radiative-charge-exchange-2209.08008"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ion-loss-events-in-a-cold-rb-ca-hybrid-trap-photodissociation-black-body-radiation-and-non-radiative-charge-exchange-2209.08008"/></url>
<url><loc>https://scifaro.com/en/abs/exact-quantum-dynamics-developments-for-floppy-molecular-systems-and-complexes-2209.08113</loc><lastmod>2022-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-quantum-dynamics-developments-for-floppy-molecular-systems-and-complexes-2209.08113"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-quantum-dynamics-developments-for-floppy-molecular-systems-and-complexes-2209.08113"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-model-for-the-outcomes-of-collisions-between-exhaled-aerosol-droplets-and-airborne-particulate-matter-towards-an-understanding-of-the-influence-of-air-pollution-on-airborne-viral-transmission-2209.08396</loc><lastmod>2022-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-model-for-the-outcomes-of-collisions-between-exhaled-aerosol-droplets-and-airborne-particulate-matter-towards-an-understanding-of-the-influence-of-air-pollution-on-airborne-viral-transmission-2209.08396"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-model-for-the-outcomes-of-collisions-between-exhaled-aerosol-droplets-and-airborne-particulate-matter-towards-an-understanding-of-the-influence-of-air-pollution-on-airborne-viral-transmission-2209.08396"/></url>
<url><loc>https://scifaro.com/en/abs/low-cost-machine-learning-approach-to-the-prediction-of-transition-metal-phosphor-excited-state-properties-2209.08595</loc><lastmod>2022-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-cost-machine-learning-approach-to-the-prediction-of-transition-metal-phosphor-excited-state-properties-2209.08595"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-cost-machine-learning-approach-to-the-prediction-of-transition-metal-phosphor-excited-state-properties-2209.08595"/></url>
<url><loc>https://scifaro.com/en/abs/an-electro-chemo-mechanical-framework-for-predicting-hydrogen-uptake-in-metals-due-to-aqueous-electrolytes-2209.08635</loc><lastmod>2022-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-electro-chemo-mechanical-framework-for-predicting-hydrogen-uptake-in-metals-due-to-aqueous-electrolytes-2209.08635"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-electro-chemo-mechanical-framework-for-predicting-hydrogen-uptake-in-metals-due-to-aqueous-electrolytes-2209.08635"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-chirality-and-its-monitoring-by-ultrafast-x-ray-pulses-2209.08808</loc><lastmod>2022-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-chirality-and-its-monitoring-by-ultrafast-x-ray-pulses-2209.08808"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-chirality-and-its-monitoring-by-ultrafast-x-ray-pulses-2209.08808"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-dynamics-in-a-continuous-circularly-polarized-laser-field-with-floquet-phase-space-surface-hopping-2209.09046</loc><lastmod>2022-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-dynamics-in-a-continuous-circularly-polarized-laser-field-with-floquet-phase-space-surface-hopping-2209.09046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-dynamics-in-a-continuous-circularly-polarized-laser-field-with-floquet-phase-space-surface-hopping-2209.09046"/></url>
<url><loc>https://scifaro.com/en/abs/the-3d-transition-metal-single-atom-catalysis-for-prominent-adsorption-performance-towards-cr-vi-a-first-principle-study-2209.09096</loc><lastmod>2022-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-3d-transition-metal-single-atom-catalysis-for-prominent-adsorption-performance-towards-cr-vi-a-first-principle-study-2209.09096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-3d-transition-metal-single-atom-catalysis-for-prominent-adsorption-performance-towards-cr-vi-a-first-principle-study-2209.09096"/></url>
<url><loc>https://scifaro.com/en/abs/a-nested-loop-for-simultaneous-model-topology-screening-parameters-estimation-and-identification-of-the-optimal-number-of-experiments-application-to-a-simulated-moving-bed-unit-2209.09133</loc><lastmod>2022-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-nested-loop-for-simultaneous-model-topology-screening-parameters-estimation-and-identification-of-the-optimal-number-of-experiments-application-to-a-simulated-moving-bed-unit-2209.09133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-nested-loop-for-simultaneous-model-topology-screening-parameters-estimation-and-identification-of-the-optimal-number-of-experiments-application-to-a-simulated-moving-bed-unit-2209.09133"/></url>
<url><loc>https://scifaro.com/en/abs/spherical-and-rod-shaped-gold-nanoparticles-for-surface-enhanced-raman-spectroscopy-2209.09164</loc><lastmod>2022-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spherical-and-rod-shaped-gold-nanoparticles-for-surface-enhanced-raman-spectroscopy-2209.09164"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spherical-and-rod-shaped-gold-nanoparticles-for-surface-enhanced-raman-spectroscopy-2209.09164"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-effects-on-electronic-pair-densities-a-perspective-from-the-radial-intracule-and-extracule-probability-densities-2209.09542</loc><lastmod>2022-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-effects-on-electronic-pair-densities-a-perspective-from-the-radial-intracule-and-extracule-probability-densities-2209.09542"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-effects-on-electronic-pair-densities-a-perspective-from-the-radial-intracule-and-extracule-probability-densities-2209.09542"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-catalysis-of-a-click-reaction-in-a-microfluidic-cell-2209.09743</loc><lastmod>2022-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-catalysis-of-a-click-reaction-in-a-microfluidic-cell-2209.09743"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-catalysis-of-a-click-reaction-in-a-microfluidic-cell-2209.09743"/></url>
<url><loc>https://scifaro.com/en/abs/soft-and-transferable-pseudopotentials-from-multi-objective-optimization-2209.09806</loc><lastmod>2022-09-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/soft-and-transferable-pseudopotentials-from-multi-objective-optimization-2209.09806"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/soft-and-transferable-pseudopotentials-from-multi-objective-optimization-2209.09806"/></url>
<url><loc>https://scifaro.com/en/abs/transferable-deep-learning-potential-reveals-intermediate-range-ordering-effects-in-lif-naf-zrf4-molten-salt-2209.09924</loc><lastmod>2022-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transferable-deep-learning-potential-reveals-intermediate-range-ordering-effects-in-lif-naf-zrf4-molten-salt-2209.09924"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transferable-deep-learning-potential-reveals-intermediate-range-ordering-effects-in-lif-naf-zrf4-molten-salt-2209.09924"/></url>
<url><loc>https://scifaro.com/en/abs/charge-separation-in-the-photosystem-ii-reaction-center-resolved-by-multispectral-two-dimensional-electronic-spectroscopy-2209.09992</loc><lastmod>2022-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-separation-in-the-photosystem-ii-reaction-center-resolved-by-multispectral-two-dimensional-electronic-spectroscopy-2209.09992"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-separation-in-the-photosystem-ii-reaction-center-resolved-by-multispectral-two-dimensional-electronic-spectroscopy-2209.09992"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-model-of-the-fluid-system-h2o-co2-nacl-cacl2-at-p-t-parameters-of-the-middle-and-lower-crust-2209.10349</loc><lastmod>2022-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-model-of-the-fluid-system-h2o-co2-nacl-cacl2-at-p-t-parameters-of-the-middle-and-lower-crust-2209.10349"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-model-of-the-fluid-system-h2o-co2-nacl-cacl2-at-p-t-parameters-of-the-middle-and-lower-crust-2209.10349"/></url>
<url><loc>https://scifaro.com/en/abs/simulation-based-inference-of-single-molecule-force-spectroscopy-2209.10392</loc><lastmod>2023-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulation-based-inference-of-single-molecule-force-spectroscopy-2209.10392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulation-based-inference-of-single-molecule-force-spectroscopy-2209.10392"/></url>
<url><loc>https://scifaro.com/en/abs/a-review-of-girsanov-reweighting-and-of-square-root-approximation-for-building-molecular-markov-state-models-2209.10544</loc><lastmod>2022-12-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-review-of-girsanov-reweighting-and-of-square-root-approximation-for-building-molecular-markov-state-models-2209.10544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-review-of-girsanov-reweighting-and-of-square-root-approximation-for-building-molecular-markov-state-models-2209.10544"/></url>
<url><loc>https://scifaro.com/en/abs/selection-of-prebiotic-oligonucleotides-by-cyclic-phase-separation-2209.10672</loc><lastmod>2022-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selection-of-prebiotic-oligonucleotides-by-cyclic-phase-separation-2209.10672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selection-of-prebiotic-oligonucleotides-by-cyclic-phase-separation-2209.10672"/></url>
<url><loc>https://scifaro.com/en/abs/spice-a-dataset-of-drug-like-molecules-and-peptides-for-training-machine-learning-potentials-2209.10702</loc><lastmod>2022-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spice-a-dataset-of-drug-like-molecules-and-peptides-for-training-machine-learning-potentials-2209.10702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spice-a-dataset-of-drug-like-molecules-and-peptides-for-training-machine-learning-potentials-2209.10702"/></url>
<url><loc>https://scifaro.com/en/abs/a-data-driven-interpretation-of-the-stability-of-molecular-crystals-2209.10709</loc><lastmod>2022-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-data-driven-interpretation-of-the-stability-of-molecular-crystals-2209.10709"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-data-driven-interpretation-of-the-stability-of-molecular-crystals-2209.10709"/></url>
<url><loc>https://scifaro.com/en/abs/growth-of-the-solid-electrolyte-interphase-electron-diffusion-versus-solvent-diffusion-2209.10854</loc><lastmod>2023-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/growth-of-the-solid-electrolyte-interphase-electron-diffusion-versus-solvent-diffusion-2209.10854"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/growth-of-the-solid-electrolyte-interphase-electron-diffusion-versus-solvent-diffusion-2209.10854"/></url>
<url><loc>https://scifaro.com/en/abs/the-hidden-hand-of-lipids-in-the-amyloid-cascade-2209.10957</loc><lastmod>2022-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-hidden-hand-of-lipids-in-the-amyloid-cascade-2209.10957"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-hidden-hand-of-lipids-in-the-amyloid-cascade-2209.10957"/></url>
<url><loc>https://scifaro.com/en/abs/eliminating-artificial-boundary-conditions-in-time-dependent-density-functional-theory-using-fourier-contour-deformation-2209.11027</loc><lastmod>2023-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eliminating-artificial-boundary-conditions-in-time-dependent-density-functional-theory-using-fourier-contour-deformation-2209.11027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eliminating-artificial-boundary-conditions-in-time-dependent-density-functional-theory-using-fourier-contour-deformation-2209.11027"/></url>
<url><loc>https://scifaro.com/en/abs/a-pathway-to-accurate-potential-energy-curves-on-nisq-devices-2209.11176</loc><lastmod>2022-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-pathway-to-accurate-potential-energy-curves-on-nisq-devices-2209.11176"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-pathway-to-accurate-potential-energy-curves-on-nisq-devices-2209.11176"/></url>
<url><loc>https://scifaro.com/en/abs/cds-nanocrystallines-synthesis-structure-and-nonlinear-optical-properties-2209.11179</loc><lastmod>2022-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cds-nanocrystallines-synthesis-structure-and-nonlinear-optical-properties-2209.11179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cds-nanocrystallines-synthesis-structure-and-nonlinear-optical-properties-2209.11179"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-high-energy-photoelectrons-on-the-dissociation-of-molecular-nitrogen-in-earth-s-ionosphere-2209.11185</loc><lastmod>2022-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-high-energy-photoelectrons-on-the-dissociation-of-molecular-nitrogen-in-earth-s-ionosphere-2209.11185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-high-energy-photoelectrons-on-the-dissociation-of-molecular-nitrogen-in-earth-s-ionosphere-2209.11185"/></url>
<url><loc>https://scifaro.com/en/abs/time-reversal-symmetry-adaptation-in-relativistic-density-matrix-renormalization-group-algorithm-2209.11380</loc><lastmod>2023-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-reversal-symmetry-adaptation-in-relativistic-density-matrix-renormalization-group-algorithm-2209.11380"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-reversal-symmetry-adaptation-in-relativistic-density-matrix-renormalization-group-algorithm-2209.11380"/></url>
<url><loc>https://scifaro.com/en/abs/structure-optimization-with-stochastic-density-functional-theory-2209.11403</loc><lastmod>2023-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-optimization-with-stochastic-density-functional-theory-2209.11403"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-optimization-with-stochastic-density-functional-theory-2209.11403"/></url>
<url><loc>https://scifaro.com/en/abs/neural-network-potentials-for-chemistry-concepts-applications-and-prospects-2209.11581</loc><lastmod>2022-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-network-potentials-for-chemistry-concepts-applications-and-prospects-2209.11581"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-network-potentials-for-chemistry-concepts-applications-and-prospects-2209.11581"/></url>
<url><loc>https://scifaro.com/en/abs/polariton-assisted-resonance-energy-transfer-beyond-resonant-dipole-dipole-interaction-a-transition-current-density-approach-2209.11623</loc><lastmod>2023-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polariton-assisted-resonance-energy-transfer-beyond-resonant-dipole-dipole-interaction-a-transition-current-density-approach-2209.11623"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polariton-assisted-resonance-energy-transfer-beyond-resonant-dipole-dipole-interaction-a-transition-current-density-approach-2209.11623"/></url>
<url><loc>https://scifaro.com/en/abs/a-laboratory-frame-density-matrix-for-ultrafast-quantum-molecular-dynamics-2209.11790</loc><lastmod>2022-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-laboratory-frame-density-matrix-for-ultrafast-quantum-molecular-dynamics-2209.11790"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-laboratory-frame-density-matrix-for-ultrafast-quantum-molecular-dynamics-2209.11790"/></url>
<url><loc>https://scifaro.com/en/abs/the-symmetric-quasi-classical-model-using-on-the-fly-time-dependent-density-functional-theory-within-the-tamm-dancoff-approximation-2209.11831</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-symmetric-quasi-classical-model-using-on-the-fly-time-dependent-density-functional-theory-within-the-tamm-dancoff-approximation-2209.11831"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-symmetric-quasi-classical-model-using-on-the-fly-time-dependent-density-functional-theory-within-the-tamm-dancoff-approximation-2209.11831"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantitative-model-of-charge-injection-by-ruthenium-chromophores-connecting-femtosecond-to-continuous-irradiance-conditions-2209.12042</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantitative-model-of-charge-injection-by-ruthenium-chromophores-connecting-femtosecond-to-continuous-irradiance-conditions-2209.12042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantitative-model-of-charge-injection-by-ruthenium-chromophores-connecting-femtosecond-to-continuous-irradiance-conditions-2209.12042"/></url>
<url><loc>https://scifaro.com/en/abs/graphic-characterization-and-clustering-configuration-descriptors-of-determinant-space-for-molecules-2209.12570</loc><lastmod>2023-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graphic-characterization-and-clustering-configuration-descriptors-of-determinant-space-for-molecules-2209.12570"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graphic-characterization-and-clustering-configuration-descriptors-of-determinant-space-for-molecules-2209.12570"/></url>
<url><loc>https://scifaro.com/en/abs/compact-and-complete-description-of-non-markovian-dynamics-2209.13062</loc><lastmod>2024-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compact-and-complete-description-of-non-markovian-dynamics-2209.13062"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compact-and-complete-description-of-non-markovian-dynamics-2209.13062"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-x-ray-spectroscopy-of-intersystem-crossing-in-hexafluoroacetylacetone-chromophore-photophysics-and-spectral-changes-in-the-face-of-electron-withdrawing-groups-2209.13149</loc><lastmod>2023-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-x-ray-spectroscopy-of-intersystem-crossing-in-hexafluoroacetylacetone-chromophore-photophysics-and-spectral-changes-in-the-face-of-electron-withdrawing-groups-2209.13149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-x-ray-spectroscopy-of-intersystem-crossing-in-hexafluoroacetylacetone-chromophore-photophysics-and-spectral-changes-in-the-face-of-electron-withdrawing-groups-2209.13149"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-dynamics-on-defective-monolayer-graphene-2209.13328</loc><lastmod>2022-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-dynamics-on-defective-monolayer-graphene-2209.13328"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-dynamics-on-defective-monolayer-graphene-2209.13328"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-response-theory-within-the-context-of-the-coupled-cluster-formalism-2209.13612</loc><lastmod>2022-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-response-theory-within-the-context-of-the-coupled-cluster-formalism-2209.13612"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-response-theory-within-the-context-of-the-coupled-cluster-formalism-2209.13612"/></url>
<url><loc>https://scifaro.com/en/abs/leak-out-spectroscopy-a-universal-method-of-action-spectroscopy-in-cold-ion-traps-2209.13660</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/leak-out-spectroscopy-a-universal-method-of-action-spectroscopy-in-cold-ion-traps-2209.13660"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/leak-out-spectroscopy-a-universal-method-of-action-spectroscopy-in-cold-ion-traps-2209.13660"/></url>
<url><loc>https://scifaro.com/en/abs/rehybridization-dynamics-into-the-pericyclic-minimum-of-an-electrcyclic-reaction-imaged-in-real-time-2209.13691</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rehybridization-dynamics-into-the-pericyclic-minimum-of-an-electrcyclic-reaction-imaged-in-real-time-2209.13691"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rehybridization-dynamics-into-the-pericyclic-minimum-of-an-electrcyclic-reaction-imaged-in-real-time-2209.13691"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-the-fci-energy-of-large-systems-to-chemical-accuracy-from-restricted-active-space-density-matrix-renormalization-group-calculations-2209.14190</loc><lastmod>2023-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-the-fci-energy-of-large-systems-to-chemical-accuracy-from-restricted-active-space-density-matrix-renormalization-group-calculations-2209.14190"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-the-fci-energy-of-large-systems-to-chemical-accuracy-from-restricted-active-space-density-matrix-renormalization-group-calculations-2209.14190"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-structure-calculation-with-the-exact-pseudopotential-and-interpolating-wavelet-basis-2209.14248</loc><lastmod>2022-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-structure-calculation-with-the-exact-pseudopotential-and-interpolating-wavelet-basis-2209.14248"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-structure-calculation-with-the-exact-pseudopotential-and-interpolating-wavelet-basis-2209.14248"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-approximation-to-mbar-and-tram-batch-wise-free-energy-estimation-2209.14620</loc><lastmod>2022-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-approximation-to-mbar-and-tram-batch-wise-free-energy-estimation-2209.14620"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-approximation-to-mbar-and-tram-batch-wise-free-energy-estimation-2209.14620"/></url>
<url><loc>https://scifaro.com/en/abs/imaging-concentration-fields-in-microfluidic-fuel-cells-as-a-mass-transfer-characterization-platform-2209.14704</loc><lastmod>2023-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-concentration-fields-in-microfluidic-fuel-cells-as-a-mass-transfer-characterization-platform-2209.14704"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-concentration-fields-in-microfluidic-fuel-cells-as-a-mass-transfer-characterization-platform-2209.14704"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-global-machine-learning-force-fields-for-molecules-with-hundreds-of-atoms-2209.14865</loc><lastmod>2022-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-global-machine-learning-force-fields-for-molecules-with-hundreds-of-atoms-2209.14865"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-global-machine-learning-force-fields-for-molecules-with-hundreds-of-atoms-2209.14865"/></url>
<url><loc>https://scifaro.com/en/abs/3-aminopropyl-trimethoxysilane-surface-passivation-improves-perovskite-solar-cell-performance-by-reducing-surface-recombination-velocity-2209.15105</loc><lastmod>2022-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/3-aminopropyl-trimethoxysilane-surface-passivation-improves-perovskite-solar-cell-performance-by-reducing-surface-recombination-velocity-2209.15105"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/3-aminopropyl-trimethoxysilane-surface-passivation-improves-perovskite-solar-cell-performance-by-reducing-surface-recombination-velocity-2209.15105"/></url>
<url><loc>https://scifaro.com/en/abs/equivariant-energy-guided-sde-for-inverse-molecular-design-2209.15408</loc><lastmod>2023-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equivariant-energy-guided-sde-for-inverse-molecular-design-2209.15408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equivariant-energy-guided-sde-for-inverse-molecular-design-2209.15408"/></url>
<url><loc>https://scifaro.com/en/abs/aa-ngstrom-depth-resolution-with-chemical-specificity-at-the-liquid-vapor-interface-2209.15437</loc><lastmod>2023-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/aa-ngstrom-depth-resolution-with-chemical-specificity-at-the-liquid-vapor-interface-2209.15437"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/aa-ngstrom-depth-resolution-with-chemical-specificity-at-the-liquid-vapor-interface-2209.15437"/></url>
<url><loc>https://scifaro.com/en/abs/dissociation-dynamics-of-a-diatomic-molecule-in-an-optical-cavity-2210.00470</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociation-dynamics-of-a-diatomic-molecule-in-an-optical-cavity-2210.00470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociation-dynamics-of-a-diatomic-molecule-in-an-optical-cavity-2210.00470"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-resetting-for-enhanced-sampling-2210.00558</loc><lastmod>2023-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-resetting-for-enhanced-sampling-2210.00558"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-resetting-for-enhanced-sampling-2210.00558"/></url>
<url><loc>https://scifaro.com/en/abs/demystification-of-entangled-mass-action-law-2210.00787</loc><lastmod>2023-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/demystification-of-entangled-mass-action-law-2210.00787"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/demystification-of-entangled-mass-action-law-2210.00787"/></url>
<url><loc>https://scifaro.com/en/abs/energetic-electron-irradiations-of-amorphous-and-crystalline-sulphur-bearing-astrochemical-ices-2210.01119</loc><lastmod>2022-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energetic-electron-irradiations-of-amorphous-and-crystalline-sulphur-bearing-astrochemical-ices-2210.01119"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energetic-electron-irradiations-of-amorphous-and-crystalline-sulphur-bearing-astrochemical-ices-2210.01119"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-co-2-absorption-in-ionic-liquids-with-molecular-descriptors-and-explainable-graph-neural-networks-2210.01120</loc><lastmod>2022-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-co-2-absorption-in-ionic-liquids-with-molecular-descriptors-and-explainable-graph-neural-networks-2210.01120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-co-2-absorption-in-ionic-liquids-with-molecular-descriptors-and-explainable-graph-neural-networks-2210.01120"/></url>
<url><loc>https://scifaro.com/en/abs/a-perspective-on-the-microscopic-pressure-stress-tensor-history-current-understanding-and-future-challenges-2210.01259</loc><lastmod>2023-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-perspective-on-the-microscopic-pressure-stress-tensor-history-current-understanding-and-future-challenges-2210.01259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-perspective-on-the-microscopic-pressure-stress-tensor-history-current-understanding-and-future-challenges-2210.01259"/></url>
<url><loc>https://scifaro.com/en/abs/polariton-enhanced-free-charge-carrier-generation-in-donor-acceptor-cavity-systems-by-a-second-hybridization-mechanism-2210.01278</loc><lastmod>2022-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polariton-enhanced-free-charge-carrier-generation-in-donor-acceptor-cavity-systems-by-a-second-hybridization-mechanism-2210.01278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polariton-enhanced-free-charge-carrier-generation-in-donor-acceptor-cavity-systems-by-a-second-hybridization-mechanism-2210.01278"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-relative-efficacy-of-electropermeation-and-isothermal-desorption-approaches-for-measuring-hydrogen-diffusivity-2210.01462</loc><lastmod>2022-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-relative-efficacy-of-electropermeation-and-isothermal-desorption-approaches-for-measuring-hydrogen-diffusivity-2210.01462"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-relative-efficacy-of-electropermeation-and-isothermal-desorption-approaches-for-measuring-hydrogen-diffusivity-2210.01462"/></url>
<url><loc>https://scifaro.com/en/abs/the-surface-of-electrolyte-solutions-is-stratified-2210.01527</loc><lastmod>2022-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-surface-of-electrolyte-solutions-is-stratified-2210.01527"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-surface-of-electrolyte-solutions-is-stratified-2210.01527"/></url>
<url><loc>https://scifaro.com/en/abs/free-volume-model-analysis-of-the-o2-ion-mobility-in-dense-ar-gas-2210.01687</loc><lastmod>2022-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/free-volume-model-analysis-of-the-o2-ion-mobility-in-dense-ar-gas-2210.01687"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/free-volume-model-analysis-of-the-o2-ion-mobility-in-dense-ar-gas-2210.01687"/></url>
<url><loc>https://scifaro.com/en/abs/tensor-reduced-atomic-density-representations-2210.01705</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tensor-reduced-atomic-density-representations-2210.01705"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tensor-reduced-atomic-density-representations-2210.01705"/></url>
<url><loc>https://scifaro.com/en/abs/paradoxical-constitutive-law-between-donor-o-h-bond-length-and-its-stretching-frequency-in-water-dimer-2210.01998</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/paradoxical-constitutive-law-between-donor-o-h-bond-length-and-its-stretching-frequency-in-water-dimer-2210.01998"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/paradoxical-constitutive-law-between-donor-o-h-bond-length-and-its-stretching-frequency-in-water-dimer-2210.01998"/></url>
<url><loc>https://scifaro.com/en/abs/surface-specific-vibrational-spectroscopy-of-interfacial-water-reveals-large-ph-change-near-graphene-electrode-at-low-current-densities-2210.02532</loc><lastmod>2022-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-specific-vibrational-spectroscopy-of-interfacial-water-reveals-large-ph-change-near-graphene-electrode-at-low-current-densities-2210.02532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-specific-vibrational-spectroscopy-of-interfacial-water-reveals-large-ph-change-near-graphene-electrode-at-low-current-densities-2210.02532"/></url>
<url><loc>https://scifaro.com/en/abs/an-ab-initio-study-of-the-rovibronic-spectrum-of-sulphur-monoxide-so-diabatic-vs-adiabatic-representation-2210.02800</loc><lastmod>2022-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-ab-initio-study-of-the-rovibronic-spectrum-of-sulphur-monoxide-so-diabatic-vs-adiabatic-representation-2210.02800"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-ab-initio-study-of-the-rovibronic-spectrum-of-sulphur-monoxide-so-diabatic-vs-adiabatic-representation-2210.02800"/></url>
<url><loc>https://scifaro.com/en/abs/definition-of-the-pnictogen-bond-a-perspective-2210.02823</loc><lastmod>2022-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/definition-of-the-pnictogen-bond-a-perspective-2210.02823"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/definition-of-the-pnictogen-bond-a-perspective-2210.02823"/></url>
<url><loc>https://scifaro.com/en/abs/a-variational-model-for-the-hyperfine-resolved-spectrum-of-vo-in-its-ground-electronic-state-2210.02896</loc><lastmod>2022-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-variational-model-for-the-hyperfine-resolved-spectrum-of-vo-in-its-ground-electronic-state-2210.02896"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-variational-model-for-the-hyperfine-resolved-spectrum-of-vo-in-its-ground-electronic-state-2210.02896"/></url>
<url><loc>https://scifaro.com/en/abs/one-electron-self-interaction-error-and-its-relationship-to-geometry-and-higher-orbital-occupation-2210.03386</loc><lastmod>2023-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/one-electron-self-interaction-error-and-its-relationship-to-geometry-and-higher-orbital-occupation-2210.03386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/one-electron-self-interaction-error-and-its-relationship-to-geometry-and-higher-orbital-occupation-2210.03386"/></url>
<url><loc>https://scifaro.com/en/abs/perspective-relativity-correlation-qed-experiment-2210.03470</loc><lastmod>2022-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perspective-relativity-correlation-qed-experiment-2210.03470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perspective-relativity-correlation-qed-experiment-2210.03470"/></url>
<url><loc>https://scifaro.com/en/abs/cluster-amplitudes-and-their-interplay-with-self-consistency-in-density-functional-methods-2210.03694</loc><lastmod>2022-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cluster-amplitudes-and-their-interplay-with-self-consistency-in-density-functional-methods-2210.03694"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cluster-amplitudes-and-their-interplay-with-self-consistency-in-density-functional-methods-2210.03694"/></url>
<url><loc>https://scifaro.com/en/abs/equivariant-shape-conditioned-generation-of-3d-molecules-for-ligand-based-drug-design-2210.04893</loc><lastmod>2022-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equivariant-shape-conditioned-generation-of-3d-molecules-for-ligand-based-drug-design-2210.04893"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equivariant-shape-conditioned-generation-of-3d-molecules-for-ligand-based-drug-design-2210.04893"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-energy-gap-law-under-vibrational-strong-coupling-2210.04986</loc><lastmod>2023-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-energy-gap-law-under-vibrational-strong-coupling-2210.04986"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-energy-gap-law-under-vibrational-strong-coupling-2210.04986"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-diastereocontrol-via-strong-light-matter-interactions-in-an-optical-cavity-2210.04991</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-diastereocontrol-via-strong-light-matter-interactions-in-an-optical-cavity-2210.04991"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-diastereocontrol-via-strong-light-matter-interactions-in-an-optical-cavity-2210.04991"/></url>
<url><loc>https://scifaro.com/en/abs/internal-conversion-rates-from-the-extended-thawed-gaussian-approximation-theory-and-validation-2210.05295</loc><lastmod>2023-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/internal-conversion-rates-from-the-extended-thawed-gaussian-approximation-theory-and-validation-2210.05295"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/internal-conversion-rates-from-the-extended-thawed-gaussian-approximation-theory-and-validation-2210.05295"/></url>
<url><loc>https://scifaro.com/en/abs/towards-dmc-accuracy-across-chemical-space-with-scalable-delta-qml-2210.06430</loc><lastmod>2023-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-dmc-accuracy-across-chemical-space-with-scalable-delta-qml-2210.06430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-dmc-accuracy-across-chemical-space-with-scalable-delta-qml-2210.06430"/></url>
<url><loc>https://scifaro.com/en/abs/unusual-electronic-properties-of-sub-nanosized-magnesium-clusters-2210.06544</loc><lastmod>2022-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unusual-electronic-properties-of-sub-nanosized-magnesium-clusters-2210.06544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unusual-electronic-properties-of-sub-nanosized-magnesium-clusters-2210.06544"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-dependence-in-fast-atom-diffraction-at-surfaces-2210.06555</loc><lastmod>2022-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-dependence-in-fast-atom-diffraction-at-surfaces-2210.06555"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-dependence-in-fast-atom-diffraction-at-surfaces-2210.06555"/></url>
<url><loc>https://scifaro.com/en/abs/h-2-h-2-o-h-4-o-synthesizing-hyper-hydrogenated-water-in-small-sized-fullerenes-2210.06689</loc><lastmod>2023-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/h-2-h-2-o-h-4-o-synthesizing-hyper-hydrogenated-water-in-small-sized-fullerenes-2210.06689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/h-2-h-2-o-h-4-o-synthesizing-hyper-hydrogenated-water-in-small-sized-fullerenes-2210.06689"/></url>
<url><loc>https://scifaro.com/en/abs/finite-temperature-stability-of-hydrocarbons-fullerenes-versus-flakes-2210.06859</loc><lastmod>2022-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finite-temperature-stability-of-hydrocarbons-fullerenes-versus-flakes-2210.06859"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finite-temperature-stability-of-hydrocarbons-fullerenes-versus-flakes-2210.06859"/></url>
<url><loc>https://scifaro.com/en/abs/mechanism-of-cold-spot-autoignition-in-a-hydrogen-air-mixture-2210.06953</loc><lastmod>2022-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanism-of-cold-spot-autoignition-in-a-hydrogen-air-mixture-2210.06953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanism-of-cold-spot-autoignition-in-a-hydrogen-air-mixture-2210.06953"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-path-sampling-using-subtrajectory-monte-carlo-moves-2210.07026</loc><lastmod>2023-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-path-sampling-using-subtrajectory-monte-carlo-moves-2210.07026"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-path-sampling-using-subtrajectory-monte-carlo-moves-2210.07026"/></url>
<url><loc>https://scifaro.com/en/abs/tensor-hypercontraction-form-of-the-perturbative-triples-energy-in-coupled-cluster-theory-2210.07035</loc><lastmod>2024-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tensor-hypercontraction-form-of-the-perturbative-triples-energy-in-coupled-cluster-theory-2210.07035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tensor-hypercontraction-form-of-the-perturbative-triples-energy-in-coupled-cluster-theory-2210.07035"/></url>
<url><loc>https://scifaro.com/en/abs/connections-between-many-body-perturbation-and-coupled-cluster-theories-2210.07043</loc><lastmod>2022-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/connections-between-many-body-perturbation-and-coupled-cluster-theories-2210.07043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/connections-between-many-body-perturbation-and-coupled-cluster-theories-2210.07043"/></url>
<url><loc>https://scifaro.com/en/abs/projected-hybrid-density-functionals-method-and-application-to-core-electron-ionization-2210.07216</loc><lastmod>2023-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/projected-hybrid-density-functionals-method-and-application-to-core-electron-ionization-2210.07216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/projected-hybrid-density-functionals-method-and-application-to-core-electron-ionization-2210.07216"/></url>
<url><loc>https://scifaro.com/en/abs/novel-applications-of-generative-adversarial-networks-gans-in-the-analysis-of-ultrafast-electron-diffraction-ued-images-2210.07279</loc><lastmod>2023-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/novel-applications-of-generative-adversarial-networks-gans-in-the-analysis-of-ultrafast-electron-diffraction-ued-images-2210.07279"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/novel-applications-of-generative-adversarial-networks-gans-in-the-analysis-of-ultrafast-electron-diffraction-ued-images-2210.07279"/></url>
<url><loc>https://scifaro.com/en/abs/the-use-of-industrial-molasses-waste-in-the-performant-synthesis-of-fewlayer-graphene-and-its-au-ag-nanoparticles-nanocomposites-photocatalytic-and-supercapacitance-applications-2210.07613</loc><lastmod>2022-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-use-of-industrial-molasses-waste-in-the-performant-synthesis-of-fewlayer-graphene-and-its-au-ag-nanoparticles-nanocomposites-photocatalytic-and-supercapacitance-applications-2210.07613"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-use-of-industrial-molasses-waste-in-the-performant-synthesis-of-fewlayer-graphene-and-its-au-ag-nanoparticles-nanocomposites-photocatalytic-and-supercapacitance-applications-2210.07613"/></url>
<url><loc>https://scifaro.com/en/abs/direct-reuse-of-aluminium-and-copper-current-collectors-from-spent-lithium-ion-batteries-2210.07678</loc><lastmod>2022-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-reuse-of-aluminium-and-copper-current-collectors-from-spent-lithium-ion-batteries-2210.07678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-reuse-of-aluminium-and-copper-current-collectors-from-spent-lithium-ion-batteries-2210.07678"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-frontier-orbital-energies-of-nanodiamonds-2210.07930</loc><lastmod>2024-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-frontier-orbital-energies-of-nanodiamonds-2210.07930"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-frontier-orbital-energies-of-nanodiamonds-2210.07930"/></url>
<url><loc>https://scifaro.com/en/abs/electron-attachment-to-wobble-base-pairs-2210.07965</loc><lastmod>2022-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-attachment-to-wobble-base-pairs-2210.07965"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-attachment-to-wobble-base-pairs-2210.07965"/></url>
<url><loc>https://scifaro.com/en/abs/high-sensitivity-fluorescence-detected-multidimensional-electronic-spectroscopy-through-continuous-pump-probe-delay-scan-2210.08239</loc><lastmod>2022-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-sensitivity-fluorescence-detected-multidimensional-electronic-spectroscopy-through-continuous-pump-probe-delay-scan-2210.08239"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-sensitivity-fluorescence-detected-multidimensional-electronic-spectroscopy-through-continuous-pump-probe-delay-scan-2210.08239"/></url>
<url><loc>https://scifaro.com/en/abs/semianalytical-mass-transfer-impedance-model-in-microfluidic-electrochemical-chips-2210.08867</loc><lastmod>2022-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semianalytical-mass-transfer-impedance-model-in-microfluidic-electrochemical-chips-2210.08867"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semianalytical-mass-transfer-impedance-model-in-microfluidic-electrochemical-chips-2210.08867"/></url>
<url><loc>https://scifaro.com/en/abs/toward-more-accurate-adiabatic-connection-approach-for-multireference-wave-functions-2210.09087</loc><lastmod>2023-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-more-accurate-adiabatic-connection-approach-for-multireference-wave-functions-2210.09087"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-more-accurate-adiabatic-connection-approach-for-multireference-wave-functions-2210.09087"/></url>
<url><loc>https://scifaro.com/en/abs/pre-born-oppenheimer-energies-leading-order-relativistic-and-qed-corrections-for-electronically-excited-states-of-molecular-hydrogen-2210.09653</loc><lastmod>2023-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pre-born-oppenheimer-energies-leading-order-relativistic-and-qed-corrections-for-electronically-excited-states-of-molecular-hydrogen-2210.09653"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pre-born-oppenheimer-energies-leading-order-relativistic-and-qed-corrections-for-electronically-excited-states-of-molecular-hydrogen-2210.09653"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-many-body-dispersion-correction-through-random-phase-approximation-for-chemically-accurate-density-functional-theory-2210.09784</loc><lastmod>2023-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-many-body-dispersion-correction-through-random-phase-approximation-for-chemically-accurate-density-functional-theory-2210.09784"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-many-body-dispersion-correction-through-random-phase-approximation-for-chemically-accurate-density-functional-theory-2210.09784"/></url>
<url><loc>https://scifaro.com/en/abs/multiplexed-biosensing-of-proteins-and-virions-with-disposable-plasmonic-assays-2210.09804</loc><lastmod>2023-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiplexed-biosensing-of-proteins-and-virions-with-disposable-plasmonic-assays-2210.09804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiplexed-biosensing-of-proteins-and-virions-with-disposable-plasmonic-assays-2210.09804"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-neural-network-based-fitting-of-full-dimensional-two-body-potential-energy-surfaces-2210.09970</loc><lastmod>2025-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-neural-network-based-fitting-of-full-dimensional-two-body-potential-energy-surfaces-2210.09970"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-neural-network-based-fitting-of-full-dimensional-two-body-potential-energy-surfaces-2210.09970"/></url>
<url><loc>https://scifaro.com/en/abs/second-order-self-consistent-field-algorithms-from-classical-to-quantum-nuclei-2210.10170</loc><lastmod>2023-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/second-order-self-consistent-field-algorithms-from-classical-to-quantum-nuclei-2210.10170"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/second-order-self-consistent-field-algorithms-from-classical-to-quantum-nuclei-2210.10170"/></url>
<url><loc>https://scifaro.com/en/abs/two-sided-impact-of-water-on-the-relaxation-of-inner-valence-vacancies-of-biologically-relevant-molecules-2210.10323</loc><lastmod>2023-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-sided-impact-of-water-on-the-relaxation-of-inner-valence-vacancies-of-biologically-relevant-molecules-2210.10323"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-sided-impact-of-water-on-the-relaxation-of-inner-valence-vacancies-of-biologically-relevant-molecules-2210.10323"/></url>
<url><loc>https://scifaro.com/en/abs/dissociation-slowdown-by-collective-optical-response-under-strong-coupling-conditions-2210.10943</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociation-slowdown-by-collective-optical-response-under-strong-coupling-conditions-2210.10943"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociation-slowdown-by-collective-optical-response-under-strong-coupling-conditions-2210.10943"/></url>
<url><loc>https://scifaro.com/en/abs/an-evaluation-for-geometries-formation-enthalpies-and-dissociation-energies-of-diatomic-and-triatomic-c-h-n-o-no3-and-hno3-molecules-from-the-paw-dft-method-with-pbe-and-optb88-vdw-functionals-2210.10944</loc><lastmod>2022-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-evaluation-for-geometries-formation-enthalpies-and-dissociation-energies-of-diatomic-and-triatomic-c-h-n-o-no3-and-hno3-molecules-from-the-paw-dft-method-with-pbe-and-optb88-vdw-functionals-2210.10944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-evaluation-for-geometries-formation-enthalpies-and-dissociation-energies-of-diatomic-and-triatomic-c-h-n-o-no3-and-hno3-molecules-from-the-paw-dft-method-with-pbe-and-optb88-vdw-functionals-2210.10944"/></url>
<url><loc>https://scifaro.com/en/abs/probing-bidirectional-plasmon-plasmon-coupling-induced-hot-charge-carriers-in-dualplasmonic-au-cus-nanocrystals-2210.11144</loc><lastmod>2024-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-bidirectional-plasmon-plasmon-coupling-induced-hot-charge-carriers-in-dualplasmonic-au-cus-nanocrystals-2210.11144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-bidirectional-plasmon-plasmon-coupling-induced-hot-charge-carriers-in-dualplasmonic-au-cus-nanocrystals-2210.11144"/></url>
<url><loc>https://scifaro.com/en/abs/orientation-and-dynamics-of-water-molecules-in-beryl-2210.11160</loc><lastmod>2023-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orientation-and-dynamics-of-water-molecules-in-beryl-2210.11160"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orientation-and-dynamics-of-water-molecules-in-beryl-2210.11160"/></url>
<url><loc>https://scifaro.com/en/abs/structure-based-drug-design-with-geometric-deep-learning-2210.11250</loc><lastmod>2022-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-based-drug-design-with-geometric-deep-learning-2210.11250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-based-drug-design-with-geometric-deep-learning-2210.11250"/></url>
<url><loc>https://scifaro.com/en/abs/semiempirical-hamiltonians-learned-from-data-can-have-accuracy-comparable-to-density-functional-theory-2210.11682</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiempirical-hamiltonians-learned-from-data-can-have-accuracy-comparable-to-density-functional-theory-2210.11682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiempirical-hamiltonians-learned-from-data-can-have-accuracy-comparable-to-density-functional-theory-2210.11682"/></url>
<url><loc>https://scifaro.com/en/abs/very-strong-chalcogen-bonding-is-oxygen-in-molecules-capable-of-forming-it-a-first-principles-perspective-2210.11919</loc><lastmod>2022-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/very-strong-chalcogen-bonding-is-oxygen-in-molecules-capable-of-forming-it-a-first-principles-perspective-2210.11919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/very-strong-chalcogen-bonding-is-oxygen-in-molecules-capable-of-forming-it-a-first-principles-perspective-2210.11919"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-molecular-g-tensors-by-sampling-spin-orientations-of-generalised-hartree-fock-states-2210.12009</loc><lastmod>2023-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-molecular-g-tensors-by-sampling-spin-orientations-of-generalised-hartree-fock-states-2210.12009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-molecular-g-tensors-by-sampling-spin-orientations-of-generalised-hartree-fock-states-2210.12009"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-structure-dynamics-and-vibrational-spectroscopy-of-the-acetylene-ammonia-1-1-plastic-co-crystal-at-titan-conditions-2210.12188</loc><lastmod>2022-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-structure-dynamics-and-vibrational-spectroscopy-of-the-acetylene-ammonia-1-1-plastic-co-crystal-at-titan-conditions-2210.12188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-structure-dynamics-and-vibrational-spectroscopy-of-the-acetylene-ammonia-1-1-plastic-co-crystal-at-titan-conditions-2210.12188"/></url>
<url><loc>https://scifaro.com/en/abs/faster-and-more-diverse-de-novo-molecular-optimization-with-double-loop-reinforcement-learning-using-augmented-smiles-2210.12458</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/faster-and-more-diverse-de-novo-molecular-optimization-with-double-loop-reinforcement-learning-using-augmented-smiles-2210.12458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/faster-and-more-diverse-de-novo-molecular-optimization-with-double-loop-reinforcement-learning-using-augmented-smiles-2210.12458"/></url>
<url><loc>https://scifaro.com/en/abs/spectra-of-co2-rg2-and-co2-rg-he-trimers-rg-ne-ar-kr-and-xe-intermolecular-co2-rock-vibrational-shifts-and-three-body-effects-2210.12797</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectra-of-co2-rg2-and-co2-rg-he-trimers-rg-ne-ar-kr-and-xe-intermolecular-co2-rock-vibrational-shifts-and-three-body-effects-2210.12797"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectra-of-co2-rg2-and-co2-rg-he-trimers-rg-ne-ar-kr-and-xe-intermolecular-co2-rock-vibrational-shifts-and-three-body-effects-2210.12797"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-resolution-of-identity-to-cc2-for-large-systems-ground-state-properties-2210.12897</loc><lastmod>2022-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-resolution-of-identity-to-cc2-for-large-systems-ground-state-properties-2210.12897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-resolution-of-identity-to-cc2-for-large-systems-ground-state-properties-2210.12897"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-hydrogen-evolution-catalysis-of-pentlandite-due-to-the-increases-in-coordination-number-and-sulfur-vacancy-during-cubic-hexagonal-phase-transition-2210.13348</loc><lastmod>2024-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-hydrogen-evolution-catalysis-of-pentlandite-due-to-the-increases-in-coordination-number-and-sulfur-vacancy-during-cubic-hexagonal-phase-transition-2210.13348"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-hydrogen-evolution-catalysis-of-pentlandite-due-to-the-increases-in-coordination-number-and-sulfur-vacancy-during-cubic-hexagonal-phase-transition-2210.13348"/></url>
<url><loc>https://scifaro.com/en/abs/filming-enhanced-ionization-in-an-ultrafast-triatomic-slingshot-2210.13645</loc><lastmod>2022-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/filming-enhanced-ionization-in-an-ultrafast-triatomic-slingshot-2210.13645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/filming-enhanced-ionization-in-an-ultrafast-triatomic-slingshot-2210.13645"/></url>
<url><loc>https://scifaro.com/en/abs/constant-adiabaticity-ultralow-magnetic-field-manipulations-of-parahydrogen-induced-polarization-application-to-an-aa-x-spin-system-2210.14342</loc><lastmod>2022-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/constant-adiabaticity-ultralow-magnetic-field-manipulations-of-parahydrogen-induced-polarization-application-to-an-aa-x-spin-system-2210.14342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/constant-adiabaticity-ultralow-magnetic-field-manipulations-of-parahydrogen-induced-polarization-application-to-an-aa-x-spin-system-2210.14342"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-all-electron-time-dependent-density-functional-theory-calculations-using-an-enriched-finite-element-basis-2210.14421</loc><lastmod>2022-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-all-electron-time-dependent-density-functional-theory-calculations-using-an-enriched-finite-element-basis-2210.14421"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-all-electron-time-dependent-density-functional-theory-calculations-using-an-enriched-finite-element-basis-2210.14421"/></url>
<url><loc>https://scifaro.com/en/abs/copula-approach-to-exchange-correlation-hole-in-many-electron-systems-with-strong-correlations-2210.14475</loc><lastmod>2024-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/copula-approach-to-exchange-correlation-hole-in-many-electron-systems-with-strong-correlations-2210.14475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/copula-approach-to-exchange-correlation-hole-in-many-electron-systems-with-strong-correlations-2210.14475"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-induction-lineshape-modeling-via-hybrid-sde-and-md-approach-2210.14542</loc><lastmod>2023-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-induction-lineshape-modeling-via-hybrid-sde-and-md-approach-2210.14542"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-induction-lineshape-modeling-via-hybrid-sde-and-md-approach-2210.14542"/></url>
<url><loc>https://scifaro.com/en/abs/model-reduction-for-molecular-diffusion-in-nanoporous-media-2210.14663</loc><lastmod>2023-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/model-reduction-for-molecular-diffusion-in-nanoporous-media-2210.14663"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/model-reduction-for-molecular-diffusion-in-nanoporous-media-2210.14663"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-assisted-design-and-optimization-of-transition-metal-incorporated-carbon-quantum-dot-catalysts-for-hydrogen-evolution-reaction-2210.14701</loc><lastmod>2022-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-assisted-design-and-optimization-of-transition-metal-incorporated-carbon-quantum-dot-catalysts-for-hydrogen-evolution-reaction-2210.14701"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-assisted-design-and-optimization-of-transition-metal-incorporated-carbon-quantum-dot-catalysts-for-hydrogen-evolution-reaction-2210.14701"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-breaking-with-the-scan-density-functional-describes-strong-correlation-in-the-singlet-carbon-dimer-2210.15080</loc><lastmod>2022-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-breaking-with-the-scan-density-functional-describes-strong-correlation-in-the-singlet-carbon-dimer-2210.15080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-breaking-with-the-scan-density-functional-describes-strong-correlation-in-the-singlet-carbon-dimer-2210.15080"/></url>
<url><loc>https://scifaro.com/en/abs/polyhedral-distortions-and-unusual-magnetic-order-in-spinel-femn-2-o-4-2210.15089</loc><lastmod>2023-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polyhedral-distortions-and-unusual-magnetic-order-in-spinel-femn-2-o-4-2210.15089"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polyhedral-distortions-and-unusual-magnetic-order-in-spinel-femn-2-o-4-2210.15089"/></url>
<url><loc>https://scifaro.com/en/abs/diffusion-towards-a-nanoforest-of-absorbing-pillars-2210.15378</loc><lastmod>2023-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffusion-towards-a-nanoforest-of-absorbing-pillars-2210.15378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffusion-towards-a-nanoforest-of-absorbing-pillars-2210.15378"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-the-quality-of-qm-mm-approaches-to-describe-vacuo-to-water-solvatochromic-shifts-2210.15412</loc><lastmod>2022-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-the-quality-of-qm-mm-approaches-to-describe-vacuo-to-water-solvatochromic-shifts-2210.15412"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-the-quality-of-qm-mm-approaches-to-describe-vacuo-to-water-solvatochromic-shifts-2210.15412"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-alw-oxide-coatings-on-aluminum-formed-by-pulsed-direct-current-plasma-electrolytic-oxidation-at-ultralow-duty-cycles-2210.15719</loc><lastmod>2022-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-alw-oxide-coatings-on-aluminum-formed-by-pulsed-direct-current-plasma-electrolytic-oxidation-at-ultralow-duty-cycles-2210.15719"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-alw-oxide-coatings-on-aluminum-formed-by-pulsed-direct-current-plasma-electrolytic-oxidation-at-ultralow-duty-cycles-2210.15719"/></url>
<url><loc>https://scifaro.com/en/abs/cavity-jahn-teller-polaritons-in-molecules-2210.16037</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cavity-jahn-teller-polaritons-in-molecules-2210.16037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cavity-jahn-teller-polaritons-in-molecules-2210.16037"/></url>
<url><loc>https://scifaro.com/en/abs/a-full-quantum-mechanical-approach-assessing-the-chemical-and-electromagnetic-effect-in-ters-2210.16047</loc><lastmod>2022-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-full-quantum-mechanical-approach-assessing-the-chemical-and-electromagnetic-effect-in-ters-2210.16047"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-full-quantum-mechanical-approach-assessing-the-chemical-and-electromagnetic-effect-in-ters-2210.16047"/></url>
<url><loc>https://scifaro.com/en/abs/upgrading-the-detection-of-electrocatalyst-degradation-during-the-oxygen-evolution-reaction-2210.16096</loc><lastmod>2022-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/upgrading-the-detection-of-electrocatalyst-degradation-during-the-oxygen-evolution-reaction-2210.16096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/upgrading-the-detection-of-electrocatalyst-degradation-during-the-oxygen-evolution-reaction-2210.16096"/></url>
<url><loc>https://scifaro.com/en/abs/structural-ensembles-of-disordered-proteins-from-hierarchical-chain-growth-and-simulation-2210.16167</loc><lastmod>2022-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-ensembles-of-disordered-proteins-from-hierarchical-chain-growth-and-simulation-2210.16167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-ensembles-of-disordered-proteins-from-hierarchical-chain-growth-and-simulation-2210.16167"/></url>
<url><loc>https://scifaro.com/en/abs/linear-response-properties-of-solvated-systems-a-computational-study-2210.16201</loc><lastmod>2022-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-response-properties-of-solvated-systems-a-computational-study-2210.16201"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-response-properties-of-solvated-systems-a-computational-study-2210.16201"/></url>
<url><loc>https://scifaro.com/en/abs/projection-based-density-matrix-renormalization-group-in-density-functional-theory-embedding-2210.16289</loc><lastmod>2022-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/projection-based-density-matrix-renormalization-group-in-density-functional-theory-embedding-2210.16289"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/projection-based-density-matrix-renormalization-group-in-density-functional-theory-embedding-2210.16289"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-chemical-structure-recognition-by-encoder-decoder-models-in-learning-progress-2210.16307</loc><lastmod>2023-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-chemical-structure-recognition-by-encoder-decoder-models-in-learning-progress-2210.16307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-chemical-structure-recognition-by-encoder-decoder-models-in-learning-progress-2210.16307"/></url>
<url><loc>https://scifaro.com/en/abs/supramolecular-self-assembly-as-a-tool-to-preserve-electronic-purity-of-perylene-diimide-chromophores-2210.16420</loc><lastmod>2022-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/supramolecular-self-assembly-as-a-tool-to-preserve-electronic-purity-of-perylene-diimide-chromophores-2210.16420"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/supramolecular-self-assembly-as-a-tool-to-preserve-electronic-purity-of-perylene-diimide-chromophores-2210.16420"/></url>
<url><loc>https://scifaro.com/en/abs/visnet-an-equivariant-geometry-enhanced-graph-neural-network-with-vector-scalar-interactive-message-passing-for-molecules-2210.16518</loc><lastmod>2023-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/visnet-an-equivariant-geometry-enhanced-graph-neural-network-with-vector-scalar-interactive-message-passing-for-molecules-2210.16518"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/visnet-an-equivariant-geometry-enhanced-graph-neural-network-with-vector-scalar-interactive-message-passing-for-molecules-2210.16518"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-molecular-orientation-via-nir-delay-thz-scheme-experimental-results-at-room-temperature-2210.16545</loc><lastmod>2022-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-molecular-orientation-via-nir-delay-thz-scheme-experimental-results-at-room-temperature-2210.16545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-molecular-orientation-via-nir-delay-thz-scheme-experimental-results-at-room-temperature-2210.16545"/></url>
<url><loc>https://scifaro.com/en/abs/multidimensional-coherent-spectroscopy-of-excitons-in-pi-conjugated-polymers-2210.16618</loc><lastmod>2022-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multidimensional-coherent-spectroscopy-of-excitons-in-pi-conjugated-polymers-2210.16618"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multidimensional-coherent-spectroscopy-of-excitons-in-pi-conjugated-polymers-2210.16618"/></url>
<url><loc>https://scifaro.com/en/abs/evaporation-of-water-in-a-microfluidic-channel-under-magnetic-field-2210.16962</loc><lastmod>2022-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaporation-of-water-in-a-microfluidic-channel-under-magnetic-field-2210.16962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaporation-of-water-in-a-microfluidic-channel-under-magnetic-field-2210.16962"/></url>
<url><loc>https://scifaro.com/en/abs/two-dimensional-infrared-raman-spectroscopy-as-a-probe-of-water-s-tetrahedrality-2210.17100</loc><lastmod>2023-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-infrared-raman-spectroscopy-as-a-probe-of-water-s-tetrahedrality-2210.17100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-infrared-raman-spectroscopy-as-a-probe-of-water-s-tetrahedrality-2210.17100"/></url>
<url><loc>https://scifaro.com/en/abs/photo-accelerated-water-dissociation-across-one-atom-thick-electrodes-2210.17438</loc><lastmod>2022-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photo-accelerated-water-dissociation-across-one-atom-thick-electrodes-2210.17438"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photo-accelerated-water-dissociation-across-one-atom-thick-electrodes-2210.17438"/></url>
<url><loc>https://scifaro.com/en/abs/rovibrational-internal-energy-transfer-and-dissociation-of-high-temperature-oxygen-mixture-2210.17481</loc><lastmod>2022-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rovibrational-internal-energy-transfer-and-dissociation-of-high-temperature-oxygen-mixture-2210.17481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rovibrational-internal-energy-transfer-and-dissociation-of-high-temperature-oxygen-mixture-2210.17481"/></url>
<url><loc>https://scifaro.com/en/abs/the-extended-star-graph-as-a-light-harvesting-complex-prototype-excitonic-absorption-speedup-by-peripheral-energy-defect-tuning-2210.17524</loc><lastmod>2023-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-extended-star-graph-as-a-light-harvesting-complex-prototype-excitonic-absorption-speedup-by-peripheral-energy-defect-tuning-2210.17524"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-extended-star-graph-as-a-light-harvesting-complex-prototype-excitonic-absorption-speedup-by-peripheral-energy-defect-tuning-2210.17524"/></url>
<url><loc>https://scifaro.com/en/abs/density-matrix-renormalization-group-for-transcorrelated-hamiltonians-ground-and-excited-states-in-emph-ab-initio-systems-2211.00173</loc><lastmod>2022-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-matrix-renormalization-group-for-transcorrelated-hamiltonians-ground-and-excited-states-in-emph-ab-initio-systems-2211.00173"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-matrix-renormalization-group-for-transcorrelated-hamiltonians-ground-and-excited-states-in-emph-ab-initio-systems-2211.00173"/></url>
<url><loc>https://scifaro.com/en/abs/noise-and-thermodynamic-uncertainty-relation-in-underwater-molecular-junctions-2211.00179</loc><lastmod>2022-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noise-and-thermodynamic-uncertainty-relation-in-underwater-molecular-junctions-2211.00179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noise-and-thermodynamic-uncertainty-relation-in-underwater-molecular-junctions-2211.00179"/></url>
<url><loc>https://scifaro.com/en/abs/grid-based-state-space-exploration-for-molecular-binding-2211.00566</loc><lastmod>2022-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/grid-based-state-space-exploration-for-molecular-binding-2211.00566"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/grid-based-state-space-exploration-for-molecular-binding-2211.00566"/></url>
<url><loc>https://scifaro.com/en/abs/a-configuration-interaction-correction-on-top-of-pair-coupled-cluster-doubles-2211.00673</loc><lastmod>2023-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-configuration-interaction-correction-on-top-of-pair-coupled-cluster-doubles-2211.00673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-configuration-interaction-correction-on-top-of-pair-coupled-cluster-doubles-2211.00673"/></url>
<url><loc>https://scifaro.com/en/abs/atom-specific-probing-of-electron-dynamics-in-an-atomic-adsorbate-by-time-resolved-x-ray-spectroscopy-2211.00776</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atom-specific-probing-of-electron-dynamics-in-an-atomic-adsorbate-by-time-resolved-x-ray-spectroscopy-2211.00776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atom-specific-probing-of-electron-dynamics-in-an-atomic-adsorbate-by-time-resolved-x-ray-spectroscopy-2211.00776"/></url>
<url><loc>https://scifaro.com/en/abs/technologies-to-capture-co-2-directly-from-ambient-air-2211.00791</loc><lastmod>2022-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/technologies-to-capture-co-2-directly-from-ambient-air-2211.00791"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/technologies-to-capture-co-2-directly-from-ambient-air-2211.00791"/></url>
<url><loc>https://scifaro.com/en/abs/transition-dynamics-and-metastable-states-during-premelting-and-freezing-of-ice-surfaces-2211.01787</loc><lastmod>2023-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-dynamics-and-metastable-states-during-premelting-and-freezing-of-ice-surfaces-2211.01787"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-dynamics-and-metastable-states-during-premelting-and-freezing-of-ice-surfaces-2211.01787"/></url>
<url><loc>https://scifaro.com/en/abs/epitaxial-hexagonal-boron-nitride-for-hydrogen-generation-by-radiolysis-of-interfacial-water-2211.01953</loc><lastmod>2024-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/epitaxial-hexagonal-boron-nitride-for-hydrogen-generation-by-radiolysis-of-interfacial-water-2211.01953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/epitaxial-hexagonal-boron-nitride-for-hydrogen-generation-by-radiolysis-of-interfacial-water-2211.01953"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-simulations-of-carotenoid-photoexcited-states-using-density-matrix-renormalization-group-techniques-2211.02022</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-simulations-of-carotenoid-photoexcited-states-using-density-matrix-renormalization-group-techniques-2211.02022"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-simulations-of-carotenoid-photoexcited-states-using-density-matrix-renormalization-group-techniques-2211.02022"/></url>
<url><loc>https://scifaro.com/en/abs/comparison-of-matsubara-dynamics-with-exact-quantum-dynamics-for-an-oscillator-coupled-to-a-dissipative-bath-2211.02042</loc><lastmod>2026-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparison-of-matsubara-dynamics-with-exact-quantum-dynamics-for-an-oscillator-coupled-to-a-dissipative-bath-2211.02042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparison-of-matsubara-dynamics-with-exact-quantum-dynamics-for-an-oscillator-coupled-to-a-dissipative-bath-2211.02042"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-intramolecular-rearrangement-of-the-ch3ncs-radical-cation-2211.02191</loc><lastmod>2022-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-intramolecular-rearrangement-of-the-ch3ncs-radical-cation-2211.02191"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-intramolecular-rearrangement-of-the-ch3ncs-radical-cation-2211.02191"/></url>
<url><loc>https://scifaro.com/en/abs/beat-frequency-resolved-two-dimensional-electronic-spectroscopy-disentangling-vibrational-coherences-in-artificial-fluorescent-proteins-with-sub-10-fs-visible-laser-pulses-2211.02220</loc><lastmod>2023-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beat-frequency-resolved-two-dimensional-electronic-spectroscopy-disentangling-vibrational-coherences-in-artificial-fluorescent-proteins-with-sub-10-fs-visible-laser-pulses-2211.02220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beat-frequency-resolved-two-dimensional-electronic-spectroscopy-disentangling-vibrational-coherences-in-artificial-fluorescent-proteins-with-sub-10-fs-visible-laser-pulses-2211.02220"/></url>
<url><loc>https://scifaro.com/en/abs/photoexcited-state-dynamics-and-singlet-fission-in-carotenoids-2211.02267</loc><lastmod>2022-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoexcited-state-dynamics-and-singlet-fission-in-carotenoids-2211.02267"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoexcited-state-dynamics-and-singlet-fission-in-carotenoids-2211.02267"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-molecular-dynamics-simulation-based-on-variational-quantum-algorithms-2211.02302</loc><lastmod>2023-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-molecular-dynamics-simulation-based-on-variational-quantum-algorithms-2211.02302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-molecular-dynamics-simulation-based-on-variational-quantum-algorithms-2211.02302"/></url>
<url><loc>https://scifaro.com/en/abs/complementary-experimental-methods-to-obtain-thermodynamic-parameters-of-protein-ligand-systems-2211.02343</loc><lastmod>2022-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complementary-experimental-methods-to-obtain-thermodynamic-parameters-of-protein-ligand-systems-2211.02343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complementary-experimental-methods-to-obtain-thermodynamic-parameters-of-protein-ligand-systems-2211.02343"/></url>
<url><loc>https://scifaro.com/en/abs/the-bethe-salpeter-qed-wave-equation-for-bound-state-computations-of-atoms-and-molecules-2211.02389</loc><lastmod>2023-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-bethe-salpeter-qed-wave-equation-for-bound-state-computations-of-atoms-and-molecules-2211.02389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-bethe-salpeter-qed-wave-equation-for-bound-state-computations-of-atoms-and-molecules-2211.02389"/></url>
<url><loc>https://scifaro.com/en/abs/cavity-free-continuum-solvation-implementation-and-parametrization-in-a-multiwavelet-framework-2211.02461</loc><lastmod>2023-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cavity-free-continuum-solvation-implementation-and-parametrization-in-a-multiwavelet-framework-2211.02461"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cavity-free-continuum-solvation-implementation-and-parametrization-in-a-multiwavelet-framework-2211.02461"/></url>
<url><loc>https://scifaro.com/en/abs/non-linear-correlation-functions-and-zero-point-energy-flow-in-mixed-quantum-classical-semiclassical-dynamics-2211.02485</loc><lastmod>2023-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-linear-correlation-functions-and-zero-point-energy-flow-in-mixed-quantum-classical-semiclassical-dynamics-2211.02485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-linear-correlation-functions-and-zero-point-energy-flow-in-mixed-quantum-classical-semiclassical-dynamics-2211.02485"/></url>
<url><loc>https://scifaro.com/en/abs/a-universal-method-for-analysing-copolymer-growth-2211.02498</loc><lastmod>2023-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-universal-method-for-analysing-copolymer-growth-2211.02498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-universal-method-for-analysing-copolymer-growth-2211.02498"/></url>
<url><loc>https://scifaro.com/en/abs/ultrasensitive-surface-enhanced-raman-spectroscopy-detection-by-porous-silver-supraparticles-from-self-lubricating-drop-evaporation-2211.02611</loc><lastmod>2022-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrasensitive-surface-enhanced-raman-spectroscopy-detection-by-porous-silver-supraparticles-from-self-lubricating-drop-evaporation-2211.02611"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrasensitive-surface-enhanced-raman-spectroscopy-detection-by-porous-silver-supraparticles-from-self-lubricating-drop-evaporation-2211.02611"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-electrostatic-embedding-qm-mm-method-using-periodic-boundary-conditions-based-on-particle-mesh-ewald-sums-and-electrostatic-potential-fitted-charge-operators-2211.02683</loc><lastmod>2022-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-electrostatic-embedding-qm-mm-method-using-periodic-boundary-conditions-based-on-particle-mesh-ewald-sums-and-electrostatic-potential-fitted-charge-operators-2211.02683"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-electrostatic-embedding-qm-mm-method-using-periodic-boundary-conditions-based-on-particle-mesh-ewald-sums-and-electrostatic-potential-fitted-charge-operators-2211.02683"/></url>
<url><loc>https://scifaro.com/en/abs/state-specific-configuration-interaction-for-excited-states-2211.03048</loc><lastmod>2023-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-specific-configuration-interaction-for-excited-states-2211.03048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-specific-configuration-interaction-for-excited-states-2211.03048"/></url>
<url><loc>https://scifaro.com/en/abs/improved-torque-estimator-for-condensed-phase-quasicentroid-molecular-dynamics-2211.03099</loc><lastmod>2022-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-torque-estimator-for-condensed-phase-quasicentroid-molecular-dynamics-2211.03099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-torque-estimator-for-condensed-phase-quasicentroid-molecular-dynamics-2211.03099"/></url>
<url><loc>https://scifaro.com/en/abs/is-explicitly-correlated-double-hybrid-dft-advantageous-for-vibrational-frequencies-2211.03105</loc><lastmod>2022-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-explicitly-correlated-double-hybrid-dft-advantageous-for-vibrational-frequencies-2211.03105"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-explicitly-correlated-double-hybrid-dft-advantageous-for-vibrational-frequencies-2211.03105"/></url>
<url><loc>https://scifaro.com/en/abs/direct-deduction-of-chemical-class-from-nmr-spectra-2211.03173</loc><lastmod>2023-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-deduction-of-chemical-class-from-nmr-spectra-2211.03173"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-deduction-of-chemical-class-from-nmr-spectra-2211.03173"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-formulation-of-the-second-order-derivative-of-energy-for-orbital-optimized-variational-quantum-eigensolver-application-to-polarizability-2211.03343</loc><lastmod>2023-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-formulation-of-the-second-order-derivative-of-energy-for-orbital-optimized-variational-quantum-eigensolver-application-to-polarizability-2211.03343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-formulation-of-the-second-order-derivative-of-energy-for-orbital-optimized-variational-quantum-eigensolver-application-to-polarizability-2211.03343"/></url>
<url><loc>https://scifaro.com/en/abs/multi-site-reaction-dynamics-through-multi-fragment-density-matrix-embedding-2211.03728</loc><lastmod>2023-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-site-reaction-dynamics-through-multi-fragment-density-matrix-embedding-2211.03728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-site-reaction-dynamics-through-multi-fragment-density-matrix-embedding-2211.03728"/></url>
<url><loc>https://scifaro.com/en/abs/self-consistent-implementation-of-locally-scaled-self-interaction-correction-method-2211.03931</loc><lastmod>2023-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-consistent-implementation-of-locally-scaled-self-interaction-correction-method-2211.03931"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-consistent-implementation-of-locally-scaled-self-interaction-correction-method-2211.03931"/></url>
<url><loc>https://scifaro.com/en/abs/spin-state-gaps-and-self-interaction-corrected-density-functional-approximations-octahedral-fe-ii-complexes-as-case-study-2211.03935</loc><lastmod>2023-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-state-gaps-and-self-interaction-corrected-density-functional-approximations-octahedral-fe-ii-complexes-as-case-study-2211.03935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-state-gaps-and-self-interaction-corrected-density-functional-approximations-octahedral-fe-ii-complexes-as-case-study-2211.03935"/></url>
<url><loc>https://scifaro.com/en/abs/ground-and-excited-state-dipole-moments-and-oscillator-strengths-of-full-configuration-interaction-quality-2211.04120</loc><lastmod>2023-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ground-and-excited-state-dipole-moments-and-oscillator-strengths-of-full-configuration-interaction-quality-2211.04120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ground-and-excited-state-dipole-moments-and-oscillator-strengths-of-full-configuration-interaction-quality-2211.04120"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-ring-polymer-molecular-dynamics-in-the-phase-space-of-the-su-n-lie-group-2211.04330</loc><lastmod>2023-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-ring-polymer-molecular-dynamics-in-the-phase-space-of-the-su-n-lie-group-2211.04330"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-ring-polymer-molecular-dynamics-in-the-phase-space-of-the-su-n-lie-group-2211.04330"/></url>
<url><loc>https://scifaro.com/en/abs/crumbling-crystals-on-the-dissolution-mechanism-of-nacl-in-water-2211.04345</loc><lastmod>2022-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/crumbling-crystals-on-the-dissolution-mechanism-of-nacl-in-water-2211.04345"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/crumbling-crystals-on-the-dissolution-mechanism-of-nacl-in-water-2211.04345"/></url>
<url><loc>https://scifaro.com/en/abs/electron-diffraction-of-water-in-no-man-s-land-2211.04419</loc><lastmod>2023-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-diffraction-of-water-in-no-man-s-land-2211.04419"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-diffraction-of-water-in-no-man-s-land-2211.04419"/></url>
<url><loc>https://scifaro.com/en/abs/experimental-characterization-of-the-energetics-of-low-temperature-surface-reactions-2211.04437</loc><lastmod>2022-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-characterization-of-the-energetics-of-low-temperature-surface-reactions-2211.04437"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-characterization-of-the-energetics-of-low-temperature-surface-reactions-2211.04437"/></url>
<url><loc>https://scifaro.com/en/abs/robust-inversion-of-time-resolved-data-via-forward-optimisation-in-a-trajectory-basis-2211.04766</loc><lastmod>2024-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-inversion-of-time-resolved-data-via-forward-optimisation-in-a-trajectory-basis-2211.04766"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-inversion-of-time-resolved-data-via-forward-optimisation-in-a-trajectory-basis-2211.04766"/></url>
<url><loc>https://scifaro.com/en/abs/uncertainties-in-the-transport-properties-of-helium-gas-at-cryogenic-temperatures-determined-using-molecular-dynamics-simulation-2211.05154</loc><lastmod>2024-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncertainties-in-the-transport-properties-of-helium-gas-at-cryogenic-temperatures-determined-using-molecular-dynamics-simulation-2211.05154"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncertainties-in-the-transport-properties-of-helium-gas-at-cryogenic-temperatures-determined-using-molecular-dynamics-simulation-2211.05154"/></url>
<url><loc>https://scifaro.com/en/abs/proton-transfer-at-subkelvin-temperatures-2211.05374</loc><lastmod>2022-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proton-transfer-at-subkelvin-temperatures-2211.05374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proton-transfer-at-subkelvin-temperatures-2211.05374"/></url>
<url><loc>https://scifaro.com/en/abs/towards-chemical-accuracy-using-the-jastrow-correlated-antisymmetrized-geminal-power-ansatz-2211.05447</loc><lastmod>2023-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-chemical-accuracy-using-the-jastrow-correlated-antisymmetrized-geminal-power-ansatz-2211.05447"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-chemical-accuracy-using-the-jastrow-correlated-antisymmetrized-geminal-power-ansatz-2211.05447"/></url>
<url><loc>https://scifaro.com/en/abs/vibropolaritonic-reaction-rates-in-the-collective-strong-coupling-regime-pollak-grabert-h-anggi-theory-2211.05820</loc><lastmod>2023-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibropolaritonic-reaction-rates-in-the-collective-strong-coupling-regime-pollak-grabert-h-anggi-theory-2211.05820"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibropolaritonic-reaction-rates-in-the-collective-strong-coupling-regime-pollak-grabert-h-anggi-theory-2211.05820"/></url>
<url><loc>https://scifaro.com/en/abs/potential-curves-illustrating-a-dissipative-self-assembly-system-and-the-meaning-of-away-from-equilibrium-2211.06147</loc><lastmod>2022-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/potential-curves-illustrating-a-dissipative-self-assembly-system-and-the-meaning-of-away-from-equilibrium-2211.06147"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/potential-curves-illustrating-a-dissipative-self-assembly-system-and-the-meaning-of-away-from-equilibrium-2211.06147"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-spin-orbit-coupling-with-quasidegenerate-n-electron-valence-perturbation-theory-2211.06466</loc><lastmod>2023-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-spin-orbit-coupling-with-quasidegenerate-n-electron-valence-perturbation-theory-2211.06466"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-spin-orbit-coupling-with-quasidegenerate-n-electron-valence-perturbation-theory-2211.06466"/></url>
<url><loc>https://scifaro.com/en/abs/adaptive-basis-sets-for-practical-quantum-computing-2211.06471</loc><lastmod>2022-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adaptive-basis-sets-for-practical-quantum-computing-2211.06471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adaptive-basis-sets-for-practical-quantum-computing-2211.06471"/></url>
<url><loc>https://scifaro.com/en/abs/self-diffusion-and-shear-viscosity-for-the-tip4p-ice-water-model-2211.06713</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-diffusion-and-shear-viscosity-for-the-tip4p-ice-water-model-2211.06713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-diffusion-and-shear-viscosity-for-the-tip4p-ice-water-model-2211.06713"/></url>
<url><loc>https://scifaro.com/en/abs/applications-of-the-spectral-theory-of-chemical-bonding-to-simple-hydrocarbons-2211.06923</loc><lastmod>2023-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/applications-of-the-spectral-theory-of-chemical-bonding-to-simple-hydrocarbons-2211.06923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/applications-of-the-spectral-theory-of-chemical-bonding-to-simple-hydrocarbons-2211.06923"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-diffusion-monte-carlo-forces-2211.07103</loc><lastmod>2022-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-diffusion-monte-carlo-forces-2211.07103"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-diffusion-monte-carlo-forces-2211.07103"/></url>
<url><loc>https://scifaro.com/en/abs/photoionization-and-core-resonances-from-range-separated-time-dependent-density-functional-theory-for-open-shell-states-example-of-the-lithium-atom-2211.07179</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoionization-and-core-resonances-from-range-separated-time-dependent-density-functional-theory-for-open-shell-states-example-of-the-lithium-atom-2211.07179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoionization-and-core-resonances-from-range-separated-time-dependent-density-functional-theory-for-open-shell-states-example-of-the-lithium-atom-2211.07179"/></url>
<url><loc>https://scifaro.com/en/abs/using-machine-learning-hamiltonians-to-compute-molecular-motor-barrier-heights-2211.07181</loc><lastmod>2022-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-machine-learning-hamiltonians-to-compute-molecular-motor-barrier-heights-2211.07181"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-machine-learning-hamiltonians-to-compute-molecular-motor-barrier-heights-2211.07181"/></url>
<url><loc>https://scifaro.com/en/abs/berry-population-analysis-atomic-charges-from-the-berry-curvature-in-a-magnetic-field-2211.07240</loc><lastmod>2022-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/berry-population-analysis-atomic-charges-from-the-berry-curvature-in-a-magnetic-field-2211.07240"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/berry-population-analysis-atomic-charges-from-the-berry-curvature-in-a-magnetic-field-2211.07240"/></url>
<url><loc>https://scifaro.com/en/abs/quadripartite-bond-length-rule-applied-to-two-prototypical-aromatic-and-antiaromatic-molecules-2211.07334</loc><lastmod>2023-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quadripartite-bond-length-rule-applied-to-two-prototypical-aromatic-and-antiaromatic-molecules-2211.07334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quadripartite-bond-length-rule-applied-to-two-prototypical-aromatic-and-antiaromatic-molecules-2211.07334"/></url>
<url><loc>https://scifaro.com/en/abs/large-z-atoms-in-the-strong-interaction-limit-of-dft-implications-for-gradient-expansions-and-for-the-lieb-oxford-bound-2211.07512</loc><lastmod>2023-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/large-z-atoms-in-the-strong-interaction-limit-of-dft-implications-for-gradient-expansions-and-for-the-lieb-oxford-bound-2211.07512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/large-z-atoms-in-the-strong-interaction-limit-of-dft-implications-for-gradient-expansions-and-for-the-lieb-oxford-bound-2211.07512"/></url>
<url><loc>https://scifaro.com/en/abs/symmetric-post-transition-state-bifurcation-reactions-with-berry-pseudo-magnetic-fields-2211.07731</loc><lastmod>2022-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetric-post-transition-state-bifurcation-reactions-with-berry-pseudo-magnetic-fields-2211.07731"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetric-post-transition-state-bifurcation-reactions-with-berry-pseudo-magnetic-fields-2211.07731"/></url>
<url><loc>https://scifaro.com/en/abs/collective-variables-for-conformational-polymorphism-in-molecular-crystals-2211.07746</loc><lastmod>2023-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collective-variables-for-conformational-polymorphism-in-molecular-crystals-2211.07746"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collective-variables-for-conformational-polymorphism-in-molecular-crystals-2211.07746"/></url>
<url><loc>https://scifaro.com/en/abs/magnet-free-time-resolved-magnetic-circular-dichroism-with-pulsed-vector-beams-2211.07839</loc><lastmod>2022-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnet-free-time-resolved-magnetic-circular-dichroism-with-pulsed-vector-beams-2211.07839"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnet-free-time-resolved-magnetic-circular-dichroism-with-pulsed-vector-beams-2211.07839"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-based-prediction-of-small-molecule-surface-interaction-potentials-2211.07999</loc><lastmod>2022-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-based-prediction-of-small-molecule-surface-interaction-potentials-2211.07999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-based-prediction-of-small-molecule-surface-interaction-potentials-2211.07999"/></url>
<url><loc>https://scifaro.com/en/abs/the-desorption-rate-at-liquid-solid-interface-2211.08122</loc><lastmod>2022-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-desorption-rate-at-liquid-solid-interface-2211.08122"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-desorption-rate-at-liquid-solid-interface-2211.08122"/></url>
<url><loc>https://scifaro.com/en/abs/distinguishing-dynamic-phase-catalysis-in-cu-based-nanostructures-under-reverse-water-gas-shift-reaction-2211.08554</loc><lastmod>2022-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/distinguishing-dynamic-phase-catalysis-in-cu-based-nanostructures-under-reverse-water-gas-shift-reaction-2211.08554"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/distinguishing-dynamic-phase-catalysis-in-cu-based-nanostructures-under-reverse-water-gas-shift-reaction-2211.08554"/></url>
<url><loc>https://scifaro.com/en/abs/ionization-induced-long-lasting-orientation-of-symmetric-top-molecules-2211.08795</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionization-induced-long-lasting-orientation-of-symmetric-top-molecules-2211.08795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionization-induced-long-lasting-orientation-of-symmetric-top-molecules-2211.08795"/></url>
<url><loc>https://scifaro.com/en/abs/measurement-of-doppler-effects-in-cryogenic-buffer-gas-cell-2211.09015</loc><lastmod>2023-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurement-of-doppler-effects-in-cryogenic-buffer-gas-cell-2211.09015"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurement-of-doppler-effects-in-cryogenic-buffer-gas-cell-2211.09015"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-decoherence-and-memory-effects-in-green-fluorescent-proteins-by-dielectric-relaxation-2211.09408</loc><lastmod>2024-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-decoherence-and-memory-effects-in-green-fluorescent-proteins-by-dielectric-relaxation-2211.09408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-decoherence-and-memory-effects-in-green-fluorescent-proteins-by-dielectric-relaxation-2211.09408"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-simulations-of-tip-enhanced-raman-scattering-reveal-active-role-of-substrate-on-high-resolution-images-2211.09475</loc><lastmod>2023-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-simulations-of-tip-enhanced-raman-scattering-reveal-active-role-of-substrate-on-high-resolution-images-2211.09475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-simulations-of-tip-enhanced-raman-scattering-reveal-active-role-of-substrate-on-high-resolution-images-2211.09475"/></url>
<url><loc>https://scifaro.com/en/abs/comment-on-canonical-transcorrelated-theory-with-projected-slater-type-geminals-j-chem-phys-136-084107-2012-2211.09685</loc><lastmod>2023-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comment-on-canonical-transcorrelated-theory-with-projected-slater-type-geminals-j-chem-phys-136-084107-2012-2211.09685"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comment-on-canonical-transcorrelated-theory-with-projected-slater-type-geminals-j-chem-phys-136-084107-2012-2211.09685"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-and-eliminating-spurious-modes-in-variational-monte-carlo-using-collective-variables-2211.09767</loc><lastmod>2023-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-and-eliminating-spurious-modes-in-variational-monte-carlo-using-collective-variables-2211.09767"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-and-eliminating-spurious-modes-in-variational-monte-carlo-using-collective-variables-2211.09767"/></url>
<url><loc>https://scifaro.com/en/abs/curing-the-divergence-in-time-dependent-density-functional-quadratic-response-theory-2211.09885</loc><lastmod>2023-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/curing-the-divergence-in-time-dependent-density-functional-quadratic-response-theory-2211.09885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/curing-the-divergence-in-time-dependent-density-functional-quadratic-response-theory-2211.09885"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-multiconfiguration-self-consistent-field-and-time-dependent-optimized-coupled-cluster-methods-for-intense-laser-driven-multielectron-dynamics-2211.10116</loc><lastmod>2022-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-multiconfiguration-self-consistent-field-and-time-dependent-optimized-coupled-cluster-methods-for-intense-laser-driven-multielectron-dynamics-2211.10116"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-multiconfiguration-self-consistent-field-and-time-dependent-optimized-coupled-cluster-methods-for-intense-laser-driven-multielectron-dynamics-2211.10116"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-classical-dynamics-of-vibration-induced-autoionization-in-molecules-2211.10218</loc><lastmod>2023-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-classical-dynamics-of-vibration-induced-autoionization-in-molecules-2211.10218"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-classical-dynamics-of-vibration-induced-autoionization-in-molecules-2211.10218"/></url>
<url><loc>https://scifaro.com/en/abs/ultracold-sticky-collisions-theoretical-and-experimental-status-2211.10223</loc><lastmod>2023-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultracold-sticky-collisions-theoretical-and-experimental-status-2211.10223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultracold-sticky-collisions-theoretical-and-experimental-status-2211.10223"/></url>
<url><loc>https://scifaro.com/en/abs/collision-induced-three-body-polarizability-of-helium-2211.10393</loc><lastmod>2023-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collision-induced-three-body-polarizability-of-helium-2211.10393"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collision-induced-three-body-polarizability-of-helium-2211.10393"/></url>
<url><loc>https://scifaro.com/en/abs/overcoming-positivity-violations-for-density-matrices-in-surface-hopping-2211.10730</loc><lastmod>2023-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/overcoming-positivity-violations-for-density-matrices-in-surface-hopping-2211.10730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/overcoming-positivity-violations-for-density-matrices-in-surface-hopping-2211.10730"/></url>
<url><loc>https://scifaro.com/en/abs/tetrel-bonding-in-anion-recognition-a-first-principles-investigation-2211.11342</loc><lastmod>2022-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tetrel-bonding-in-anion-recognition-a-first-principles-investigation-2211.11342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tetrel-bonding-in-anion-recognition-a-first-principles-investigation-2211.11342"/></url>
<url><loc>https://scifaro.com/en/abs/photoelectrochemical-water-splitting-with-ito-wo3-bivo4-copi-multishell-nanotubes-fabricated-by-soft-templating-in-vacuum-2211.11558</loc><lastmod>2022-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoelectrochemical-water-splitting-with-ito-wo3-bivo4-copi-multishell-nanotubes-fabricated-by-soft-templating-in-vacuum-2211.11558"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoelectrochemical-water-splitting-with-ito-wo3-bivo4-copi-multishell-nanotubes-fabricated-by-soft-templating-in-vacuum-2211.11558"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemical-computations-of-gas-phase-glycolaldehyde-deuteration-and-constraints-to-its-formation-route-2211.11563</loc><lastmod>2022-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemical-computations-of-gas-phase-glycolaldehyde-deuteration-and-constraints-to-its-formation-route-2211.11563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemical-computations-of-gas-phase-glycolaldehyde-deuteration-and-constraints-to-its-formation-route-2211.11563"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-the-accuracy-of-hybrid-exchange-correlation-functionals-for-the-density-response-of-warm-dense-electrons-2211.11688</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-the-accuracy-of-hybrid-exchange-correlation-functionals-for-the-density-response-of-warm-dense-electrons-2211.11688"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-the-accuracy-of-hybrid-exchange-correlation-functionals-for-the-density-response-of-warm-dense-electrons-2211.11688"/></url>
<url><loc>https://scifaro.com/en/abs/enhancement-of-parity-violating-energy-difference-of-chfclbr-chfcli-and-chfbri-by-breaking-the-cancellation-among-valence-orbital-contributions-2211.12010</loc><lastmod>2022-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancement-of-parity-violating-energy-difference-of-chfclbr-chfcli-and-chfbri-by-breaking-the-cancellation-among-valence-orbital-contributions-2211.12010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancement-of-parity-violating-energy-difference-of-chfclbr-chfcli-and-chfbri-by-breaking-the-cancellation-among-valence-orbital-contributions-2211.12010"/></url>
<url><loc>https://scifaro.com/en/abs/new-implementation-of-an-equation-of-motion-coupled-cluster-damped-response-framework-with-illustrative-applications-to-resonant-inelastic-x-ray-scattering-2211.12215</loc><lastmod>2023-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/new-implementation-of-an-equation-of-motion-coupled-cluster-damped-response-framework-with-illustrative-applications-to-resonant-inelastic-x-ray-scattering-2211.12215"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/new-implementation-of-an-equation-of-motion-coupled-cluster-damped-response-framework-with-illustrative-applications-to-resonant-inelastic-x-ray-scattering-2211.12215"/></url>
<url><loc>https://scifaro.com/en/abs/simulation-of-potential-and-species-distribution-in-a-li-bi-liquid-metal-battery-using-coupled-meshes-2211.12466</loc><lastmod>2023-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulation-of-potential-and-species-distribution-in-a-li-bi-liquid-metal-battery-using-coupled-meshes-2211.12466"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulation-of-potential-and-species-distribution-in-a-li-bi-liquid-metal-battery-using-coupled-meshes-2211.12466"/></url>
<url><loc>https://scifaro.com/en/abs/how-to-validate-machine-learned-interatomic-potentials-2211.12484</loc><lastmod>2023-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-to-validate-machine-learned-interatomic-potentials-2211.12484"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-to-validate-machine-learned-interatomic-potentials-2211.12484"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-steric-effects-on-hydrogen-atom-transfer-reactions-2211.12609</loc><lastmod>2022-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-steric-effects-on-hydrogen-atom-transfer-reactions-2211.12609"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-steric-effects-on-hydrogen-atom-transfer-reactions-2211.12609"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-study-of-plasmon-mediated-chemical-transformations-2211.12625</loc><lastmod>2023-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-study-of-plasmon-mediated-chemical-transformations-2211.12625"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-study-of-plasmon-mediated-chemical-transformations-2211.12625"/></url>
<url><loc>https://scifaro.com/en/abs/triple-excitations-in-green-s-function-coupled-cluster-solver-for-studies-of-strongly-correlated-systems-in-the-framework-of-self-energy-embedding-theory-2211.12680</loc><lastmod>2023-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/triple-excitations-in-green-s-function-coupled-cluster-solver-for-studies-of-strongly-correlated-systems-in-the-framework-of-self-energy-embedding-theory-2211.12680"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/triple-excitations-in-green-s-function-coupled-cluster-solver-for-studies-of-strongly-correlated-systems-in-the-framework-of-self-energy-embedding-theory-2211.12680"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-interactions-of-aromatic-molecules-with-alkali-metal-and-alkaline-earth-metal-atoms-2211.13088</loc><lastmod>2023-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-interactions-of-aromatic-molecules-with-alkali-metal-and-alkaline-earth-metal-atoms-2211.13088"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-interactions-of-aromatic-molecules-with-alkali-metal-and-alkaline-earth-metal-atoms-2211.13088"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-sampling-for-free-energy-profiles-with-post-transition-state-bifurcations-2211.13394</loc><lastmod>2023-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-sampling-for-free-energy-profiles-with-post-transition-state-bifurcations-2211.13394"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-sampling-for-free-energy-profiles-with-post-transition-state-bifurcations-2211.13394"/></url>
<url><loc>https://scifaro.com/en/abs/twisted-carotenoids-do-not-support-efficient-intramolecular-singlet-fission-in-the-orange-carotenoid-protein-2211.13439</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/twisted-carotenoids-do-not-support-efficient-intramolecular-singlet-fission-in-the-orange-carotenoid-protein-2211.13439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/twisted-carotenoids-do-not-support-efficient-intramolecular-singlet-fission-in-the-orange-carotenoid-protein-2211.13439"/></url>
<url><loc>https://scifaro.com/en/abs/a-self-attention-ansatz-for-ab-initio-quantum-chemistry-2211.13672</loc><lastmod>2023-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-self-attention-ansatz-for-ab-initio-quantum-chemistry-2211.13672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-self-attention-ansatz-for-ab-initio-quantum-chemistry-2211.13672"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-anomalously-low-dielectric-constant-of-confined-water-an-ab-initio-study-2211.14035</loc><lastmod>2022-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-anomalously-low-dielectric-constant-of-confined-water-an-ab-initio-study-2211.14035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-anomalously-low-dielectric-constant-of-confined-water-an-ab-initio-study-2211.14035"/></url>
<url><loc>https://scifaro.com/en/abs/ultra-fast-semi-empirical-quantum-chemistry-for-high-throughput-computational-campaigns-with-sparrow-2211.14392</loc><lastmod>2023-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultra-fast-semi-empirical-quantum-chemistry-for-high-throughput-computational-campaigns-with-sparrow-2211.14392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultra-fast-semi-empirical-quantum-chemistry-for-high-throughput-computational-campaigns-with-sparrow-2211.14392"/></url>
<url><loc>https://scifaro.com/en/abs/supervised-pretraining-for-molecular-force-fields-and-properties-prediction-2211.14429</loc><lastmod>2022-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/supervised-pretraining-for-molecular-force-fields-and-properties-prediction-2211.14429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/supervised-pretraining-for-molecular-force-fields-and-properties-prediction-2211.14429"/></url>
<url><loc>https://scifaro.com/en/abs/an-alternative-derivation-of-orbital-free-density-functional-theory-2211.14441</loc><lastmod>2022-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-alternative-derivation-of-orbital-free-density-functional-theory-2211.14441"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-alternative-derivation-of-orbital-free-density-functional-theory-2211.14441"/></url>
<url><loc>https://scifaro.com/en/abs/high-throughput-ab-initio-reaction-mechanism-exploration-in-the-cloud-with-automated-multi-reference-validation-2211.14688</loc><lastmod>2023-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-throughput-ab-initio-reaction-mechanism-exploration-in-the-cloud-with-automated-multi-reference-validation-2211.14688"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-throughput-ab-initio-reaction-mechanism-exploration-in-the-cloud-with-automated-multi-reference-validation-2211.14688"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-investigation-of-the-x-ray-stark-effect-in-small-molecules-2211.14940</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-investigation-of-the-x-ray-stark-effect-in-small-molecules-2211.14940"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-investigation-of-the-x-ray-stark-effect-in-small-molecules-2211.14940"/></url>
<url><loc>https://scifaro.com/en/abs/characterizing-reaction-route-map-of-realistic-molecular-reactions-based-on-weight-rank-clique-filtration-of-persistent-homology-2211.15067</loc><lastmod>2024-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterizing-reaction-route-map-of-realistic-molecular-reactions-based-on-weight-rank-clique-filtration-of-persistent-homology-2211.15067"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterizing-reaction-route-map-of-realistic-molecular-reactions-based-on-weight-rank-clique-filtration-of-persistent-homology-2211.15067"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-symmetric-vibrational-modes-in-the-dehoherence-of-correlation-driven-charge-migration-2211.15399</loc><lastmod>2023-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-symmetric-vibrational-modes-in-the-dehoherence-of-correlation-driven-charge-migration-2211.15399"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-symmetric-vibrational-modes-in-the-dehoherence-of-correlation-driven-charge-migration-2211.15399"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-and-optimization-of-resonance-energies-and-widths-using-complex-absorbing-potentials-2211.15629</loc><lastmod>2022-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-and-optimization-of-resonance-energies-and-widths-using-complex-absorbing-potentials-2211.15629"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-and-optimization-of-resonance-energies-and-widths-using-complex-absorbing-potentials-2211.15629"/></url>
<url><loc>https://scifaro.com/en/abs/emreact-a-tool-for-modelling-electromagnetic-field-induced-effects-in-chemical-reactions-by-solving-the-discrete-stochastic-master-equation-2211.15812</loc><lastmod>2022-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/emreact-a-tool-for-modelling-electromagnetic-field-induced-effects-in-chemical-reactions-by-solving-the-discrete-stochastic-master-equation-2211.15812"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/emreact-a-tool-for-modelling-electromagnetic-field-induced-effects-in-chemical-reactions-by-solving-the-discrete-stochastic-master-equation-2211.15812"/></url>
<url><loc>https://scifaro.com/en/abs/a-mean-field-treatment-of-vacuum-fluctuations-in-strong-light-matter-coupling-2211.15949</loc><lastmod>2023-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mean-field-treatment-of-vacuum-fluctuations-in-strong-light-matter-coupling-2211.15949"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mean-field-treatment-of-vacuum-fluctuations-in-strong-light-matter-coupling-2211.15949"/></url>
<url><loc>https://scifaro.com/en/abs/implementation-of-bounded-diffusion-impedance-in-a-model-pyeis-to-correctly-simulate-flow-gradient-on-channel-electrode-in-microfluidics-2211.16148</loc><lastmod>2022-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/implementation-of-bounded-diffusion-impedance-in-a-model-pyeis-to-correctly-simulate-flow-gradient-on-channel-electrode-in-microfluidics-2211.16148"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/implementation-of-bounded-diffusion-impedance-in-a-model-pyeis-to-correctly-simulate-flow-gradient-on-channel-electrode-in-microfluidics-2211.16148"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-chiral-sensitivity-of-coulomb-focused-electrons-in-strong-field-ionization-2211.16160</loc><lastmod>2022-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-chiral-sensitivity-of-coulomb-focused-electrons-in-strong-field-ionization-2211.16160"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-chiral-sensitivity-of-coulomb-focused-electrons-in-strong-field-ionization-2211.16160"/></url>
<url><loc>https://scifaro.com/en/abs/jumping-kinetic-monte-carlo-fast-and-accurate-simulations-of-partially-delocalised-charge-transport-in-organic-semiconductors-2211.16165</loc><lastmod>2023-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/jumping-kinetic-monte-carlo-fast-and-accurate-simulations-of-partially-delocalised-charge-transport-in-organic-semiconductors-2211.16165"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/jumping-kinetic-monte-carlo-fast-and-accurate-simulations-of-partially-delocalised-charge-transport-in-organic-semiconductors-2211.16165"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-corrected-fragment-molecular-orbital-density-functional-tight-binding-method-for-excited-states-in-large-molecular-systems-2211.16248</loc><lastmod>2023-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-corrected-fragment-molecular-orbital-density-functional-tight-binding-method-for-excited-states-in-large-molecular-systems-2211.16248"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-corrected-fragment-molecular-orbital-density-functional-tight-binding-method-for-excited-states-in-large-molecular-systems-2211.16248"/></url>
<url><loc>https://scifaro.com/en/abs/towards-pair-atomic-density-fitting-for-correlation-energies-with-benchmark-accuracy-2211.16310</loc><lastmod>2023-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-pair-atomic-density-fitting-for-correlation-energies-with-benchmark-accuracy-2211.16310"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-pair-atomic-density-fitting-for-correlation-energies-with-benchmark-accuracy-2211.16310"/></url>
<url><loc>https://scifaro.com/en/abs/the-interplay-between-disorder-local-relaxation-and-collective-behaviors-for-an-ensemble-of-emitters-outside-vs-inside-cavity-2211.16325</loc><lastmod>2022-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-interplay-between-disorder-local-relaxation-and-collective-behaviors-for-an-ensemble-of-emitters-outside-vs-inside-cavity-2211.16325"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-interplay-between-disorder-local-relaxation-and-collective-behaviors-for-an-ensemble-of-emitters-outside-vs-inside-cavity-2211.16325"/></url>
<url><loc>https://scifaro.com/en/abs/exact-two-component-tddft-with-simple-two-electron-picture-change-corrections-x-ray-absorption-spectra-near-l-and-m-edges-of-four-component-quality-at-two-component-cost-2211.16378</loc><lastmod>2023-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-two-component-tddft-with-simple-two-electron-picture-change-corrections-x-ray-absorption-spectra-near-l-and-m-edges-of-four-component-quality-at-two-component-cost-2211.16378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-two-component-tddft-with-simple-two-electron-picture-change-corrections-x-ray-absorption-spectra-near-l-and-m-edges-of-four-component-quality-at-two-component-cost-2211.16378"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-relativistic-real-time-time-dependent-density-functional-theory-for-valence-and-core-attosecond-transient-absorption-spectroscopy-2211.16383</loc><lastmod>2023-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-relativistic-real-time-time-dependent-density-functional-theory-for-valence-and-core-attosecond-transient-absorption-spectroscopy-2211.16383"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-relativistic-real-time-time-dependent-density-functional-theory-for-valence-and-core-attosecond-transient-absorption-spectroscopy-2211.16383"/></url>
<url><loc>https://scifaro.com/en/abs/synthetic-data-enable-experiments-in-atomistic-machine-learning-2211.16443</loc><lastmod>2022-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthetic-data-enable-experiments-in-atomistic-machine-learning-2211.16443"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthetic-data-enable-experiments-in-atomistic-machine-learning-2211.16443"/></url>
<url><loc>https://scifaro.com/en/abs/uv-vis-to-ir-photonic-down-conversion-mediated-by-excited-state-vibrational-polaritons-2211.16613</loc><lastmod>2022-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uv-vis-to-ir-photonic-down-conversion-mediated-by-excited-state-vibrational-polaritons-2211.16613"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uv-vis-to-ir-photonic-down-conversion-mediated-by-excited-state-vibrational-polaritons-2211.16613"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-potentials-from-transfer-learning-of-periodic-correlated-electronic-structure-methods-application-to-liquid-water-with-afqmc-ccsd-and-ccsd-t-2211.16619</loc><lastmod>2022-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-potentials-from-transfer-learning-of-periodic-correlated-electronic-structure-methods-application-to-liquid-water-with-afqmc-ccsd-and-ccsd-t-2211.16619"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-potentials-from-transfer-learning-of-periodic-correlated-electronic-structure-methods-application-to-liquid-water-with-afqmc-ccsd-and-ccsd-t-2211.16619"/></url>
<url><loc>https://scifaro.com/en/abs/the-structure-of-the-density-potential-mapping-part-i-standard-density-functional-theory-2211.16627</loc><lastmod>2024-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-structure-of-the-density-potential-mapping-part-i-standard-density-functional-theory-2211.16627"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-structure-of-the-density-potential-mapping-part-i-standard-density-functional-theory-2211.16627"/></url>
<url><loc>https://scifaro.com/en/abs/inverse-molecular-design-and-parameter-optimization-with-h-uckel-theory-using-automatic-differentiation-2211.16763</loc><lastmod>2024-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inverse-molecular-design-and-parameter-optimization-with-h-uckel-theory-using-automatic-differentiation-2211.16763"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inverse-molecular-design-and-parameter-optimization-with-h-uckel-theory-using-automatic-differentiation-2211.16763"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-implementation-and-performance-analysis-of-the-independent-electron-surface-hopping-method-for-dynamics-at-metal-surfaces-2212.00518</loc><lastmod>2023-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-implementation-and-performance-analysis-of-the-independent-electron-surface-hopping-method-for-dynamics-at-metal-surfaces-2212.00518"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-implementation-and-performance-analysis-of-the-independent-electron-surface-hopping-method-for-dynamics-at-metal-surfaces-2212.00518"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-atom-electronic-basis-sets-for-multicomponent-quantum-chemistry-2212.00520</loc><lastmod>2022-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-atom-electronic-basis-sets-for-multicomponent-quantum-chemistry-2212.00520"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-atom-electronic-basis-sets-for-multicomponent-quantum-chemistry-2212.00520"/></url>
<url><loc>https://scifaro.com/en/abs/non-empirical-mixing-coefficient-for-hybrid-xc-functionals-from-analysis-of-the-xc-kernel-2212.00644</loc><lastmod>2023-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-empirical-mixing-coefficient-for-hybrid-xc-functionals-from-analysis-of-the-xc-kernel-2212.00644"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-empirical-mixing-coefficient-for-hybrid-xc-functionals-from-analysis-of-the-xc-kernel-2212.00644"/></url>
<url><loc>https://scifaro.com/en/abs/deposition-of-reduced-graphene-oxide-thin-film-by-spray-pyrolysis-method-for-perovskite-solar-cell-2212.01066</loc><lastmod>2022-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deposition-of-reduced-graphene-oxide-thin-film-by-spray-pyrolysis-method-for-perovskite-solar-cell-2212.01066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deposition-of-reduced-graphene-oxide-thin-film-by-spray-pyrolysis-method-for-perovskite-solar-cell-2212.01066"/></url>
<url><loc>https://scifaro.com/en/abs/local-order-fluctuations-in-kob-andersen-type-glass-formers-2212.01161</loc><lastmod>2022-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-order-fluctuations-in-kob-andersen-type-glass-formers-2212.01161"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-order-fluctuations-in-kob-andersen-type-glass-formers-2212.01161"/></url>
<url><loc>https://scifaro.com/en/abs/gibbs-helmholtz-graph-neural-network-capturing-the-temperature-dependency-of-activity-coefficients-at-infinite-dilution-2212.01199</loc><lastmod>2023-05-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gibbs-helmholtz-graph-neural-network-capturing-the-temperature-dependency-of-activity-coefficients-at-infinite-dilution-2212.01199"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gibbs-helmholtz-graph-neural-network-capturing-the-temperature-dependency-of-activity-coefficients-at-infinite-dilution-2212.01199"/></url>
<url><loc>https://scifaro.com/en/abs/obtaining-transferable-chemical-insight-from-solving-machine-learning-classification-problems-thermodynamical-properties-prediction-atomic-composition-as-good-as-coulomb-matrix-2212.01420</loc><lastmod>2022-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/obtaining-transferable-chemical-insight-from-solving-machine-learning-classification-problems-thermodynamical-properties-prediction-atomic-composition-as-good-as-coulomb-matrix-2212.01420"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/obtaining-transferable-chemical-insight-from-solving-machine-learning-classification-problems-thermodynamical-properties-prediction-atomic-composition-as-good-as-coulomb-matrix-2212.01420"/></url>
<url><loc>https://scifaro.com/en/abs/outstanding-improvement-in-removing-the-delocalization-error-by-global-natural-orbital-functional-2212.01597</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/outstanding-improvement-in-removing-the-delocalization-error-by-global-natural-orbital-functional-2212.01597"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/outstanding-improvement-in-removing-the-delocalization-error-by-global-natural-orbital-functional-2212.01597"/></url>
<url><loc>https://scifaro.com/en/abs/electron-correlation-in-the-iron-ii-porphyrin-by-nof-approximations-2212.01640</loc><lastmod>2023-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-correlation-in-the-iron-ii-porphyrin-by-nof-approximations-2212.01640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-correlation-in-the-iron-ii-porphyrin-by-nof-approximations-2212.01640"/></url>
<url><loc>https://scifaro.com/en/abs/a-quantum-mechanical-investigation-of-o-3p-co-scattering-cross-sections-at-superthermal-collision-energies-2212.01799</loc><lastmod>2022-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quantum-mechanical-investigation-of-o-3p-co-scattering-cross-sections-at-superthermal-collision-energies-2212.01799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quantum-mechanical-investigation-of-o-3p-co-scattering-cross-sections-at-superthermal-collision-energies-2212.01799"/></url>
<url><loc>https://scifaro.com/en/abs/graph-based-quantum-response-theory-and-shadow-born-oppenheimer-molecular-dynamics-2212.01997</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graph-based-quantum-response-theory-and-shadow-born-oppenheimer-molecular-dynamics-2212.01997"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graph-based-quantum-response-theory-and-shadow-born-oppenheimer-molecular-dynamics-2212.01997"/></url>
<url><loc>https://scifaro.com/en/abs/delayed-burst-of-particles-from-ar-matrices-doped-with-ch4-and-radical-radical-interaction-2212.02152</loc><lastmod>2022-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/delayed-burst-of-particles-from-ar-matrices-doped-with-ch4-and-radical-radical-interaction-2212.02152"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/delayed-burst-of-particles-from-ar-matrices-doped-with-ch4-and-radical-radical-interaction-2212.02152"/></url>
<url><loc>https://scifaro.com/en/abs/qm-mm-modeling-of-vibrational-polariton-induced-energy-transfer-and-chemical-dynamics-2212.02322</loc><lastmod>2022-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qm-mm-modeling-of-vibrational-polariton-induced-energy-transfer-and-chemical-dynamics-2212.02322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qm-mm-modeling-of-vibrational-polariton-induced-energy-transfer-and-chemical-dynamics-2212.02322"/></url>
<url><loc>https://scifaro.com/en/abs/on-detailed-balance-in-nonadiabatic-dynamics-from-spin-spheres-to-equilibrium-ellipsoids-2212.02382</loc><lastmod>2023-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-detailed-balance-in-nonadiabatic-dynamics-from-spin-spheres-to-equilibrium-ellipsoids-2212.02382"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-detailed-balance-in-nonadiabatic-dynamics-from-spin-spheres-to-equilibrium-ellipsoids-2212.02382"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-nano-confinement-on-nmr-relaxation-of-heptane-in-kerogen-from-md-simulations-and-measurements-2212.02489</loc><lastmod>2022-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-nano-confinement-on-nmr-relaxation-of-heptane-in-kerogen-from-md-simulations-and-measurements-2212.02489"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-nano-confinement-on-nmr-relaxation-of-heptane-in-kerogen-from-md-simulations-and-measurements-2212.02489"/></url>
<url><loc>https://scifaro.com/en/abs/flux-dependence-of-helium-retention-in-clean-w-110-experimental-evidence-for-he-self-trapping-2212.02919</loc><lastmod>2022-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/flux-dependence-of-helium-retention-in-clean-w-110-experimental-evidence-for-he-self-trapping-2212.02919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/flux-dependence-of-helium-retention-in-clean-w-110-experimental-evidence-for-he-self-trapping-2212.02919"/></url>
<url><loc>https://scifaro.com/en/abs/routine-molecular-dynamics-simulations-including-nuclear-quantum-effects-from-force-fields-to-machine-learning-potentials-2212.03137</loc><lastmod>2025-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/routine-molecular-dynamics-simulations-including-nuclear-quantum-effects-from-force-fields-to-machine-learning-potentials-2212.03137"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/routine-molecular-dynamics-simulations-including-nuclear-quantum-effects-from-force-fields-to-machine-learning-potentials-2212.03137"/></url>
<url><loc>https://scifaro.com/en/abs/lightweight-and-effective-tensor-sensitivity-for-atomistic-neural-networks-2212.03195</loc><lastmod>2023-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lightweight-and-effective-tensor-sensitivity-for-atomistic-neural-networks-2212.03195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lightweight-and-effective-tensor-sensitivity-for-atomistic-neural-networks-2212.03195"/></url>
<url><loc>https://scifaro.com/en/abs/wrinkling-and-crumpling-in-twisted-few-and-multilayer-cvd-graphene-high-density-of-edge-modes-influencing-raman-spectra-2212.03594</loc><lastmod>2022-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wrinkling-and-crumpling-in-twisted-few-and-multilayer-cvd-graphene-high-density-of-edge-modes-influencing-raman-spectra-2212.03594"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wrinkling-and-crumpling-in-twisted-few-and-multilayer-cvd-graphene-high-density-of-edge-modes-influencing-raman-spectra-2212.03594"/></url>
<url><loc>https://scifaro.com/en/abs/swinging-between-shine-and-shadow-theoretical-advances-on-thermally-activated-vibropolaritonic-chemistry-a-perspective-2212.04017</loc><lastmod>2023-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/swinging-between-shine-and-shadow-theoretical-advances-on-thermally-activated-vibropolaritonic-chemistry-a-perspective-2212.04017"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/swinging-between-shine-and-shadow-theoretical-advances-on-thermally-activated-vibropolaritonic-chemistry-a-perspective-2212.04017"/></url>
<url><loc>https://scifaro.com/en/abs/water-dynamics-around-t0-vs-r4-of-hemoglobin-from-local-hydrophobicity-analysis-2212.04102</loc><lastmod>2022-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-dynamics-around-t0-vs-r4-of-hemoglobin-from-local-hydrophobicity-analysis-2212.04102"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-dynamics-around-t0-vs-r4-of-hemoglobin-from-local-hydrophobicity-analysis-2212.04102"/></url>
<url><loc>https://scifaro.com/en/abs/a-benchmark-study-of-core-excited-states-of-organic-molecules-computed-with-the-generalized-active-space-driven-similarity-renormalization-group-2212.04369</loc><lastmod>2023-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-benchmark-study-of-core-excited-states-of-organic-molecules-computed-with-the-generalized-active-space-driven-similarity-renormalization-group-2212.04369"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-benchmark-study-of-core-excited-states-of-organic-molecules-computed-with-the-generalized-active-space-driven-similarity-renormalization-group-2212.04369"/></url>
<url><loc>https://scifaro.com/en/abs/the-development-of-an-electrochemical-sensor-for-antibiotics-in-milk-based-on-machine-learning-algorithms-2212.04422</loc><lastmod>2022-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-development-of-an-electrochemical-sensor-for-antibiotics-in-milk-based-on-machine-learning-algorithms-2212.04422"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-development-of-an-electrochemical-sensor-for-antibiotics-in-milk-based-on-machine-learning-algorithms-2212.04422"/></url>
<url><loc>https://scifaro.com/en/abs/dissociative-excitation-of-nitromethane-induced-by-electron-impact-in-the-ultraviolet-visible-spectrum-2212.04449</loc><lastmod>2022-12-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-excitation-of-nitromethane-induced-by-electron-impact-in-the-ultraviolet-visible-spectrum-2212.04449"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-excitation-of-nitromethane-induced-by-electron-impact-in-the-ultraviolet-visible-spectrum-2212.04449"/></url>
<url><loc>https://scifaro.com/en/abs/gauche-a-library-for-gaussian-processes-in-chemistry-2212.04450</loc><lastmod>2023-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gauche-a-library-for-gaussian-processes-in-chemistry-2212.04450"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gauche-a-library-for-gaussian-processes-in-chemistry-2212.04450"/></url>
<url><loc>https://scifaro.com/en/abs/utilizing-machine-learning-to-greatly-expand-the-range-and-accuracy-of-bottom-up-coarse-grained-models-through-virtual-particles-2212.04530</loc><lastmod>2022-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/utilizing-machine-learning-to-greatly-expand-the-range-and-accuracy-of-bottom-up-coarse-grained-models-through-virtual-particles-2212.04530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/utilizing-machine-learning-to-greatly-expand-the-range-and-accuracy-of-bottom-up-coarse-grained-models-through-virtual-particles-2212.04530"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-spin-relaxation-in-cold-atom-molecule-collisions-2212.05363</loc><lastmod>2023-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-spin-relaxation-in-cold-atom-molecule-collisions-2212.05363"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-spin-relaxation-in-cold-atom-molecule-collisions-2212.05363"/></url>
<url><loc>https://scifaro.com/en/abs/schnetpack-2-0-a-neural-network-toolbox-for-atomistic-machine-learning-2212.05517</loc><lastmod>2023-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/schnetpack-2-0-a-neural-network-toolbox-for-atomistic-machine-learning-2212.05517"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/schnetpack-2-0-a-neural-network-toolbox-for-atomistic-machine-learning-2212.05517"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-nanoscopy-of-ion-emission-from-sub-wavelength-propanediol-droplets-2212.05587</loc><lastmod>2022-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-nanoscopy-of-ion-emission-from-sub-wavelength-propanediol-droplets-2212.05587"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-nanoscopy-of-ion-emission-from-sub-wavelength-propanediol-droplets-2212.05587"/></url>
<url><loc>https://scifaro.com/en/abs/extracting-the-sample-response-function-from-experimental-two-dimensional-terahertz-infrared-visible-spectra-2212.05593</loc><lastmod>2023-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extracting-the-sample-response-function-from-experimental-two-dimensional-terahertz-infrared-visible-spectra-2212.05593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extracting-the-sample-response-function-from-experimental-two-dimensional-terahertz-infrared-visible-spectra-2212.05593"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-of-the-spin-boson-model-the-effect-of-bath-initial-conditions-2212.05723</loc><lastmod>2023-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-of-the-spin-boson-model-the-effect-of-bath-initial-conditions-2212.05723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-of-the-spin-boson-model-the-effect-of-bath-initial-conditions-2212.05723"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transport-in-doped-conjugated-polymers-for-organic-thermoelectrics-2212.05795</loc><lastmod>2022-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transport-in-doped-conjugated-polymers-for-organic-thermoelectrics-2212.05795"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transport-in-doped-conjugated-polymers-for-organic-thermoelectrics-2212.05795"/></url>
<url><loc>https://scifaro.com/en/abs/testing-koopmans-spectral-functionals-on-the-analytically-solvable-hooke-s-atom-2212.05950</loc><lastmod>2023-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/testing-koopmans-spectral-functionals-on-the-analytically-solvable-hooke-s-atom-2212.05950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/testing-koopmans-spectral-functionals-on-the-analytically-solvable-hooke-s-atom-2212.05950"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-profiles-for-quantum-chemistry-computed-3-2-cycloaddition-reactions-2212.06014</loc><lastmod>2022-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-profiles-for-quantum-chemistry-computed-3-2-cycloaddition-reactions-2212.06014"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-profiles-for-quantum-chemistry-computed-3-2-cycloaddition-reactions-2212.06014"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-excited-states-in-time-dependent-density-functional-theory-using-localized-molecular-orbitals-2212.06189</loc><lastmod>2023-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-excited-states-in-time-dependent-density-functional-theory-using-localized-molecular-orbitals-2212.06189"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-excited-states-in-time-dependent-density-functional-theory-using-localized-molecular-orbitals-2212.06189"/></url>
<url><loc>https://scifaro.com/en/abs/the-density-and-pressure-of-helium-nano-bubbles-encapsulated-in-silicon-2212.06474</loc><lastmod>2023-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-density-and-pressure-of-helium-nano-bubbles-encapsulated-in-silicon-2212.06474"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-density-and-pressure-of-helium-nano-bubbles-encapsulated-in-silicon-2212.06474"/></url>
<url><loc>https://scifaro.com/en/abs/adsorption-at-nanoconfined-solid-water-interfaces-2212.06665</loc><lastmod>2022-12-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adsorption-at-nanoconfined-solid-water-interfaces-2212.06665"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adsorption-at-nanoconfined-solid-water-interfaces-2212.06665"/></url>
<url><loc>https://scifaro.com/en/abs/an-accurate-and-efficient-ehrenfest-dynamics-approach-for-calculating-linear-and-nonlinear-electronic-spectra-2212.06973</loc><lastmod>2022-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-accurate-and-efficient-ehrenfest-dynamics-approach-for-calculating-linear-and-nonlinear-electronic-spectra-2212.06973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-accurate-and-efficient-ehrenfest-dynamics-approach-for-calculating-linear-and-nonlinear-electronic-spectra-2212.06973"/></url>
<url><loc>https://scifaro.com/en/abs/a-derivation-of-the-conditions-under-which-bosonic-operators-exactly-capture-fermionic-structure-and-dynamics-2212.07003</loc><lastmod>2023-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-derivation-of-the-conditions-under-which-bosonic-operators-exactly-capture-fermionic-structure-and-dynamics-2212.07003"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-derivation-of-the-conditions-under-which-bosonic-operators-exactly-capture-fermionic-structure-and-dynamics-2212.07003"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-attosecond-laser-driven-electron-dynamics-in-the-hydrogen-molecule-with-different-real-time-time-dependent-configuration-interaction-approaches-2212.07301</loc><lastmod>2023-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-attosecond-laser-driven-electron-dynamics-in-the-hydrogen-molecule-with-different-real-time-time-dependent-configuration-interaction-approaches-2212.07301"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-attosecond-laser-driven-electron-dynamics-in-the-hydrogen-molecule-with-different-real-time-time-dependent-configuration-interaction-approaches-2212.07301"/></url>
<url><loc>https://scifaro.com/en/abs/optimized-quantum-drude-oscillators-for-atomic-and-molecular-response-properties-2212.07305</loc><lastmod>2022-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimized-quantum-drude-oscillators-for-atomic-and-molecular-response-properties-2212.07305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimized-quantum-drude-oscillators-for-atomic-and-molecular-response-properties-2212.07305"/></url>
<url><loc>https://scifaro.com/en/abs/activating-cavity-by-electrons-2212.07309</loc><lastmod>2022-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/activating-cavity-by-electrons-2212.07309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/activating-cavity-by-electrons-2212.07309"/></url>
<url><loc>https://scifaro.com/en/abs/a-statistical-perspective-on-microsolvation-2212.07544</loc><lastmod>2022-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-statistical-perspective-on-microsolvation-2212.07544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-statistical-perspective-on-microsolvation-2212.07544"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-guided-computational-screening-of-new-bio-orthogonal-click-reactions-2212.07621</loc><lastmod>2023-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-guided-computational-screening-of-new-bio-orthogonal-click-reactions-2212.07621"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-guided-computational-screening-of-new-bio-orthogonal-click-reactions-2212.07621"/></url>
<url><loc>https://scifaro.com/en/abs/tutorial-on-the-chemical-potential-of-ions-in-water-and-porous-materials-transport-isotherms-and-electrical-double-layer-theory-2212.07851</loc><lastmod>2025-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tutorial-on-the-chemical-potential-of-ions-in-water-and-porous-materials-transport-isotherms-and-electrical-double-layer-theory-2212.07851"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tutorial-on-the-chemical-potential-of-ions-in-water-and-porous-materials-transport-isotherms-and-electrical-double-layer-theory-2212.07851"/></url>
<url><loc>https://scifaro.com/en/abs/accelerated-coupled-cluster-calculations-with-procrustes-orbital-interpolation-2212.07928</loc><lastmod>2023-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerated-coupled-cluster-calculations-with-procrustes-orbital-interpolation-2212.07928"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerated-coupled-cluster-calculations-with-procrustes-orbital-interpolation-2212.07928"/></url>
<url><loc>https://scifaro.com/en/abs/scalable-bayesian-uncertainty-quantification-for-neural-network-potentials-promise-and-pitfalls-2212.07959</loc><lastmod>2023-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scalable-bayesian-uncertainty-quantification-for-neural-network-potentials-promise-and-pitfalls-2212.07959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scalable-bayesian-uncertainty-quantification-for-neural-network-potentials-promise-and-pitfalls-2212.07959"/></url>
<url><loc>https://scifaro.com/en/abs/embedding-vertex-corrections-in-gw-self-energy-theory-implementation-and-outlook-2212.08271</loc><lastmod>2023-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/embedding-vertex-corrections-in-gw-self-energy-theory-implementation-and-outlook-2212.08271"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/embedding-vertex-corrections-in-gw-self-energy-theory-implementation-and-outlook-2212.08271"/></url>
<url><loc>https://scifaro.com/en/abs/mechanism-of-delocalisation-enhanced-exciton-transport-in-disordered-organic-semiconductors-2212.08429</loc><lastmod>2023-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanism-of-delocalisation-enhanced-exciton-transport-in-disordered-organic-semiconductors-2212.08429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanism-of-delocalisation-enhanced-exciton-transport-in-disordered-organic-semiconductors-2212.08429"/></url>
<url><loc>https://scifaro.com/en/abs/topological-data-analysis-of-vortices-in-the-magnetically-induced-current-density-in-lih-molecule-2212.08690</loc><lastmod>2023-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topological-data-analysis-of-vortices-in-the-magnetically-induced-current-density-in-lih-molecule-2212.08690"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topological-data-analysis-of-vortices-in-the-magnetically-induced-current-density-in-lih-molecule-2212.08690"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-the-molecular-environment-in-quenching-the-irradiation-driven-fragmentation-of-fe-co-5-a-reactive-molecular-dynamics-study-2212.08722</loc><lastmod>2023-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-the-molecular-environment-in-quenching-the-irradiation-driven-fragmentation-of-fe-co-5-a-reactive-molecular-dynamics-study-2212.08722"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-the-molecular-environment-in-quenching-the-irradiation-driven-fragmentation-of-fe-co-5-a-reactive-molecular-dynamics-study-2212.08722"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-study-of-water-dissociation-on-a-charged-pd-111-surface-2212.08855</loc><lastmod>2023-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-study-of-water-dissociation-on-a-charged-pd-111-surface-2212.08855"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-study-of-water-dissociation-on-a-charged-pd-111-surface-2212.08855"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-and-modeling-polymers-the-challenge-of-multiple-scales-2212.08945</loc><lastmod>2022-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-and-modeling-polymers-the-challenge-of-multiple-scales-2212.08945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-and-modeling-polymers-the-challenge-of-multiple-scales-2212.08945"/></url>
<url><loc>https://scifaro.com/en/abs/exact-relationships-between-the-gw-approximation-and-equation-of-motion-coupled-cluster-theories-through-the-quasi-boson-formalism-2212.08982</loc><lastmod>2023-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-relationships-between-the-gw-approximation-and-equation-of-motion-coupled-cluster-theories-through-the-quasi-boson-formalism-2212.08982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-relationships-between-the-gw-approximation-and-equation-of-motion-coupled-cluster-theories-through-the-quasi-boson-formalism-2212.08982"/></url>
<url><loc>https://scifaro.com/en/abs/cold-collisions-of-rovibrationally-excited-d-2-molecules-2212.09204</loc><lastmod>2022-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-collisions-of-rovibrationally-excited-d-2-molecules-2212.09204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-collisions-of-rovibrationally-excited-d-2-molecules-2212.09204"/></url>
<url><loc>https://scifaro.com/en/abs/an-empirical-spectroscopic-model-for-eleven-electronic-states-of-vo-2212.09223</loc><lastmod>2023-01-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-empirical-spectroscopic-model-for-eleven-electronic-states-of-vo-2212.09223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-empirical-spectroscopic-model-for-eleven-electronic-states-of-vo-2212.09223"/></url>
<url><loc>https://scifaro.com/en/abs/frequency-and-field-dependent-response-of-confined-electrolytes-from-brownian-dynamics-simulations-2212.09481</loc><lastmod>2023-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frequency-and-field-dependent-response-of-confined-electrolytes-from-brownian-dynamics-simulations-2212.09481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frequency-and-field-dependent-response-of-confined-electrolytes-from-brownian-dynamics-simulations-2212.09481"/></url>
<url><loc>https://scifaro.com/en/abs/decomposing-chemical-space-applications-to-the-machine-learning-of-atomic-energies-2212.09489</loc><lastmod>2023-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decomposing-chemical-space-applications-to-the-machine-learning-of-atomic-energies-2212.09489"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decomposing-chemical-space-applications-to-the-machine-learning-of-atomic-energies-2212.09489"/></url>
<url><loc>https://scifaro.com/en/abs/universal-mechanism-for-quantitative-understanding-of-global-ozone-depletion-2212.09712</loc><lastmod>2024-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-mechanism-for-quantitative-understanding-of-global-ozone-depletion-2212.09712"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-mechanism-for-quantitative-understanding-of-global-ozone-depletion-2212.09712"/></url>
<url><loc>https://scifaro.com/en/abs/a-physically-consistent-chemical-dataset-for-the-simulation-of-n-2-ch-4-shocked-flows-up-to-t-100-000k-2212.09911</loc><lastmod>2022-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-physically-consistent-chemical-dataset-for-the-simulation-of-n-2-ch-4-shocked-flows-up-to-t-100-000k-2212.09911"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-physically-consistent-chemical-dataset-for-the-simulation-of-n-2-ch-4-shocked-flows-up-to-t-100-000k-2212.09911"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-vibrations-in-the-presence-of-velocity-dependent-forces-2212.10246</loc><lastmod>2023-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-vibrations-in-the-presence-of-velocity-dependent-forces-2212.10246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-vibrations-in-the-presence-of-velocity-dependent-forces-2212.10246"/></url>
<url><loc>https://scifaro.com/en/abs/binding-energies-for-successive-addition-reaction-of-oh-with-c60-a-laboratory-for-testing-frontier-molecular-orbital-theory-2212.10358</loc><lastmod>2022-12-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binding-energies-for-successive-addition-reaction-of-oh-with-c60-a-laboratory-for-testing-frontier-molecular-orbital-theory-2212.10358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binding-energies-for-successive-addition-reaction-of-oh-with-c60-a-laboratory-for-testing-frontier-molecular-orbital-theory-2212.10358"/></url>
<url><loc>https://scifaro.com/en/abs/the-potential-of-mxene-materials-as-a-component-in-the-catalyst-layer-for-the-oxygen-evolution-reaction-2212.10810</loc><lastmod>2022-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-potential-of-mxene-materials-as-a-component-in-the-catalyst-layer-for-the-oxygen-evolution-reaction-2212.10810"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-potential-of-mxene-materials-as-a-component-in-the-catalyst-layer-for-the-oxygen-evolution-reaction-2212.10810"/></url>
<url><loc>https://scifaro.com/en/abs/registry-dependent-potential-for-interfaces-of-water-with-graphene-2212.10834</loc><lastmod>2022-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/registry-dependent-potential-for-interfaces-of-water-with-graphene-2212.10834"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/registry-dependent-potential-for-interfaces-of-water-with-graphene-2212.10834"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-nuclear-electronic-orbital-hartree-fock-theory-in-a-strong-uniform-magnetic-field-2212.11040</loc><lastmod>2023-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-nuclear-electronic-orbital-hartree-fock-theory-in-a-strong-uniform-magnetic-field-2212.11040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-nuclear-electronic-orbital-hartree-fock-theory-in-a-strong-uniform-magnetic-field-2212.11040"/></url>
<url><loc>https://scifaro.com/en/abs/probing-exciton-dynamics-with-spectral-selectivity-through-the-use-of-quantum-entangled-photons-2212.11519</loc><lastmod>2023-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-exciton-dynamics-with-spectral-selectivity-through-the-use-of-quantum-entangled-photons-2212.11519"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-exciton-dynamics-with-spectral-selectivity-through-the-use-of-quantum-entangled-photons-2212.11519"/></url>
<url><loc>https://scifaro.com/en/abs/the-s-4-s-sih-2-1-a-1-reaction-toward-the-synthesis-of-interstellar-sis-2212.11754</loc><lastmod>2022-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-s-4-s-sih-2-1-a-1-reaction-toward-the-synthesis-of-interstellar-sis-2212.11754"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-s-4-s-sih-2-1-a-1-reaction-toward-the-synthesis-of-interstellar-sis-2212.11754"/></url>
<url><loc>https://scifaro.com/en/abs/a-mapping-approach-to-surface-hopping-2212.11773</loc><lastmod>2023-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mapping-approach-to-surface-hopping-2212.11773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mapping-approach-to-surface-hopping-2212.11773"/></url>
<url><loc>https://scifaro.com/en/abs/an-improved-parameterization-procedure-for-nddo-descendant-semiempirical-methods-2212.11786</loc><lastmod>2022-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-improved-parameterization-procedure-for-nddo-descendant-semiempirical-methods-2212.11786"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-improved-parameterization-procedure-for-nddo-descendant-semiempirical-methods-2212.11786"/></url>
<url><loc>https://scifaro.com/en/abs/mind-the-retrosynthesis-gap-bridging-the-divide-between-single-step-and-multi-step-retrosynthesis-prediction-2212.11809</loc><lastmod>2022-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mind-the-retrosynthesis-gap-bridging-the-divide-between-single-step-and-multi-step-retrosynthesis-prediction-2212.11809"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mind-the-retrosynthesis-gap-bridging-the-divide-between-single-step-and-multi-step-retrosynthesis-prediction-2212.11809"/></url>
<url><loc>https://scifaro.com/en/abs/reactive-vortexes-in-a-naturally-activated-process-non-diffusive-rotational-fluxes-at-transition-state-uncovered-by-persistent-homology-2212.11815</loc><lastmod>2022-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactive-vortexes-in-a-naturally-activated-process-non-diffusive-rotational-fluxes-at-transition-state-uncovered-by-persistent-homology-2212.11815"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactive-vortexes-in-a-naturally-activated-process-non-diffusive-rotational-fluxes-at-transition-state-uncovered-by-persistent-homology-2212.11815"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-approach-to-hopping-matrix-elements-between-nearby-molecules-2212.11831</loc><lastmod>2022-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-approach-to-hopping-matrix-elements-between-nearby-molecules-2212.11831"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-approach-to-hopping-matrix-elements-between-nearby-molecules-2212.11831"/></url>
<url><loc>https://scifaro.com/en/abs/coding-cross-sections-of-an-electron-charge-transfer-process-2212.11903</loc><lastmod>2022-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coding-cross-sections-of-an-electron-charge-transfer-process-2212.11903"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coding-cross-sections-of-an-electron-charge-transfer-process-2212.11903"/></url>
<url><loc>https://scifaro.com/en/abs/investigation-of-the-effects-of-biodiesel-produced-from-crambe-abyssinica-plant-on-combustion-engine-performance-and-exhaust-emissions-2212.12159</loc><lastmod>2022-12-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-the-effects-of-biodiesel-produced-from-crambe-abyssinica-plant-on-combustion-engine-performance-and-exhaust-emissions-2212.12159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-the-effects-of-biodiesel-produced-from-crambe-abyssinica-plant-on-combustion-engine-performance-and-exhaust-emissions-2212.12159"/></url>
<url><loc>https://scifaro.com/en/abs/contrast-inversion-in-neutral-atom-microscopy-using-atomic-cluster-beams-2212.12179</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/contrast-inversion-in-neutral-atom-microscopy-using-atomic-cluster-beams-2212.12179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/contrast-inversion-in-neutral-atom-microscopy-using-atomic-cluster-beams-2212.12179"/></url>
<url><loc>https://scifaro.com/en/abs/extension-of-the-trotterized-unitary-coupled-cluster-to-triple-excitations-2212.12462</loc><lastmod>2023-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extension-of-the-trotterized-unitary-coupled-cluster-to-triple-excitations-2212.12462"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extension-of-the-trotterized-unitary-coupled-cluster-to-triple-excitations-2212.12462"/></url>
<url><loc>https://scifaro.com/en/abs/using-thermal-interface-resistance-for-non-invasive-operando-mapping-of-buried-interfacial-lithium-morphology-in-solid-state-batteries-2212.12676</loc><lastmod>2023-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-thermal-interface-resistance-for-non-invasive-operando-mapping-of-buried-interfacial-lithium-morphology-in-solid-state-batteries-2212.12676"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-thermal-interface-resistance-for-non-invasive-operando-mapping-of-buried-interfacial-lithium-morphology-in-solid-state-batteries-2212.12676"/></url>
<url><loc>https://scifaro.com/en/abs/detecting-dynamic-domains-and-local-fluctuations-in-complex-molecular-systems-via-timelapse-neighbors-shuffling-2212.12694</loc><lastmod>2023-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detecting-dynamic-domains-and-local-fluctuations-in-complex-molecular-systems-via-timelapse-neighbors-shuffling-2212.12694"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detecting-dynamic-domains-and-local-fluctuations-in-complex-molecular-systems-via-timelapse-neighbors-shuffling-2212.12694"/></url>
<url><loc>https://scifaro.com/en/abs/density-potential-inversion-from-moreau-yosida-regularization-2212.12727</loc><lastmod>2023-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-potential-inversion-from-moreau-yosida-regularization-2212.12727"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-potential-inversion-from-moreau-yosida-regularization-2212.12727"/></url>
<url><loc>https://scifaro.com/en/abs/place-play-sers-sample-collection-and-preparation-free-surface-enhanced-raman-spectroscopy-2212.12730</loc><lastmod>2023-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/place-play-sers-sample-collection-and-preparation-free-surface-enhanced-raman-spectroscopy-2212.12730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/place-play-sers-sample-collection-and-preparation-free-surface-enhanced-raman-spectroscopy-2212.12730"/></url>
<url><loc>https://scifaro.com/en/abs/reconstructing-kernel-based-machine-learning-force-fields-with-super-linear-convergence-2212.12737</loc><lastmod>2023-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reconstructing-kernel-based-machine-learning-force-fields-with-super-linear-convergence-2212.12737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reconstructing-kernel-based-machine-learning-force-fields-with-super-linear-convergence-2212.12737"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-symmetry-breaking-and-coherent-relaxation-of-methane-cations-at-the-carbon-k-edge-2212.12875</loc><lastmod>2023-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-symmetry-breaking-and-coherent-relaxation-of-methane-cations-at-the-carbon-k-edge-2212.12875"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-symmetry-breaking-and-coherent-relaxation-of-methane-cations-at-the-carbon-k-edge-2212.12875"/></url>
<url><loc>https://scifaro.com/en/abs/corresponding-active-orbital-spaces-along-chemical-reaction-paths-2212.12883</loc><lastmod>2023-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/corresponding-active-orbital-spaces-along-chemical-reaction-paths-2212.12883"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/corresponding-active-orbital-spaces-along-chemical-reaction-paths-2212.12883"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-isotope-separation-using-graphene-based-membranes-in-liquid-water-2212.12994</loc><lastmod>2022-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-isotope-separation-using-graphene-based-membranes-in-liquid-water-2212.12994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-isotope-separation-using-graphene-based-membranes-in-liquid-water-2212.12994"/></url>
<url><loc>https://scifaro.com/en/abs/rapid-scan-white-light-pump-probe-spectroscopy-with-100-khz-shot-to-shot-detection-2212.13016</loc><lastmod>2022-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rapid-scan-white-light-pump-probe-spectroscopy-with-100-khz-shot-to-shot-detection-2212.13016"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rapid-scan-white-light-pump-probe-spectroscopy-with-100-khz-shot-to-shot-detection-2212.13016"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-perspectives-of-interfacial-properties-in-the-water-hydrogen-system-in-contact-with-silica-or-kerogen-2212.13374</loc><lastmod>2022-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-perspectives-of-interfacial-properties-in-the-water-hydrogen-system-in-contact-with-silica-or-kerogen-2212.13374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-perspectives-of-interfacial-properties-in-the-water-hydrogen-system-in-contact-with-silica-or-kerogen-2212.13374"/></url>
<url><loc>https://scifaro.com/en/abs/rovibrational-polaritons-in-gas-phase-methane-2212.13506</loc><lastmod>2023-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rovibrational-polaritons-in-gas-phase-methane-2212.13506"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rovibrational-polaritons-in-gas-phase-methane-2212.13506"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-scale-ion-separation-driven-by-surface-roughness-and-ion-size-asymmetry-new-analytical-solutions-for-differential-capacitance-of-edl-2212.13566</loc><lastmod>2023-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-scale-ion-separation-driven-by-surface-roughness-and-ion-size-asymmetry-new-analytical-solutions-for-differential-capacitance-of-edl-2212.13566"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-scale-ion-separation-driven-by-surface-roughness-and-ion-size-asymmetry-new-analytical-solutions-for-differential-capacitance-of-edl-2212.13566"/></url>
<url><loc>https://scifaro.com/en/abs/concentration-flux-steered-mechanism-exploration-with-an-organocatalysis-application-2212.14135</loc><lastmod>2023-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/concentration-flux-steered-mechanism-exploration-with-an-organocatalysis-application-2212.14135"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/concentration-flux-steered-mechanism-exploration-with-an-organocatalysis-application-2212.14135"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-examination-of-qed-hamiltonian-and-negative-energy-orbitals-in-relativistic-molecular-orbital-theory-2212.14178</loc><lastmod>2023-01-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-examination-of-qed-hamiltonian-and-negative-energy-orbitals-in-relativistic-molecular-orbital-theory-2212.14178"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-examination-of-qed-hamiltonian-and-negative-energy-orbitals-in-relativistic-molecular-orbital-theory-2212.14178"/></url>
<url><loc>https://scifaro.com/en/abs/polaritonic-huang-rhys-factor-basic-concepts-and-quantifying-light-matter-interaction-in-medium-2212.14196</loc><lastmod>2023-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polaritonic-huang-rhys-factor-basic-concepts-and-quantifying-light-matter-interaction-in-medium-2212.14196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polaritonic-huang-rhys-factor-basic-concepts-and-quantifying-light-matter-interaction-in-medium-2212.14196"/></url>
<url><loc>https://scifaro.com/en/abs/comparison-of-density-matrix-corrections-to-density-functional-theory-2212.14369</loc><lastmod>2023-01-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparison-of-density-matrix-corrections-to-density-functional-theory-2212.14369"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparison-of-density-matrix-corrections-to-density-functional-theory-2212.14369"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-reduced-models-for-the-ph-oscillations-in-the-urea-urease-reaction-confined-to-giant-lipid-vesicles-2212.14503</loc><lastmod>2023-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-reduced-models-for-the-ph-oscillations-in-the-urea-urease-reaction-confined-to-giant-lipid-vesicles-2212.14503"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-reduced-models-for-the-ph-oscillations-in-the-urea-urease-reaction-confined-to-giant-lipid-vesicles-2212.14503"/></url>
<url><loc>https://scifaro.com/en/abs/proper-orthogonal-descriptors-for-multi-element-chemical-systems-2212.14549</loc><lastmod>2024-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proper-orthogonal-descriptors-for-multi-element-chemical-systems-2212.14549"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proper-orthogonal-descriptors-for-multi-element-chemical-systems-2212.14549"/></url>
<url><loc>https://scifaro.com/en/abs/modified-noise-kernels-in-gaussian-process-modelling-of-energy-surfaces-2212.14699</loc><lastmod>2023-01-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modified-noise-kernels-in-gaussian-process-modelling-of-energy-surfaces-2212.14699"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modified-noise-kernels-in-gaussian-process-modelling-of-energy-surfaces-2212.14699"/></url>
<url><loc>https://scifaro.com/en/abs/describing-nmr-chemical-exchange-by-effective-phase-diffusion-approach-2301.00059</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/describing-nmr-chemical-exchange-by-effective-phase-diffusion-approach-2301.00059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/describing-nmr-chemical-exchange-by-effective-phase-diffusion-approach-2301.00059"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-switching-of-persistent-electron-and-hole-currents-in-ring-molecules-2301.00380</loc><lastmod>2024-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-switching-of-persistent-electron-and-hole-currents-in-ring-molecules-2301.00380"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-switching-of-persistent-electron-and-hole-currents-in-ring-molecules-2301.00380"/></url>
<url><loc>https://scifaro.com/en/abs/photodissociation-of-h-2-on-ag-and-au-nanoparticles-effect-of-size-and-plasmon-versus-inter-band-transitions-on-threshold-intensities-for-dissociation-2301.00469</loc><lastmod>2023-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photodissociation-of-h-2-on-ag-and-au-nanoparticles-effect-of-size-and-plasmon-versus-inter-band-transitions-on-threshold-intensities-for-dissociation-2301.00469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photodissociation-of-h-2-on-ag-and-au-nanoparticles-effect-of-size-and-plasmon-versus-inter-band-transitions-on-threshold-intensities-for-dissociation-2301.00469"/></url>
<url><loc>https://scifaro.com/en/abs/charging-dynamics-of-electric-double-layer-nanocapacitors-in-mean-field-2301.00610</loc><lastmod>2025-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charging-dynamics-of-electric-double-layer-nanocapacitors-in-mean-field-2301.00610"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charging-dynamics-of-electric-double-layer-nanocapacitors-in-mean-field-2301.00610"/></url>
<url><loc>https://scifaro.com/en/abs/elucidating-the-molecular-orbital-dependence-of-the-total-electronic-energy-in-multireference-problems-2301.00668</loc><lastmod>2023-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elucidating-the-molecular-orbital-dependence-of-the-total-electronic-energy-in-multireference-problems-2301.00668"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elucidating-the-molecular-orbital-dependence-of-the-total-electronic-energy-in-multireference-problems-2301.00668"/></url>
<url><loc>https://scifaro.com/en/abs/reducing-the-quantum-many-electron-problem-to-two-electrons-with-machine-learning-2301.00672</loc><lastmod>2023-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reducing-the-quantum-many-electron-problem-to-two-electrons-with-machine-learning-2301.00672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reducing-the-quantum-many-electron-problem-to-two-electrons-with-machine-learning-2301.00672"/></url>
<url><loc>https://scifaro.com/en/abs/a-double-hybrid-density-functional-based-on-good-local-physics-with-outstanding-performance-on-the-gmtkn55-database-2301.01187</loc><lastmod>2023-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-double-hybrid-density-functional-based-on-good-local-physics-with-outstanding-performance-on-the-gmtkn55-database-2301.01187"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-double-hybrid-density-functional-based-on-good-local-physics-with-outstanding-performance-on-the-gmtkn55-database-2301.01187"/></url>
<url><loc>https://scifaro.com/en/abs/design-of-dye-sensitized-tio-2-materials-for-photocatalytic-hydrogen-production-light-and-shadow-2301.01273</loc><lastmod>2023-01-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/design-of-dye-sensitized-tio-2-materials-for-photocatalytic-hydrogen-production-light-and-shadow-2301.01273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/design-of-dye-sensitized-tio-2-materials-for-photocatalytic-hydrogen-production-light-and-shadow-2301.01273"/></url>
<url><loc>https://scifaro.com/en/abs/capturing-electron-driven-chiral-dynamics-in-uv-excited-molecules-2301.02002</loc><lastmod>2024-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/capturing-electron-driven-chiral-dynamics-in-uv-excited-molecules-2301.02002"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/capturing-electron-driven-chiral-dynamics-in-uv-excited-molecules-2301.02002"/></url>
<url><loc>https://scifaro.com/en/abs/optimised-morse-transform-of-a-gaussian-process-feature-space-2301.02172</loc><lastmod>2023-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimised-morse-transform-of-a-gaussian-process-feature-space-2301.02172"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimised-morse-transform-of-a-gaussian-process-feature-space-2301.02172"/></url>
<url><loc>https://scifaro.com/en/abs/benchmarking-gaussian-basis-sets-in-quantum-chemical-calculations-of-photoabsorption-spectra-of-light-atomic-clusters-2301.02413</loc><lastmod>2023-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-gaussian-basis-sets-in-quantum-chemical-calculations-of-photoabsorption-spectra-of-light-atomic-clusters-2301.02413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-gaussian-basis-sets-in-quantum-chemical-calculations-of-photoabsorption-spectra-of-light-atomic-clusters-2301.02413"/></url>
<url><loc>https://scifaro.com/en/abs/studies-on-the-transcorrelated-method-2301.02590</loc><lastmod>2024-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/studies-on-the-transcorrelated-method-2301.02590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/studies-on-the-transcorrelated-method-2301.02590"/></url>
<url><loc>https://scifaro.com/en/abs/lower-bounds-on-par-with-upper-bounds-for-few-electron-atomic-energies-2301.02827</loc><lastmod>2023-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lower-bounds-on-par-with-upper-bounds-for-few-electron-atomic-energies-2301.02827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lower-bounds-on-par-with-upper-bounds-for-few-electron-atomic-energies-2301.02827"/></url>
<url><loc>https://scifaro.com/en/abs/unravelling-the-deterministic-effect-of-the-solid-state-diffusion-energy-barrier-for-charge-carrier-on-the-self-discharge-of-supercapacitors-2301.03234</loc><lastmod>2023-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unravelling-the-deterministic-effect-of-the-solid-state-diffusion-energy-barrier-for-charge-carrier-on-the-self-discharge-of-supercapacitors-2301.03234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unravelling-the-deterministic-effect-of-the-solid-state-diffusion-energy-barrier-for-charge-carrier-on-the-self-discharge-of-supercapacitors-2301.03234"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-and-solid-state-topological-polaritons-induced-by-population-imbalance-2301.03287</loc><lastmod>2023-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-and-solid-state-topological-polaritons-induced-by-population-imbalance-2301.03287"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-and-solid-state-topological-polaritons-induced-by-population-imbalance-2301.03287"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-charge-transfer-excitations-in-bacteriochlorophyll-dimers-from-first-principles-2301.03309</loc><lastmod>2023-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-charge-transfer-excitations-in-bacteriochlorophyll-dimers-from-first-principles-2301.03309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-charge-transfer-excitations-in-bacteriochlorophyll-dimers-from-first-principles-2301.03309"/></url>
<url><loc>https://scifaro.com/en/abs/evaporation-induced-self-assembling-of-few-layer-graphene-into-a-fractal-like-conductive-macro-network-with-a-reduction-of-percolation-threshold-2301.03397</loc><lastmod>2023-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaporation-induced-self-assembling-of-few-layer-graphene-into-a-fractal-like-conductive-macro-network-with-a-reduction-of-percolation-threshold-2301.03397"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaporation-induced-self-assembling-of-few-layer-graphene-into-a-fractal-like-conductive-macro-network-with-a-reduction-of-percolation-threshold-2301.03397"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-coordinates-for-conformational-transitions-using-linear-discriminant-analysis-on-positions-2301.03479</loc><lastmod>2023-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-coordinates-for-conformational-transitions-using-linear-discriminant-analysis-on-positions-2301.03479"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-coordinates-for-conformational-transitions-using-linear-discriminant-analysis-on-positions-2301.03479"/></url>
<url><loc>https://scifaro.com/en/abs/differentiable-simulations-for-enhanced-sampling-of-rare-events-2301.03480</loc><lastmod>2023-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/differentiable-simulations-for-enhanced-sampling-of-rare-events-2301.03480"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/differentiable-simulations-for-enhanced-sampling-of-rare-events-2301.03480"/></url>
<url><loc>https://scifaro.com/en/abs/global-descriptors-of-a-water-molecule-for-machine-learning-of-potential-energy-surfaces-2301.03853</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/global-descriptors-of-a-water-molecule-for-machine-learning-of-potential-energy-surfaces-2301.03853"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/global-descriptors-of-a-water-molecule-for-machine-learning-of-potential-energy-surfaces-2301.03853"/></url>
<url><loc>https://scifaro.com/en/abs/removal-of-industrial-dye-and-pharmaceutical-product-using-the-nano-and-micron-sized-ps-rough-particles-studded-with-pt-nanoparticles-2301.03891</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/removal-of-industrial-dye-and-pharmaceutical-product-using-the-nano-and-micron-sized-ps-rough-particles-studded-with-pt-nanoparticles-2301.03891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/removal-of-industrial-dye-and-pharmaceutical-product-using-the-nano-and-micron-sized-ps-rough-particles-studded-with-pt-nanoparticles-2301.03891"/></url>
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<url><loc>https://scifaro.com/en/abs/hydrogen-storage-in-li-functionalized-2-2-2-paracyclophane-at-cryogenic-to-room-temperatures-a-computational-quest-2301.03974</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-storage-in-li-functionalized-2-2-2-paracyclophane-at-cryogenic-to-room-temperatures-a-computational-quest-2301.03974"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-storage-in-li-functionalized-2-2-2-paracyclophane-at-cryogenic-to-room-temperatures-a-computational-quest-2301.03974"/></url>
<url><loc>https://scifaro.com/en/abs/transition-from-chemisorption-to-physisorption-of-h2-on-ti-functionalized-2-2-2-paracyclophane-a-computational-search-for-hydrogen-storage-2301.03990</loc><lastmod>2023-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-from-chemisorption-to-physisorption-of-h2-on-ti-functionalized-2-2-2-paracyclophane-a-computational-search-for-hydrogen-storage-2301.03990"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-from-chemisorption-to-physisorption-of-h2-on-ti-functionalized-2-2-2-paracyclophane-a-computational-search-for-hydrogen-storage-2301.03990"/></url>
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<url><loc>https://scifaro.com/en/abs/real-time-equation-of-motion-coupled-cluster-cumulant-green-s-function-method-heterogeneous-parallel-implementation-based-on-the-tensor-algebra-for-many-body-methods-infrastructure-2301.04249</loc><lastmod>2023-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-time-equation-of-motion-coupled-cluster-cumulant-green-s-function-method-heterogeneous-parallel-implementation-based-on-the-tensor-algebra-for-many-body-methods-infrastructure-2301.04249"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-time-equation-of-motion-coupled-cluster-cumulant-green-s-function-method-heterogeneous-parallel-implementation-based-on-the-tensor-algebra-for-many-body-methods-infrastructure-2301.04249"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-two-colour-x-ray-emission-spectroscopy-reveals-excited-state-landscape-in-a-base-metal-dyad-2301.04425</loc><lastmod>2023-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-two-colour-x-ray-emission-spectroscopy-reveals-excited-state-landscape-in-a-base-metal-dyad-2301.04425"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-two-colour-x-ray-emission-spectroscopy-reveals-excited-state-landscape-in-a-base-metal-dyad-2301.04425"/></url>
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<url><loc>https://scifaro.com/en/abs/entanglement-coupled-cluster-theory-exact-spin-adaptation-2301.12228</loc><lastmod>2023-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entanglement-coupled-cluster-theory-exact-spin-adaptation-2301.12228"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entanglement-coupled-cluster-theory-exact-spin-adaptation-2301.12228"/></url>
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<url><loc>https://scifaro.com/en/abs/first-principles-calculation-of-the-frequency-dependent-dipole-polarizability-of-argon-2301.12502</loc><lastmod>2023-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-calculation-of-the-frequency-dependent-dipole-polarizability-of-argon-2301.12502"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-calculation-of-the-frequency-dependent-dipole-polarizability-of-argon-2301.12502"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-solvent-on-state-to-state-population-transport-in-multistate-systems-using-coherences-2301.12712</loc><lastmod>2023-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-solvent-on-state-to-state-population-transport-in-multistate-systems-using-coherences-2301.12712"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-solvent-on-state-to-state-population-transport-in-multistate-systems-using-coherences-2301.12712"/></url>
<url><loc>https://scifaro.com/en/abs/measuring-electron-correlation-the-impact-of-symmetry-and-orbital-transformations-2301.12807</loc><lastmod>2023-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measuring-electron-correlation-the-impact-of-symmetry-and-orbital-transformations-2301.12807"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measuring-electron-correlation-the-impact-of-symmetry-and-orbital-transformations-2301.12807"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-derivative-coupling-elements-for-the-coupled-cluster-singles-and-doubles-model-2301.13264</loc><lastmod>2023-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-derivative-coupling-elements-for-the-coupled-cluster-singles-and-doubles-model-2301.13264"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-derivative-coupling-elements-for-the-coupled-cluster-singles-and-doubles-model-2301.13264"/></url>
<url><loc>https://scifaro.com/en/abs/a-compact-and-highly-collimated-atomic-molecular-beam-source-2301.13407</loc><lastmod>2023-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-compact-and-highly-collimated-atomic-molecular-beam-source-2301.13407"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-compact-and-highly-collimated-atomic-molecular-beam-source-2301.13407"/></url>
<url><loc>https://scifaro.com/en/abs/a-study-of-simulating-raman-spectra-for-alkanes-with-a-machine-learning-based-polarizability-model-2301.13490</loc><lastmod>2023-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-study-of-simulating-raman-spectra-for-alkanes-with-a-machine-learning-based-polarizability-model-2301.13490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-study-of-simulating-raman-spectra-for-alkanes-with-a-machine-learning-based-polarizability-model-2301.13490"/></url>
<url><loc>https://scifaro.com/en/abs/coherence-transfer-and-destructive-interference-in-two-dimensional-coherence-maps-2302.00276</loc><lastmod>2023-02-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherence-transfer-and-destructive-interference-in-two-dimensional-coherence-maps-2302.00276"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherence-transfer-and-destructive-interference-in-two-dimensional-coherence-maps-2302.00276"/></url>
<url><loc>https://scifaro.com/en/abs/hoax-a-hyperparameter-optimization-algorithm-explorer-for-neural-networks-2302.00374</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hoax-a-hyperparameter-optimization-algorithm-explorer-for-neural-networks-2302.00374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hoax-a-hyperparameter-optimization-algorithm-explorer-for-neural-networks-2302.00374"/></url>
<url><loc>https://scifaro.com/en/abs/facilitating-method-development-for-reverse-fill-flush-flow-modulation-by-using-a-tunable-auxiliary-pressure-source-instead-of-a-fixed-bleed-capillary-2302.00791</loc><lastmod>2023-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/facilitating-method-development-for-reverse-fill-flush-flow-modulation-by-using-a-tunable-auxiliary-pressure-source-instead-of-a-fixed-bleed-capillary-2302.00791"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/facilitating-method-development-for-reverse-fill-flush-flow-modulation-by-using-a-tunable-auxiliary-pressure-source-instead-of-a-fixed-bleed-capillary-2302.00791"/></url>
<url><loc>https://scifaro.com/en/abs/interparticle-correlations-and-chemical-bonding-from-physical-side-covalency-textit-versus-atomicity-and-ionicity-2302.01136</loc><lastmod>2023-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interparticle-correlations-and-chemical-bonding-from-physical-side-covalency-textit-versus-atomicity-and-ionicity-2302.01136"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interparticle-correlations-and-chemical-bonding-from-physical-side-covalency-textit-versus-atomicity-and-ionicity-2302.01136"/></url>
<url><loc>https://scifaro.com/en/abs/laser-induced-cavitation-for-controlling-crystallization-from-solution-2302.01218</loc><lastmod>2023-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/laser-induced-cavitation-for-controlling-crystallization-from-solution-2302.01218"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/laser-induced-cavitation-for-controlling-crystallization-from-solution-2302.01218"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-nuclear-dynamics-with-quantum-effects-2302.01408</loc><lastmod>2023-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-nuclear-dynamics-with-quantum-effects-2302.01408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-nuclear-dynamics-with-quantum-effects-2302.01408"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-infrared-and-raman-spectrum-of-hcooh-from-variational-computations-2302.01414</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-infrared-and-raman-spectrum-of-hcooh-from-variational-computations-2302.01414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-infrared-and-raman-spectrum-of-hcooh-from-variational-computations-2302.01414"/></url>
<url><loc>https://scifaro.com/en/abs/electrical-noise-in-electrolytes-a-theoretical-perspective-2302.01799</loc><lastmod>2023-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrical-noise-in-electrolytes-a-theoretical-perspective-2302.01799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrical-noise-in-electrolytes-a-theoretical-perspective-2302.01799"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-spatial-inhomogeneity-on-excitation-energy-transport-in-the-fenna-matthews-olson-complex-2302.01886</loc><lastmod>2024-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-spatial-inhomogeneity-on-excitation-energy-transport-in-the-fenna-matthews-olson-complex-2302.01886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-spatial-inhomogeneity-on-excitation-energy-transport-in-the-fenna-matthews-olson-complex-2302.01886"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-algebraic-approach-to-acid-base-equilibrium-2302.01926</loc><lastmod>2023-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-algebraic-approach-to-acid-base-equilibrium-2302.01926"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-algebraic-approach-to-acid-base-equilibrium-2302.01926"/></url>
<url><loc>https://scifaro.com/en/abs/a-hybrid-stochastic-configuration-interaction-coupled-cluster-approach-for-multireference-systems-2302.02159</loc><lastmod>2023-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-hybrid-stochastic-configuration-interaction-coupled-cluster-approach-for-multireference-systems-2302.02159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-hybrid-stochastic-configuration-interaction-coupled-cluster-approach-for-multireference-systems-2302.02159"/></url>
<url><loc>https://scifaro.com/en/abs/stabilising-effects-of-lumped-integration-schemes-for-the-simulation-of-metal-electrolyte-reactions-2302.02678</loc><lastmod>2023-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stabilising-effects-of-lumped-integration-schemes-for-the-simulation-of-metal-electrolyte-reactions-2302.02678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stabilising-effects-of-lumped-integration-schemes-for-the-simulation-of-metal-electrolyte-reactions-2302.02678"/></url>
<url><loc>https://scifaro.com/en/abs/bond-formation-insights-into-the-diels-alder-reaction-a-bond-perception-and-self-interaction-perspective-2302.02770</loc><lastmod>2023-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bond-formation-insights-into-the-diels-alder-reaction-a-bond-perception-and-self-interaction-perspective-2302.02770"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bond-formation-insights-into-the-diels-alder-reaction-a-bond-perception-and-self-interaction-perspective-2302.02770"/></url>
<url><loc>https://scifaro.com/en/abs/adiabatic-extraction-of-nonlinear-optical-properties-from-real-time-time-dependent-electronic-structure-theory-2302.02779</loc><lastmod>2024-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adiabatic-extraction-of-nonlinear-optical-properties-from-real-time-time-dependent-electronic-structure-theory-2302.02779"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adiabatic-extraction-of-nonlinear-optical-properties-from-real-time-time-dependent-electronic-structure-theory-2302.02779"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-embedding-method-for-the-simulation-of-strongly-correlated-systems-on-quantum-computers-2302.03052</loc><lastmod>2024-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-embedding-method-for-the-simulation-of-strongly-correlated-systems-on-quantum-computers-2302.03052"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-embedding-method-for-the-simulation-of-strongly-correlated-systems-on-quantum-computers-2302.03052"/></url>
<url><loc>https://scifaro.com/en/abs/improving-variational-monte-carlo-optimization-by-avoiding-statistically-difficult-parameters-2302.03078</loc><lastmod>2023-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-variational-monte-carlo-optimization-by-avoiding-statistically-difficult-parameters-2302.03078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-variational-monte-carlo-optimization-by-avoiding-statistically-difficult-parameters-2302.03078"/></url>
<url><loc>https://scifaro.com/en/abs/melting-domain-size-and-recrystallization-dynamics-of-ice-revealed-by-time-resolved-x-ray-scattering-2302.03368</loc><lastmod>2024-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/melting-domain-size-and-recrystallization-dynamics-of-ice-revealed-by-time-resolved-x-ray-scattering-2302.03368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/melting-domain-size-and-recrystallization-dynamics-of-ice-revealed-by-time-resolved-x-ray-scattering-2302.03368"/></url>
<url><loc>https://scifaro.com/en/abs/score-function-for-the-optimization-of-the-performance-of-forward-fill-flush-differential-flow-modulation-for-comprehensive-two-dimensional-gas-chromatography-2302.03388</loc><lastmod>2023-02-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/score-function-for-the-optimization-of-the-performance-of-forward-fill-flush-differential-flow-modulation-for-comprehensive-two-dimensional-gas-chromatography-2302.03388"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/score-function-for-the-optimization-of-the-performance-of-forward-fill-flush-differential-flow-modulation-for-comprehensive-two-dimensional-gas-chromatography-2302.03388"/></url>
<url><loc>https://scifaro.com/en/abs/polynomial-propagators-for-classical-molecular-dynamics-2302.03516</loc><lastmod>2024-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polynomial-propagators-for-classical-molecular-dynamics-2302.03516"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polynomial-propagators-for-classical-molecular-dynamics-2302.03516"/></url>
<url><loc>https://scifaro.com/en/abs/recent-advances-in-the-self-referencing-embedding-strings-selfies-library-2302.03620</loc><lastmod>2023-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recent-advances-in-the-self-referencing-embedding-strings-selfies-library-2302.03620"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recent-advances-in-the-self-referencing-embedding-strings-selfies-library-2302.03620"/></url>
<url><loc>https://scifaro.com/en/abs/vibfreq1295-a-new-database-for-vibrational-frequency-calculations-2302.03824</loc><lastmod>2023-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibfreq1295-a-new-database-for-vibrational-frequency-calculations-2302.03824"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibfreq1295-a-new-database-for-vibrational-frequency-calculations-2302.03824"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-coupling-of-reactions-via-few-molecule-vibrational-polaritons-2302.03880</loc><lastmod>2023-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-coupling-of-reactions-via-few-molecule-vibrational-polaritons-2302.03880"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-coupling-of-reactions-via-few-molecule-vibrational-polaritons-2302.03880"/></url>
<url><loc>https://scifaro.com/en/abs/interfacial-water-modulated-photoluminescence-of-single-layer-ws-2-on-mica-2302.03892</loc><lastmod>2023-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interfacial-water-modulated-photoluminescence-of-single-layer-ws-2-on-mica-2302.03892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interfacial-water-modulated-photoluminescence-of-single-layer-ws-2-on-mica-2302.03892"/></url>
<url><loc>https://scifaro.com/en/abs/coarse-grained-modeling-of-zeolitic-imidazolate-framework-8-using-martini-force-fields-2302.04263</loc><lastmod>2023-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coarse-grained-modeling-of-zeolitic-imidazolate-framework-8-using-martini-force-fields-2302.04263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coarse-grained-modeling-of-zeolitic-imidazolate-framework-8-using-martini-force-fields-2302.04263"/></url>
<url><loc>https://scifaro.com/en/abs/model-chemistry-recommendations-for-scaled-harmonic-frequency-calculations-a-benchmark-study-2302.04448</loc><lastmod>2023-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/model-chemistry-recommendations-for-scaled-harmonic-frequency-calculations-a-benchmark-study-2302.04448"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/model-chemistry-recommendations-for-scaled-harmonic-frequency-calculations-a-benchmark-study-2302.04448"/></url>
<url><loc>https://scifaro.com/en/abs/an-image-of-the-heteroatom-influence-in-acyclic-polyenes-2302.04819</loc><lastmod>2023-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-image-of-the-heteroatom-influence-in-acyclic-polyenes-2302.04819"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-image-of-the-heteroatom-influence-in-acyclic-polyenes-2302.04819"/></url>
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<url><loc>https://scifaro.com/en/abs/pyrolytic-elimination-of-ethylene-from-ethoxyquinolines-and-ethoxyisoquinolines-a-computational-study-2302.04849</loc><lastmod>2023-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pyrolytic-elimination-of-ethylene-from-ethoxyquinolines-and-ethoxyisoquinolines-a-computational-study-2302.04849"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pyrolytic-elimination-of-ethylene-from-ethoxyquinolines-and-ethoxyisoquinolines-a-computational-study-2302.04849"/></url>
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<url><loc>https://scifaro.com/en/abs/calculations-of-excited-electronic-states-by-converging-on-saddle-points-using-generalized-mode-following-2302.05912</loc><lastmod>2023-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculations-of-excited-electronic-states-by-converging-on-saddle-points-using-generalized-mode-following-2302.05912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculations-of-excited-electronic-states-by-converging-on-saddle-points-using-generalized-mode-following-2302.05912"/></url>
<url><loc>https://scifaro.com/en/abs/dyadic-green-function-approach-to-multichromophoric-forster-resonance-energy-transfer-under-electromagnetic-fluctuations-near-metallic-thin-films-2302.06219</loc><lastmod>2023-02-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dyadic-green-function-approach-to-multichromophoric-forster-resonance-energy-transfer-under-electromagnetic-fluctuations-near-metallic-thin-films-2302.06219"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dyadic-green-function-approach-to-multichromophoric-forster-resonance-energy-transfer-under-electromagnetic-fluctuations-near-metallic-thin-films-2302.06219"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogels-enable-negative-pressure-in-water-for-efficient-heat-utilization-and-transfer-2302.06371</loc><lastmod>2023-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogels-enable-negative-pressure-in-water-for-efficient-heat-utilization-and-transfer-2302.06371"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogels-enable-negative-pressure-in-water-for-efficient-heat-utilization-and-transfer-2302.06371"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-new-exchange-correlation-kernels-in-the-bethe-salpeter-equation-a-study-of-the-asymmetric-hubbard-dimer-2302.06679</loc><lastmod>2023-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-new-exchange-correlation-kernels-in-the-bethe-salpeter-equation-a-study-of-the-asymmetric-hubbard-dimer-2302.06679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-new-exchange-correlation-kernels-in-the-bethe-salpeter-equation-a-study-of-the-asymmetric-hubbard-dimer-2302.06679"/></url>
<url><loc>https://scifaro.com/en/abs/shadow-energy-functionals-and-potentials-in-born-oppenheimer-molecular-dynamics-2302.06703</loc><lastmod>2023-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/shadow-energy-functionals-and-potentials-in-born-oppenheimer-molecular-dynamics-2302.06703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/shadow-energy-functionals-and-potentials-in-born-oppenheimer-molecular-dynamics-2302.06703"/></url>
<url><loc>https://scifaro.com/en/abs/an-excited-state-specific-pseudoprojected-coupled-cluster-theory-2302.06731</loc><lastmod>2023-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-excited-state-specific-pseudoprojected-coupled-cluster-theory-2302.06731"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-excited-state-specific-pseudoprojected-coupled-cluster-theory-2302.06731"/></url>
<url><loc>https://scifaro.com/en/abs/bruce-vincent-transference-numbers-from-molecular-dynamics-simulations-2302.07017</loc><lastmod>2023-04-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bruce-vincent-transference-numbers-from-molecular-dynamics-simulations-2302.07017"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bruce-vincent-transference-numbers-from-molecular-dynamics-simulations-2302.07017"/></url>
<url><loc>https://scifaro.com/en/abs/statistically-optimal-force-aggregation-for-coarse-graining-molecular-dynamics-2302.07071</loc><lastmod>2023-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistically-optimal-force-aggregation-for-coarse-graining-molecular-dynamics-2302.07071"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistically-optimal-force-aggregation-for-coarse-graining-molecular-dynamics-2302.07071"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-level-understanding-of-the-ro-vibrational-spectra-of-n-2-o-in-gaseous-supercritical-and-liquid-sf-6-and-xe-2302.07179</loc><lastmod>2023-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-level-understanding-of-the-ro-vibrational-spectra-of-n-2-o-in-gaseous-supercritical-and-liquid-sf-6-and-xe-2302.07179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-level-understanding-of-the-ro-vibrational-spectra-of-n-2-o-in-gaseous-supercritical-and-liquid-sf-6-and-xe-2302.07179"/></url>
<url><loc>https://scifaro.com/en/abs/core-excitations-of-uranyl-in-cs-2-uo-2-cl-4-from-relativistic-embedded-damped-response-time-dependent-density-functional-theory-calculations-2302.07223</loc><lastmod>2024-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/core-excitations-of-uranyl-in-cs-2-uo-2-cl-4-from-relativistic-embedded-damped-response-time-dependent-density-functional-theory-calculations-2302.07223"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/core-excitations-of-uranyl-in-cs-2-uo-2-cl-4-from-relativistic-embedded-damped-response-time-dependent-density-functional-theory-calculations-2302.07223"/></url>
<url><loc>https://scifaro.com/en/abs/studying-excited-state-specific-perturbation-theory-on-the-thiel-set-2302.07240</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/studying-excited-state-specific-perturbation-theory-on-the-thiel-set-2302.07240"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/studying-excited-state-specific-perturbation-theory-on-the-thiel-set-2302.07240"/></url>
<url><loc>https://scifaro.com/en/abs/optimized-attenuated-interaction-enabling-stochastic-bethe-salpeter-spectra-for-large-systems-2302.07381</loc><lastmod>2023-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimized-attenuated-interaction-enabling-stochastic-bethe-salpeter-spectra-for-large-systems-2302.07381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimized-attenuated-interaction-enabling-stochastic-bethe-salpeter-spectra-for-large-systems-2302.07381"/></url>
<url><loc>https://scifaro.com/en/abs/approximating-first-hitting-point-distribution-in-milestoning-for-rare-event-kinetics-2302.08098</loc><lastmod>2024-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximating-first-hitting-point-distribution-in-milestoning-for-rare-event-kinetics-2302.08098"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximating-first-hitting-point-distribution-in-milestoning-for-rare-event-kinetics-2302.08098"/></url>
<url><loc>https://scifaro.com/en/abs/fast-evaluation-of-spherical-harmonics-with-sphericart-2302.08381</loc><lastmod>2023-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-evaluation-of-spherical-harmonics-with-sphericart-2302.08381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-evaluation-of-spherical-harmonics-with-sphericart-2302.08381"/></url>
<url><loc>https://scifaro.com/en/abs/how-to-find-molecules-with-long-lasting-charge-migration-2302.08435</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-to-find-molecules-with-long-lasting-charge-migration-2302.08435"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-to-find-molecules-with-long-lasting-charge-migration-2302.08435"/></url>
<url><loc>https://scifaro.com/en/abs/do-we-need-delocalised-wavefunctions-for-the-excited-state-dynamics-of-1-1-difluoroethylene-2302.08445</loc><lastmod>2023-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/do-we-need-delocalised-wavefunctions-for-the-excited-state-dynamics-of-1-1-difluoroethylene-2302.08445"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/do-we-need-delocalised-wavefunctions-for-the-excited-state-dynamics-of-1-1-difluoroethylene-2302.08445"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-removal-of-nanoplastics-from-synthetic-wastewater-using-electrocoagulation-2302.08451</loc><lastmod>2023-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-removal-of-nanoplastics-from-synthetic-wastewater-using-electrocoagulation-2302.08451"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-removal-of-nanoplastics-from-synthetic-wastewater-using-electrocoagulation-2302.08451"/></url>
<url><loc>https://scifaro.com/en/abs/taming-multiple-binding-poses-in-alchemical-binding-free-energy-prediction-the-beta-cyclodextrin-host-guest-sampl9-blinded-challenge-2302.08620</loc><lastmod>2023-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/taming-multiple-binding-poses-in-alchemical-binding-free-energy-prediction-the-beta-cyclodextrin-host-guest-sampl9-blinded-challenge-2302.08620"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/taming-multiple-binding-poses-in-alchemical-binding-free-energy-prediction-the-beta-cyclodextrin-host-guest-sampl9-blinded-challenge-2302.08620"/></url>
<url><loc>https://scifaro.com/en/abs/light-sabre-hyperpolarizes-1-13-c-pyruvate-continuously-without-magnetic-field-cycling-2302.09299</loc><lastmod>2024-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/light-sabre-hyperpolarizes-1-13-c-pyruvate-continuously-without-magnetic-field-cycling-2302.09299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/light-sabre-hyperpolarizes-1-13-c-pyruvate-continuously-without-magnetic-field-cycling-2302.09299"/></url>
<url><loc>https://scifaro.com/en/abs/implicit-solvent-approach-based-on-generalised-born-and-transferable-graph-neural-networks-for-molecular-dynamics-simulations-2302.09321</loc><lastmod>2023-05-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/implicit-solvent-approach-based-on-generalised-born-and-transferable-graph-neural-networks-for-molecular-dynamics-simulations-2302.09321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/implicit-solvent-approach-based-on-generalised-born-and-transferable-graph-neural-networks-for-molecular-dynamics-simulations-2302.09321"/></url>
<url><loc>https://scifaro.com/en/abs/thermo-osmosis-in-charged-nanochannels-effects-of-surface-charge-and-ionic-strength-2302.09430</loc><lastmod>2023-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermo-osmosis-in-charged-nanochannels-effects-of-surface-charge-and-ionic-strength-2302.09430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermo-osmosis-in-charged-nanochannels-effects-of-surface-charge-and-ionic-strength-2302.09430"/></url>
<url><loc>https://scifaro.com/en/abs/microscopic-energy-storage-mechanism-of-dielectric-polymer-coated-supercapacitors-2302.09499</loc><lastmod>2023-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microscopic-energy-storage-mechanism-of-dielectric-polymer-coated-supercapacitors-2302.09499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microscopic-energy-storage-mechanism-of-dielectric-polymer-coated-supercapacitors-2302.09499"/></url>
<url><loc>https://scifaro.com/en/abs/transient-photocurrent-and-optical-absorption-of-disordered-thin-film-semiconductors-in-depth-injection-and-nonlinear-response-2302.09517</loc><lastmod>2023-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transient-photocurrent-and-optical-absorption-of-disordered-thin-film-semiconductors-in-depth-injection-and-nonlinear-response-2302.09517"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transient-photocurrent-and-optical-absorption-of-disordered-thin-film-semiconductors-in-depth-injection-and-nonlinear-response-2302.09517"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-environment-adaptive-learning-for-optical-band-gap-prediction-of-doped-graphitic-carbon-nitride-nanosheets-2302.09539</loc><lastmod>2023-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-environment-adaptive-learning-for-optical-band-gap-prediction-of-doped-graphitic-carbon-nitride-nanosheets-2302.09539"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-environment-adaptive-learning-for-optical-band-gap-prediction-of-doped-graphitic-carbon-nitride-nanosheets-2302.09539"/></url>
<url><loc>https://scifaro.com/en/abs/timesoap-tracking-high-dimensional-fluctuations-in-complex-molecular-systems-via-time-variations-of-soap-spectra-2302.09673</loc><lastmod>2023-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/timesoap-tracking-high-dimensional-fluctuations-in-complex-molecular-systems-via-time-variations-of-soap-spectra-2302.09673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/timesoap-tracking-high-dimensional-fluctuations-in-complex-molecular-systems-via-time-variations-of-soap-spectra-2302.09673"/></url>
<url><loc>https://scifaro.com/en/abs/doped-rare-gas-clusters-up-to-completion-of-first-solvation-shell-co2-rg-n-n-3-17-rg-ar-kr-xe-2302.10355</loc><lastmod>2023-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/doped-rare-gas-clusters-up-to-completion-of-first-solvation-shell-co2-rg-n-n-3-17-rg-ar-kr-xe-2302.10355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/doped-rare-gas-clusters-up-to-completion-of-first-solvation-shell-co2-rg-n-n-3-17-rg-ar-kr-xe-2302.10355"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-electronic-structure-methods-based-on-the-one-electron-reduced-density-matrix-2302.10741</loc><lastmod>2023-02-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-electronic-structure-methods-based-on-the-one-electron-reduced-density-matrix-2302.10741"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-electronic-structure-methods-based-on-the-one-electron-reduced-density-matrix-2302.10741"/></url>
<url><loc>https://scifaro.com/en/abs/water-dynamics-in-highly-concentrated-protein-systems-insight-from-nuclear-magnetic-resonance-relaxometry-2302.11015</loc><lastmod>2023-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-dynamics-in-highly-concentrated-protein-systems-insight-from-nuclear-magnetic-resonance-relaxometry-2302.11015"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-dynamics-in-highly-concentrated-protein-systems-insight-from-nuclear-magnetic-resonance-relaxometry-2302.11015"/></url>
<url><loc>https://scifaro.com/en/abs/various-integral-estimations-and-screening-schemes-for-extended-systems-in-pyscf-2302.11307</loc><lastmod>2023-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/various-integral-estimations-and-screening-schemes-for-extended-systems-in-pyscf-2302.11307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/various-integral-estimations-and-screening-schemes-for-extended-systems-in-pyscf-2302.11307"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-approximations-in-time-dependent-density-functional-theory-progress-and-prospects-2302.11366</loc><lastmod>2023-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-approximations-in-time-dependent-density-functional-theory-progress-and-prospects-2302.11366"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-approximations-in-time-dependent-density-functional-theory-progress-and-prospects-2302.11366"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-the-space-of-photoswitchable-ligands-and-photodruggable-proteins-with-computational-modeling-2302.11490</loc><lastmod>2023-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-the-space-of-photoswitchable-ligands-and-photodruggable-proteins-with-computational-modeling-2302.11490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-the-space-of-photoswitchable-ligands-and-photodruggable-proteins-with-computational-modeling-2302.11490"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-free-energy-estimations-of-molecular-systems-via-flow-based-targeted-free-energy-perturbation-2302.11855</loc><lastmod>2023-02-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-free-energy-estimations-of-molecular-systems-via-flow-based-targeted-free-energy-perturbation-2302.11855"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-free-energy-estimations-of-molecular-systems-via-flow-based-targeted-free-energy-perturbation-2302.11855"/></url>
<url><loc>https://scifaro.com/en/abs/exchange-correlation-potentials-from-full-configuration-interaction-in-a-slater-orbital-basis-2302.11999</loc><lastmod>2023-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-correlation-potentials-from-full-configuration-interaction-in-a-slater-orbital-basis-2302.11999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-correlation-potentials-from-full-configuration-interaction-in-a-slater-orbital-basis-2302.11999"/></url>
<url><loc>https://scifaro.com/en/abs/learning-stiff-chemical-kinetics-using-extended-deep-neural-operators-2302.12645</loc><lastmod>2023-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-stiff-chemical-kinetics-using-extended-deep-neural-operators-2302.12645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-stiff-chemical-kinetics-using-extended-deep-neural-operators-2302.12645"/></url>
<url><loc>https://scifaro.com/en/abs/the-virial-theorem-with-periodic-boundary-conditions-2302.12807</loc><lastmod>2023-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-virial-theorem-with-periodic-boundary-conditions-2302.12807"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-virial-theorem-with-periodic-boundary-conditions-2302.12807"/></url>
<url><loc>https://scifaro.com/en/abs/a-regularized-second-order-correlation-method-from-green-s-function-theory-2302.13296</loc><lastmod>2023-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-regularized-second-order-correlation-method-from-green-s-function-theory-2302.13296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-regularized-second-order-correlation-method-from-green-s-function-theory-2302.13296"/></url>
<url><loc>https://scifaro.com/en/abs/symmetrization-of-localized-molecular-orbitals-2302.13654</loc><lastmod>2023-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetrization-of-localized-molecular-orbitals-2302.13654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetrization-of-localized-molecular-orbitals-2302.13654"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-jastrow-factors-for-the-transcorrelated-method-2302.13683</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-jastrow-factors-for-the-transcorrelated-method-2302.13683"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-jastrow-factors-for-the-transcorrelated-method-2302.13683"/></url>
<url><loc>https://scifaro.com/en/abs/multi-configurational-nature-of-electron-correlation-within-nitrogen-vacancy-centers-in-diamond-2302.13730</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-configurational-nature-of-electron-correlation-within-nitrogen-vacancy-centers-in-diamond-2302.13730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-configurational-nature-of-electron-correlation-within-nitrogen-vacancy-centers-in-diamond-2302.13730"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-electronic-stopping-of-negatively-charged-particles-in-liquid-water-2302.14384</loc><lastmod>2023-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-electronic-stopping-of-negatively-charged-particles-in-liquid-water-2302.14384"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-electronic-stopping-of-negatively-charged-particles-in-liquid-water-2302.14384"/></url>
<url><loc>https://scifaro.com/en/abs/md-bench-engineering-the-in-core-performance-of-short-range-molecular-dynamics-kernels-from-state-of-the-art-simulation-packages-2302.14660</loc><lastmod>2023-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/md-bench-engineering-the-in-core-performance-of-short-range-molecular-dynamics-kernels-from-state-of-the-art-simulation-packages-2302.14660"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/md-bench-engineering-the-in-core-performance-of-short-range-molecular-dynamics-kernels-from-state-of-the-art-simulation-packages-2302.14660"/></url>
<url><loc>https://scifaro.com/en/abs/completeness-of-atomic-structure-representations-2302.14770</loc><lastmod>2024-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/completeness-of-atomic-structure-representations-2302.14770"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/completeness-of-atomic-structure-representations-2302.14770"/></url>
<url><loc>https://scifaro.com/en/abs/trexio-a-file-format-and-library-for-quantum-chemistry-2302.14793</loc><lastmod>2023-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/trexio-a-file-format-and-library-for-quantum-chemistry-2302.14793"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/trexio-a-file-format-and-library-for-quantum-chemistry-2302.14793"/></url>
<url><loc>https://scifaro.com/en/abs/variational-deep-learning-of-equilibrium-transition-path-ensembles-2302.14857</loc><lastmod>2023-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-deep-learning-of-equilibrium-transition-path-ensembles-2302.14857"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-deep-learning-of-equilibrium-transition-path-ensembles-2302.14857"/></url>
<url><loc>https://scifaro.com/en/abs/key-parameters-in-determining-the-reactivity-of-lithium-metal-battery-2303.00061</loc><lastmod>2023-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/key-parameters-in-determining-the-reactivity-of-lithium-metal-battery-2303.00061"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/key-parameters-in-determining-the-reactivity-of-lithium-metal-battery-2303.00061"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-investigation-of-intramolecular-charge-transfer-states-in-dmabn-by-calculation-of-excited-state-x-ray-absorption-spectra-2303.00127</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-investigation-of-intramolecular-charge-transfer-states-in-dmabn-by-calculation-of-excited-state-x-ray-absorption-spectra-2303.00127"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-investigation-of-intramolecular-charge-transfer-states-in-dmabn-by-calculation-of-excited-state-x-ray-absorption-spectra-2303.00127"/></url>
<url><loc>https://scifaro.com/en/abs/mass-selected-ion-molecule-cluster-beam-apparatus-for-ultrafast-photofragmentation-studies-2303.00225</loc><lastmod>2023-03-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mass-selected-ion-molecule-cluster-beam-apparatus-for-ultrafast-photofragmentation-studies-2303.00225"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mass-selected-ion-molecule-cluster-beam-apparatus-for-ultrafast-photofragmentation-studies-2303.00225"/></url>
<url><loc>https://scifaro.com/en/abs/nonlocal-machine-learned-exchange-functional-for-molecules-and-solids-2303.00682</loc><lastmod>2024-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlocal-machine-learned-exchange-functional-for-molecules-and-solids-2303.00682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlocal-machine-learned-exchange-functional-for-molecules-and-solids-2303.00682"/></url>
<url><loc>https://scifaro.com/en/abs/size-dependent-lattice-symmetry-breaking-determines-the-exciton-fine-structure-of-perovskite-nanocrystals-2303.00707</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-dependent-lattice-symmetry-breaking-determines-the-exciton-fine-structure-of-perovskite-nanocrystals-2303.00707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-dependent-lattice-symmetry-breaking-determines-the-exciton-fine-structure-of-perovskite-nanocrystals-2303.00707"/></url>
<url><loc>https://scifaro.com/en/abs/energy-based-clustering-fast-and-robust-clustering-of-data-with-known-likelihood-functions-2303.01104</loc><lastmod>2023-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-based-clustering-fast-and-robust-clustering-of-data-with-known-likelihood-functions-2303.01104"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-based-clustering-fast-and-robust-clustering-of-data-with-known-likelihood-functions-2303.01104"/></url>
<url><loc>https://scifaro.com/en/abs/mlqd-a-package-for-machine-learning-based-quantum-dissipative-dynamics-2303.01264</loc><lastmod>2024-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mlqd-a-package-for-machine-learning-based-quantum-dissipative-dynamics-2303.01264"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mlqd-a-package-for-machine-learning-based-quantum-dissipative-dynamics-2303.01264"/></url>
<url><loc>https://scifaro.com/en/abs/the-structure-of-the-density-potential-mapping-part-ii-including-magnetic-fields-2303.01357</loc><lastmod>2024-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-structure-of-the-density-potential-mapping-part-ii-including-magnetic-fields-2303.01357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-structure-of-the-density-potential-mapping-part-ii-including-magnetic-fields-2303.01357"/></url>
<url><loc>https://scifaro.com/en/abs/energy-conserving-coupled-trajectory-mixed-quantum-classical-dynamics-2303.01376</loc><lastmod>2023-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-conserving-coupled-trajectory-mixed-quantum-classical-dynamics-2303.01376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-conserving-coupled-trajectory-mixed-quantum-classical-dynamics-2303.01376"/></url>
<url><loc>https://scifaro.com/en/abs/deep-learning-collective-variables-from-transition-path-ensemble-2303.01629</loc><lastmod>2023-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deep-learning-collective-variables-from-transition-path-ensemble-2303.01629"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deep-learning-collective-variables-from-transition-path-ensemble-2303.01629"/></url>
<url><loc>https://scifaro.com/en/abs/the-difference-between-molecules-and-materials-reassessing-the-role-of-exact-conditions-in-density-functional-theory-2303.01766</loc><lastmod>2023-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-difference-between-molecules-and-materials-reassessing-the-role-of-exact-conditions-in-density-functional-theory-2303.01766"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-difference-between-molecules-and-materials-reassessing-the-role-of-exact-conditions-in-density-functional-theory-2303.01766"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-non-adiabatic-and-isotopic-effects-in-the-dynamics-of-the-h-2-h-2-rightarrow-h-3-h-reaction-application-to-plasma-modeling-2303.01828</loc><lastmod>2023-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-non-adiabatic-and-isotopic-effects-in-the-dynamics-of-the-h-2-h-2-rightarrow-h-3-h-reaction-application-to-plasma-modeling-2303.01828"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-non-adiabatic-and-isotopic-effects-in-the-dynamics-of-the-h-2-h-2-rightarrow-h-3-h-reaction-application-to-plasma-modeling-2303.01828"/></url>
<url><loc>https://scifaro.com/en/abs/short-time-particle-motion-in-one-and-two-dimensional-lattices-with-site-disorder-2303.02026</loc><lastmod>2023-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/short-time-particle-motion-in-one-and-two-dimensional-lattices-with-site-disorder-2303.02026"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/short-time-particle-motion-in-one-and-two-dimensional-lattices-with-site-disorder-2303.02026"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-challenge-of-obtaining-an-accurate-solvation-energy-estimate-in-simulations-of-electrocatalysis-2303.02092</loc><lastmod>2023-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-challenge-of-obtaining-an-accurate-solvation-energy-estimate-in-simulations-of-electrocatalysis-2303.02092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-challenge-of-obtaining-an-accurate-solvation-energy-estimate-in-simulations-of-electrocatalysis-2303.02092"/></url>
<url><loc>https://scifaro.com/en/abs/universal-behavior-in-complex-mediated-reactions-dynamics-of-s-1d-o-d2-d-sd-at-low-collision-energies-2303.02097</loc><lastmod>2023-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-behavior-in-complex-mediated-reactions-dynamics-of-s-1d-o-d2-d-sd-at-low-collision-energies-2303.02097"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-behavior-in-complex-mediated-reactions-dynamics-of-s-1d-o-d2-d-sd-at-low-collision-energies-2303.02097"/></url>
<url><loc>https://scifaro.com/en/abs/generalization-of-the-tensor-product-selected-ci-method-for-molecular-excited-states-2303.02232</loc><lastmod>2023-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalization-of-the-tensor-product-selected-ci-method-for-molecular-excited-states-2303.02232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalization-of-the-tensor-product-selected-ci-method-for-molecular-excited-states-2303.02232"/></url>
<url><loc>https://scifaro.com/en/abs/bi-orthonormal-orbital-optimization-with-a-cheap-core-electron-free-three-body-correlation-factor-for-quantum-monte-carlo-and-transcorrelation-2303.02436</loc><lastmod>2023-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bi-orthonormal-orbital-optimization-with-a-cheap-core-electron-free-three-body-correlation-factor-for-quantum-monte-carlo-and-transcorrelation-2303.02436"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bi-orthonormal-orbital-optimization-with-a-cheap-core-electron-free-three-body-correlation-factor-for-quantum-monte-carlo-and-transcorrelation-2303.02436"/></url>
<url><loc>https://scifaro.com/en/abs/algebraic-diagrammatic-construction-theory-for-simulating-charged-excited-states-and-photoelectron-spectra-2303.02856</loc><lastmod>2023-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/algebraic-diagrammatic-construction-theory-for-simulating-charged-excited-states-and-photoelectron-spectra-2303.02856"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/algebraic-diagrammatic-construction-theory-for-simulating-charged-excited-states-and-photoelectron-spectra-2303.02856"/></url>
<url><loc>https://scifaro.com/en/abs/computational-study-of-optical-absorption-spectra-of-helicenes-as-applied-to-strain-sensing-2303.03490</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-study-of-optical-absorption-spectra-of-helicenes-as-applied-to-strain-sensing-2303.03490"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-study-of-optical-absorption-spectra-of-helicenes-as-applied-to-strain-sensing-2303.03490"/></url>
<url><loc>https://scifaro.com/en/abs/spin-polarized-extended-lagrangian-born-oppenheimer-molecular-dynamics-2303.03529</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-polarized-extended-lagrangian-born-oppenheimer-molecular-dynamics-2303.03529"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-polarized-extended-lagrangian-born-oppenheimer-molecular-dynamics-2303.03529"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-molecular-frame-quantum-tomography-2303.03558</loc><lastmod>2023-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-molecular-frame-quantum-tomography-2303.03558"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-molecular-frame-quantum-tomography-2303.03558"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-electronic-and-hydrogen-structural-dynamics-in-ammonia-imaged-with-ultrafast-electron-diffraction-2303.03586</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-electronic-and-hydrogen-structural-dynamics-in-ammonia-imaged-with-ultrafast-electron-diffraction-2303.03586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-electronic-and-hydrogen-structural-dynamics-in-ammonia-imaged-with-ultrafast-electron-diffraction-2303.03586"/></url>
<url><loc>https://scifaro.com/en/abs/extended-lagrangian-born-oppenheimer-molecular-dynamics-with-dft-u-2303.03655</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extended-lagrangian-born-oppenheimer-molecular-dynamics-with-dft-u-2303.03655"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extended-lagrangian-born-oppenheimer-molecular-dynamics-with-dft-u-2303.03655"/></url>
<url><loc>https://scifaro.com/en/abs/in-silico-characterization-of-nanoparticle-catalysts-2303.03746</loc><lastmod>2023-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/in-silico-characterization-of-nanoparticle-catalysts-2303.03746"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/in-silico-characterization-of-nanoparticle-catalysts-2303.03746"/></url>
<url><loc>https://scifaro.com/en/abs/comparing-semiclassical-mean-field-and-1-exciton-approximations-in-evaluating-optical-response-under-strong-light-matter-coupling-conditions-2303.04057</loc><lastmod>2023-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparing-semiclassical-mean-field-and-1-exciton-approximations-in-evaluating-optical-response-under-strong-light-matter-coupling-conditions-2303.04057"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparing-semiclassical-mean-field-and-1-exciton-approximations-in-evaluating-optical-response-under-strong-light-matter-coupling-conditions-2303.04057"/></url>
<url><loc>https://scifaro.com/en/abs/wigner-kernels-body-ordered-equivariant-machine-learning-without-a-basis-2303.04124</loc><lastmod>2023-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wigner-kernels-body-ordered-equivariant-machine-learning-without-a-basis-2303.04124"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wigner-kernels-body-ordered-equivariant-machine-learning-without-a-basis-2303.04124"/></url>
<url><loc>https://scifaro.com/en/abs/breaking-barriers-in-ultrafast-spectroscopy-and-imaging-using-100-khz-amplified-yb-laser-systems-2303.04250</loc><lastmod>2023-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/breaking-barriers-in-ultrafast-spectroscopy-and-imaging-using-100-khz-amplified-yb-laser-systems-2303.04250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/breaking-barriers-in-ultrafast-spectroscopy-and-imaging-using-100-khz-amplified-yb-laser-systems-2303.04250"/></url>
<url><loc>https://scifaro.com/en/abs/benchmark-phaseless-auxiliary-field-quantum-monte-carlo-method-for-small-molecules-2303.04256</loc><lastmod>2024-02-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmark-phaseless-auxiliary-field-quantum-monte-carlo-method-for-small-molecules-2303.04256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmark-phaseless-auxiliary-field-quantum-monte-carlo-method-for-small-molecules-2303.04256"/></url>
<url><loc>https://scifaro.com/en/abs/atomic-representations-of-local-and-global-chemistry-in-complex-alloys-2303.04311</loc><lastmod>2023-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomic-representations-of-local-and-global-chemistry-in-complex-alloys-2303.04311"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomic-representations-of-local-and-global-chemistry-in-complex-alloys-2303.04311"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-quantum-classical-dynamics-of-pure-dephasing-systems-2303.04538</loc><lastmod>2023-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-quantum-classical-dynamics-of-pure-dephasing-systems-2303.04538"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-quantum-classical-dynamics-of-pure-dephasing-systems-2303.04538"/></url>
<url><loc>https://scifaro.com/en/abs/spin-selective-charge-recombination-in-chiral-donor-bridge-acceptor-triads-2303.04742</loc><lastmod>2023-03-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-selective-charge-recombination-in-chiral-donor-bridge-acceptor-triads-2303.04742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-selective-charge-recombination-in-chiral-donor-bridge-acceptor-triads-2303.04742"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-imaging-of-an-elusive-molecular-reaction-hydrogen-roaming-in-acetonitrile-2303.04916</loc><lastmod>2023-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-imaging-of-an-elusive-molecular-reaction-hydrogen-roaming-in-acetonitrile-2303.04916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-imaging-of-an-elusive-molecular-reaction-hydrogen-roaming-in-acetonitrile-2303.04916"/></url>
<url><loc>https://scifaro.com/en/abs/computational-design-of-molecular-probes-for-electronic-pre-resonance-raman-scattering-microscopy-2303.04922</loc><lastmod>2023-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-design-of-molecular-probes-for-electronic-pre-resonance-raman-scattering-microscopy-2303.04922"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-design-of-molecular-probes-for-electronic-pre-resonance-raman-scattering-microscopy-2303.04922"/></url>
<url><loc>https://scifaro.com/en/abs/computational-analysis-of-chemical-reactions-using-a-variational-quantum-eigensolver-algorithm-without-specifying-spin-multiplicity-2303.05065</loc><lastmod>2023-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-analysis-of-chemical-reactions-using-a-variational-quantum-eigensolver-algorithm-without-specifying-spin-multiplicity-2303.05065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-analysis-of-chemical-reactions-using-a-variational-quantum-eigensolver-algorithm-without-specifying-spin-multiplicity-2303.05065"/></url>
<url><loc>https://scifaro.com/en/abs/unconventional-error-cancellation-explains-the-success-of-hartree-fock-density-functional-theory-for-barrier-heights-2303.05318</loc><lastmod>2023-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unconventional-error-cancellation-explains-the-success-of-hartree-fock-density-functional-theory-for-barrier-heights-2303.05318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unconventional-error-cancellation-explains-the-success-of-hartree-fock-density-functional-theory-for-barrier-heights-2303.05318"/></url>
<url><loc>https://scifaro.com/en/abs/many-body-theory-calculations-of-positron-binding-to-halogenated-hydrocarbons-2303.05359</loc><lastmod>2024-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-body-theory-calculations-of-positron-binding-to-halogenated-hydrocarbons-2303.05359"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-body-theory-calculations-of-positron-binding-to-halogenated-hydrocarbons-2303.05359"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-polariton-transport-in-disordered-media-2303.05474</loc><lastmod>2023-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-polariton-transport-in-disordered-media-2303.05474"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-polariton-transport-in-disordered-media-2303.05474"/></url>
<url><loc>https://scifaro.com/en/abs/symmetrized-drude-oscillator-force-fields-improve-numerical-performance-of-polarizable-molecular-dynamics-2303.05572</loc><lastmod>2023-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetrized-drude-oscillator-force-fields-improve-numerical-performance-of-polarizable-molecular-dynamics-2303.05572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetrized-drude-oscillator-force-fields-improve-numerical-performance-of-polarizable-molecular-dynamics-2303.05572"/></url>
<url><loc>https://scifaro.com/en/abs/microscopic-theory-analysis-and-interpretation-of-conductance-histograms-in-molecular-junctions-2303.05642</loc><lastmod>2024-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microscopic-theory-analysis-and-interpretation-of-conductance-histograms-in-molecular-junctions-2303.05642"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microscopic-theory-analysis-and-interpretation-of-conductance-histograms-in-molecular-junctions-2303.05642"/></url>
<url><loc>https://scifaro.com/en/abs/a-parallel-distributed-memory-implementation-of-the-adaptive-sampling-configuration-interaction-method-2303.05688</loc><lastmod>2023-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-parallel-distributed-memory-implementation-of-the-adaptive-sampling-configuration-interaction-method-2303.05688"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-parallel-distributed-memory-implementation-of-the-adaptive-sampling-configuration-interaction-method-2303.05688"/></url>
<url><loc>https://scifaro.com/en/abs/potential-energy-surfaces-for-electron-dynamics-from-a-model-of-localized-gaussian-wave-packets-with-valence-bond-spin-coupling-high-harmonic-generation-spectra-from-h-and-he-atoms-2303.05794</loc><lastmod>2023-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/potential-energy-surfaces-for-electron-dynamics-from-a-model-of-localized-gaussian-wave-packets-with-valence-bond-spin-coupling-high-harmonic-generation-spectra-from-h-and-he-atoms-2303.05794"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/potential-energy-surfaces-for-electron-dynamics-from-a-model-of-localized-gaussian-wave-packets-with-valence-bond-spin-coupling-high-harmonic-generation-spectra-from-h-and-he-atoms-2303.05794"/></url>
<url><loc>https://scifaro.com/en/abs/a-similarity-renormalization-group-approach-to-green-s-function-methods-2303.05984</loc><lastmod>2023-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-similarity-renormalization-group-approach-to-green-s-function-methods-2303.05984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-similarity-renormalization-group-approach-to-green-s-function-methods-2303.05984"/></url>
<url><loc>https://scifaro.com/en/abs/computing-surface-reaction-rates-by-adaptive-multilevel-splitting-combined-with-machine-learning-and-ab-initio-molecular-dynamics-2303.05993</loc><lastmod>2023-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computing-surface-reaction-rates-by-adaptive-multilevel-splitting-combined-with-machine-learning-and-ab-initio-molecular-dynamics-2303.05993"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computing-surface-reaction-rates-by-adaptive-multilevel-splitting-combined-with-machine-learning-and-ab-initio-molecular-dynamics-2303.05993"/></url>
<url><loc>https://scifaro.com/en/abs/repartitioned-brillouin-wigner-perturbation-theory-with-a-size-consistent-second-order-correlation-energy-2303.06271</loc><lastmod>2023-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/repartitioned-brillouin-wigner-perturbation-theory-with-a-size-consistent-second-order-correlation-energy-2303.06271"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/repartitioned-brillouin-wigner-perturbation-theory-with-a-size-consistent-second-order-correlation-energy-2303.06271"/></url>
<url><loc>https://scifaro.com/en/abs/how-effectively-does-the-index-of-hydrogen-deficiency-in-carbohydrates-used-in-potassium-nitrate-propellant-affect-enthalpy-change-and-its-performance-2303.06294</loc><lastmod>2023-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-effectively-does-the-index-of-hydrogen-deficiency-in-carbohydrates-used-in-potassium-nitrate-propellant-affect-enthalpy-change-and-its-performance-2303.06294"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-effectively-does-the-index-of-hydrogen-deficiency-in-carbohydrates-used-in-potassium-nitrate-propellant-affect-enthalpy-change-and-its-performance-2303.06294"/></url>
<url><loc>https://scifaro.com/en/abs/1-matrix-functional-for-long-range-interaction-energy-of-two-hydrogen-atoms-2303.06400</loc><lastmod>2023-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/1-matrix-functional-for-long-range-interaction-energy-of-two-hydrogen-atoms-2303.06400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/1-matrix-functional-for-long-range-interaction-energy-of-two-hydrogen-atoms-2303.06400"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-real-time-second-order-green-s-function-theory-for-neutral-excitations-in-molecules-and-nanostructures-2303.06874</loc><lastmod>2024-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-real-time-second-order-green-s-function-theory-for-neutral-excitations-in-molecules-and-nanostructures-2303.06874"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-real-time-second-order-green-s-function-theory-for-neutral-excitations-in-molecules-and-nanostructures-2303.06874"/></url>
<url><loc>https://scifaro.com/en/abs/validation-of-uncertainty-quantification-metrics-a-primer-based-on-the-consistency-and-adaptivity-concepts-2303.07170</loc><lastmod>2023-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/validation-of-uncertainty-quantification-metrics-a-primer-based-on-the-consistency-and-adaptivity-concepts-2303.07170"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/validation-of-uncertainty-quantification-metrics-a-primer-based-on-the-consistency-and-adaptivity-concepts-2303.07170"/></url>
<url><loc>https://scifaro.com/en/abs/towards-detection-of-molecular-parity-violation-by-microwave-spectroscopy-of-cpre-ch-3-co-no-2303.08263</loc><lastmod>2023-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-detection-of-molecular-parity-violation-by-microwave-spectroscopy-of-cpre-ch-3-co-no-2303.08263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-detection-of-molecular-parity-violation-by-microwave-spectroscopy-of-cpre-ch-3-co-no-2303.08263"/></url>
<url><loc>https://scifaro.com/en/abs/automated-patent-extraction-powers-generative-modeling-in-focused-chemical-spaces-2303.08272</loc><lastmod>2023-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-patent-extraction-powers-generative-modeling-in-focused-chemical-spaces-2303.08272"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-patent-extraction-powers-generative-modeling-in-focused-chemical-spaces-2303.08272"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-gw-frontier-orbital-energies-of-134-kilo-molecules-2303.08708</loc><lastmod>2023-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-gw-frontier-orbital-energies-of-134-kilo-molecules-2303.08708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-gw-frontier-orbital-energies-of-134-kilo-molecules-2303.08708"/></url>
<url><loc>https://scifaro.com/en/abs/response-to-comment-on-ultradense-protium-p-0-and-deuterium-d-0-and-their-relation-to-ordinary-rydberg-matter-a-review-physica-scripta-94-2019-075005-2303.08775</loc><lastmod>2023-03-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/response-to-comment-on-ultradense-protium-p-0-and-deuterium-d-0-and-their-relation-to-ordinary-rydberg-matter-a-review-physica-scripta-94-2019-075005-2303.08775"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/response-to-comment-on-ultradense-protium-p-0-and-deuterium-d-0-and-their-relation-to-ordinary-rydberg-matter-a-review-physica-scripta-94-2019-075005-2303.08775"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-bonding-in-americium-oxides-x-ray-spectroscopic-view-2303.09247</loc><lastmod>2023-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-bonding-in-americium-oxides-x-ray-spectroscopic-view-2303.09247"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-bonding-in-americium-oxides-x-ray-spectroscopic-view-2303.09247"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-carbon-content-on-electronic-structure-of-uranium-carbides-2303.09256</loc><lastmod>2023-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-carbon-content-on-electronic-structure-of-uranium-carbides-2303.09256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-carbon-content-on-electronic-structure-of-uranium-carbides-2303.09256"/></url>
<url><loc>https://scifaro.com/en/abs/contribution-of-the-oxygen-reduction-reaction-to-the-electrochemical-cathodic-partial-reaction-for-mg-al-ca-solid-solutions-2303.09324</loc><lastmod>2023-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/contribution-of-the-oxygen-reduction-reaction-to-the-electrochemical-cathodic-partial-reaction-for-mg-al-ca-solid-solutions-2303.09324"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/contribution-of-the-oxygen-reduction-reaction-to-the-electrochemical-cathodic-partial-reaction-for-mg-al-ca-solid-solutions-2303.09324"/></url>
<url><loc>https://scifaro.com/en/abs/refinement-of-molecular-dynamics-ensembles-using-experimental-data-and-flexible-forward-models-2303.09372</loc><lastmod>2023-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/refinement-of-molecular-dynamics-ensembles-using-experimental-data-and-flexible-forward-models-2303.09372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/refinement-of-molecular-dynamics-ensembles-using-experimental-data-and-flexible-forward-models-2303.09372"/></url>
<url><loc>https://scifaro.com/en/abs/dsdp-a-blind-docking-strategy-accelerated-by-gpus-2303.09916</loc><lastmod>2023-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dsdp-a-blind-docking-strategy-accelerated-by-gpus-2303.09916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dsdp-a-blind-docking-strategy-accelerated-by-gpus-2303.09916"/></url>
<url><loc>https://scifaro.com/en/abs/two-component-gw-calculations-cubic-scaling-implementation-and-comparison-of-vertex-corrected-and-partially-self-consistent-gw-variants-2303.09979</loc><lastmod>2023-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-component-gw-calculations-cubic-scaling-implementation-and-comparison-of-vertex-corrected-and-partially-self-consistent-gw-variants-2303.09979"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-component-gw-calculations-cubic-scaling-implementation-and-comparison-of-vertex-corrected-and-partially-self-consistent-gw-variants-2303.09979"/></url>
<url><loc>https://scifaro.com/en/abs/line-positions-and-intensities-of-the-nu-1-band-of-12-ch-3-i-using-mid-infrared-optical-frequency-comb-fourier-transform-spectroscopy-2303.10066</loc><lastmod>2023-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/line-positions-and-intensities-of-the-nu-1-band-of-12-ch-3-i-using-mid-infrared-optical-frequency-comb-fourier-transform-spectroscopy-2303.10066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/line-positions-and-intensities-of-the-nu-1-band-of-12-ch-3-i-using-mid-infrared-optical-frequency-comb-fourier-transform-spectroscopy-2303.10066"/></url>
<url><loc>https://scifaro.com/en/abs/theory-and-modeling-of-light-matter-interactions-in-chemistry-current-and-future-2303.10111</loc><lastmod>2023-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-and-modeling-of-light-matter-interactions-in-chemistry-current-and-future-2303.10111"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-and-modeling-of-light-matter-interactions-in-chemistry-current-and-future-2303.10111"/></url>
<url><loc>https://scifaro.com/en/abs/lithium-storage-in-titania-films-as-a-function-of-position-unification-of-intercalation-electrode-and-super-capacitor-concepts-2303.10284</loc><lastmod>2023-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lithium-storage-in-titania-films-as-a-function-of-position-unification-of-intercalation-electrode-and-super-capacitor-concepts-2303.10284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lithium-storage-in-titania-films-as-a-function-of-position-unification-of-intercalation-electrode-and-super-capacitor-concepts-2303.10284"/></url>
<url><loc>https://scifaro.com/en/abs/post-radiation-phenomena-in-thermally-treated-kr-matrices-2303.10416</loc><lastmod>2023-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/post-radiation-phenomena-in-thermally-treated-kr-matrices-2303.10416"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/post-radiation-phenomena-in-thermally-treated-kr-matrices-2303.10416"/></url>
<url><loc>https://scifaro.com/en/abs/optimization-of-microfluidic-synthesis-of-silver-nanoparticles-a-generic-approach-using-machine-learning-2303.10469</loc><lastmod>2023-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimization-of-microfluidic-synthesis-of-silver-nanoparticles-a-generic-approach-using-machine-learning-2303.10469"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimization-of-microfluidic-synthesis-of-silver-nanoparticles-a-generic-approach-using-machine-learning-2303.10469"/></url>
<url><loc>https://scifaro.com/en/abs/iontronic-microscopy-of-a-tungsten-microelectrode-seeing-ionic-currents-under-an-optical-microscope-2303.10755</loc><lastmod>2023-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/iontronic-microscopy-of-a-tungsten-microelectrode-seeing-ionic-currents-under-an-optical-microscope-2303.10755"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/iontronic-microscopy-of-a-tungsten-microelectrode-seeing-ionic-currents-under-an-optical-microscope-2303.10755"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-the-effects-of-orbital-relaxation-and-the-coherent-state-transformation-in-quantum-electrodynamics-density-functional-and-coupled-cluster-theories-2303.10821</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-the-effects-of-orbital-relaxation-and-the-coherent-state-transformation-in-quantum-electrodynamics-density-functional-and-coupled-cluster-theories-2303.10821"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-the-effects-of-orbital-relaxation-and-the-coherent-state-transformation-in-quantum-electrodynamics-density-functional-and-coupled-cluster-theories-2303.10821"/></url>
<url><loc>https://scifaro.com/en/abs/validation-of-the-alchemical-transfer-method-for-the-estimation-of-relative-binding-affinities-of-molecular-series-2303.11065</loc><lastmod>2023-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/validation-of-the-alchemical-transfer-method-for-the-estimation-of-relative-binding-affinities-of-molecular-series-2303.11065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/validation-of-the-alchemical-transfer-method-for-the-estimation-of-relative-binding-affinities-of-molecular-series-2303.11065"/></url>
<url><loc>https://scifaro.com/en/abs/next-order-correction-to-the-dirac-exchange-energy-of-the-free-electron-gas-in-the-thermodynamic-limit-and-generalized-gradient-approximations-2303.11370</loc><lastmod>2025-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/next-order-correction-to-the-dirac-exchange-energy-of-the-free-electron-gas-in-the-thermodynamic-limit-and-generalized-gradient-approximations-2303.11370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/next-order-correction-to-the-dirac-exchange-energy-of-the-free-electron-gas-in-the-thermodynamic-limit-and-generalized-gradient-approximations-2303.11370"/></url>
<url><loc>https://scifaro.com/en/abs/classical-density-functional-theory-reveals-structural-information-of-h2-and-ch4-fluids-adsorbed-in-mof-5-2303.11384</loc><lastmod>2023-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classical-density-functional-theory-reveals-structural-information-of-h2-and-ch4-fluids-adsorbed-in-mof-5-2303.11384"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classical-density-functional-theory-reveals-structural-information-of-h2-and-ch4-fluids-adsorbed-in-mof-5-2303.11384"/></url>
<url><loc>https://scifaro.com/en/abs/interpreting-ultrafast-electron-transfer-on-surfaces-with-a-converged-first-principles-newns-anderson-chemisorption-function-2303.11412</loc><lastmod>2023-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpreting-ultrafast-electron-transfer-on-surfaces-with-a-converged-first-principles-newns-anderson-chemisorption-function-2303.11412"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpreting-ultrafast-electron-transfer-on-surfaces-with-a-converged-first-principles-newns-anderson-chemisorption-function-2303.11412"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-potential-energy-surfaces-for-a-molecule-on-a-surface-as-found-by-constrained-complete-active-space-theory-2303.11488</loc><lastmod>2023-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-potential-energy-surfaces-for-a-molecule-on-a-surface-as-found-by-constrained-complete-active-space-theory-2303.11488"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-potential-energy-surfaces-for-a-molecule-on-a-surface-as-found-by-constrained-complete-active-space-theory-2303.11488"/></url>
<url><loc>https://scifaro.com/en/abs/alphamat-a-material-informatics-hub-connecting-data-features-models-and-applications-2303.11651</loc><lastmod>2023-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alphamat-a-material-informatics-hub-connecting-data-features-models-and-applications-2303.11651"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alphamat-a-material-informatics-hub-connecting-data-features-models-and-applications-2303.11651"/></url>
<url><loc>https://scifaro.com/en/abs/transfer-learned-potential-energy-surfaces-towards-microsecond-scale-molecular-dynamics-simulations-in-the-gas-phase-at-ccsd-t-quality-2303.11685</loc><lastmod>2023-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transfer-learned-potential-energy-surfaces-towards-microsecond-scale-molecular-dynamics-simulations-in-the-gas-phase-at-ccsd-t-quality-2303.11685"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transfer-learned-potential-energy-surfaces-towards-microsecond-scale-molecular-dynamics-simulations-in-the-gas-phase-at-ccsd-t-quality-2303.11685"/></url>
<url><loc>https://scifaro.com/en/abs/excited-electronic-states-of-sr-2-ab-initio-predictions-and-experimental-observation-of-the-2-1-sigma-u-state-2303.11709</loc><lastmod>2023-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-electronic-states-of-sr-2-ab-initio-predictions-and-experimental-observation-of-the-2-1-sigma-u-state-2303.11709"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-electronic-states-of-sr-2-ab-initio-predictions-and-experimental-observation-of-the-2-1-sigma-u-state-2303.11709"/></url>
<url><loc>https://scifaro.com/en/abs/solution-processed-nips3-thin-films-from-liquid-exfoliated-inks-with-long-lived-spin-entangled-excitons-2303.11788</loc><lastmod>2023-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solution-processed-nips3-thin-films-from-liquid-exfoliated-inks-with-long-lived-spin-entangled-excitons-2303.11788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solution-processed-nips3-thin-films-from-liquid-exfoliated-inks-with-long-lived-spin-entangled-excitons-2303.11788"/></url>
<url><loc>https://scifaro.com/en/abs/conformational-and-state-specific-effects-in-reactions-of-2-3-dibromobutadiene-with-coulomb-crystallized-calcium-ions-2303.11813</loc><lastmod>2023-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformational-and-state-specific-effects-in-reactions-of-2-3-dibromobutadiene-with-coulomb-crystallized-calcium-ions-2303.11813"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformational-and-state-specific-effects-in-reactions-of-2-3-dibromobutadiene-with-coulomb-crystallized-calcium-ions-2303.11813"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-photoassociative-spectra-of-ultracold-nak-k-2303.11891</loc><lastmod>2023-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-photoassociative-spectra-of-ultracold-nak-k-2303.11891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-photoassociative-spectra-of-ultracold-nak-k-2303.11891"/></url>
<url><loc>https://scifaro.com/en/abs/reaction-dynamics-for-the-cl-2-p-xcl-to-xcl-cl-2-p-x-h-d-mu-reaction-on-a-high-fidelity-ground-state-potential-energy-surface-2303.11973</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaction-dynamics-for-the-cl-2-p-xcl-to-xcl-cl-2-p-x-h-d-mu-reaction-on-a-high-fidelity-ground-state-potential-energy-surface-2303.11973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaction-dynamics-for-the-cl-2-p-xcl-to-xcl-cl-2-p-x-h-d-mu-reaction-on-a-high-fidelity-ground-state-potential-energy-surface-2303.11973"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-simulation-of-self-oscillating-catalytic-reaction-in-a-plug-flow-reactor-2303.12022</loc><lastmod>2023-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-simulation-of-self-oscillating-catalytic-reaction-in-a-plug-flow-reactor-2303.12022"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-simulation-of-self-oscillating-catalytic-reaction-in-a-plug-flow-reactor-2303.12022"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-use-of-qm-mm-surface-hopping-simulations-to-understand-thermally-activated-rare-event-nonadiabatic-transitions-in-the-condensed-phase-2303.12639</loc><lastmod>2023-03-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-use-of-qm-mm-surface-hopping-simulations-to-understand-thermally-activated-rare-event-nonadiabatic-transitions-in-the-condensed-phase-2303.12639"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-use-of-qm-mm-surface-hopping-simulations-to-understand-thermally-activated-rare-event-nonadiabatic-transitions-in-the-condensed-phase-2303.12639"/></url>
<url><loc>https://scifaro.com/en/abs/transcorrelated-coupled-cluster-methods-ii-molecular-systems-2303.12903</loc><lastmod>2023-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transcorrelated-coupled-cluster-methods-ii-molecular-systems-2303.12903"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transcorrelated-coupled-cluster-methods-ii-molecular-systems-2303.12903"/></url>
<url><loc>https://scifaro.com/en/abs/shadow-molecular-dynamics-and-atomic-cluster-expansions-for-flexible-charge-models-2303.12962</loc><lastmod>2023-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/shadow-molecular-dynamics-and-atomic-cluster-expansions-for-flexible-charge-models-2303.12962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/shadow-molecular-dynamics-and-atomic-cluster-expansions-for-flexible-charge-models-2303.12962"/></url>
<url><loc>https://scifaro.com/en/abs/gmp-featurizer-a-parallelized-python-package-for-efficiently-computing-the-gaussian-multipole-features-of-atomic-systems-2303.12980</loc><lastmod>2023-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gmp-featurizer-a-parallelized-python-package-for-efficiently-computing-the-gaussian-multipole-features-of-atomic-systems-2303.12980"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gmp-featurizer-a-parallelized-python-package-for-efficiently-computing-the-gaussian-multipole-features-of-atomic-systems-2303.12980"/></url>
<url><loc>https://scifaro.com/en/abs/power-law-in-a-bounded-range-estimating-the-lower-and-upper-bounds-from-sample-data-2303.13456</loc><lastmod>2023-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/power-law-in-a-bounded-range-estimating-the-lower-and-upper-bounds-from-sample-data-2303.13456"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/power-law-in-a-bounded-range-estimating-the-lower-and-upper-bounds-from-sample-data-2303.13456"/></url>
<url><loc>https://scifaro.com/en/abs/probing-c-i-bond-fission-in-the-uv-photochemistry-of-2-iodothiophene-with-core-to-valence-transient-absorption-spectroscopy-2303.13467</loc><lastmod>2023-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-c-i-bond-fission-in-the-uv-photochemistry-of-2-iodothiophene-with-core-to-valence-transient-absorption-spectroscopy-2303.13467"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-c-i-bond-fission-in-the-uv-photochemistry-of-2-iodothiophene-with-core-to-valence-transient-absorption-spectroscopy-2303.13467"/></url>
<url><loc>https://scifaro.com/en/abs/total-angular-momentum-conservation-in-ab-initio-born-oppenheimer-molecular-dynamics-2303.13787</loc><lastmod>2024-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/total-angular-momentum-conservation-in-ab-initio-born-oppenheimer-molecular-dynamics-2303.13787"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/total-angular-momentum-conservation-in-ab-initio-born-oppenheimer-molecular-dynamics-2303.13787"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-the-hydrogen-bond-network-in-high-pressure-water-by-deep-potential-molecular-dynamics-2303.13851</loc><lastmod>2023-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-the-hydrogen-bond-network-in-high-pressure-water-by-deep-potential-molecular-dynamics-2303.13851"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-the-hydrogen-bond-network-in-high-pressure-water-by-deep-potential-molecular-dynamics-2303.13851"/></url>
<url><loc>https://scifaro.com/en/abs/wave-packet-surface-propagation-for-light-induced-molecular-dissociation-2303.13991</loc><lastmod>2024-01-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wave-packet-surface-propagation-for-light-induced-molecular-dissociation-2303.13991"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wave-packet-surface-propagation-for-light-induced-molecular-dissociation-2303.13991"/></url>
<url><loc>https://scifaro.com/en/abs/cell-format-dependent-mechanical-damage-in-silicon-anodes-2303.14112</loc><lastmod>2024-02-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cell-format-dependent-mechanical-damage-in-silicon-anodes-2303.14112"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cell-format-dependent-mechanical-damage-in-silicon-anodes-2303.14112"/></url>
<url><loc>https://scifaro.com/en/abs/anticorrosion-properties-of-silica-based-sol-gel-coatings-on-steel-the-influence-of-hydrolysis-and-condensation-conditions-2303.14250</loc><lastmod>2023-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anticorrosion-properties-of-silica-based-sol-gel-coatings-on-steel-the-influence-of-hydrolysis-and-condensation-conditions-2303.14250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anticorrosion-properties-of-silica-based-sol-gel-coatings-on-steel-the-influence-of-hydrolysis-and-condensation-conditions-2303.14250"/></url>
<url><loc>https://scifaro.com/en/abs/tunneling-in-a-very-slow-ion-molecule-reaction-2303.14948</loc><lastmod>2023-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tunneling-in-a-very-slow-ion-molecule-reaction-2303.14948"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tunneling-in-a-very-slow-ion-molecule-reaction-2303.14948"/></url>
<url><loc>https://scifaro.com/en/abs/contactium-a-strongly-correlated-model-system-2303.14982</loc><lastmod>2023-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/contactium-a-strongly-correlated-model-system-2303.14982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/contactium-a-strongly-correlated-model-system-2303.14982"/></url>
<url><loc>https://scifaro.com/en/abs/gaussian-process-regression-adaptive-density-guided-approach-towards-calculations-of-potential-energy-surfaces-for-larger-molecules-2303.15188</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-process-regression-adaptive-density-guided-approach-towards-calculations-of-potential-energy-surfaces-for-larger-molecules-2303.15188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-process-regression-adaptive-density-guided-approach-towards-calculations-of-potential-energy-surfaces-for-larger-molecules-2303.15188"/></url>
<url><loc>https://scifaro.com/en/abs/reducing-the-cost-of-neural-network-potential-generation-for-reactive-molecular-systems-2303.15521</loc><lastmod>2023-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reducing-the-cost-of-neural-network-potential-generation-for-reactive-molecular-systems-2303.15521"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reducing-the-cost-of-neural-network-potential-generation-for-reactive-molecular-systems-2303.15521"/></url>
<url><loc>https://scifaro.com/en/abs/a-machine-learning-approach-based-on-range-corrected-deep-potential-model-for-efficient-vibrational-frequency-computation-2303.15969</loc><lastmod>2023-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-machine-learning-approach-based-on-range-corrected-deep-potential-model-for-efficient-vibrational-frequency-computation-2303.15969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-machine-learning-approach-based-on-range-corrected-deep-potential-model-for-efficient-vibrational-frequency-computation-2303.15969"/></url>
<url><loc>https://scifaro.com/en/abs/molecules-in-environments-towards-systematic-quantum-embedding-of-electrons-and-drude-oscillators-2303.16250</loc><lastmod>2023-03-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecules-in-environments-towards-systematic-quantum-embedding-of-electrons-and-drude-oscillators-2303.16250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecules-in-environments-towards-systematic-quantum-embedding-of-electrons-and-drude-oscillators-2303.16250"/></url>
<url><loc>https://scifaro.com/en/abs/kernel-based-quantum-machine-learning-at-record-rate-many-body-distribution-functionals-as-compact-representations-2303.16312</loc><lastmod>2023-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kernel-based-quantum-machine-learning-at-record-rate-many-body-distribution-functionals-as-compact-representations-2303.16312"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kernel-based-quantum-machine-learning-at-record-rate-many-body-distribution-functionals-as-compact-representations-2303.16312"/></url>
<url><loc>https://scifaro.com/en/abs/highly-accurate-quantum-chemical-property-prediction-with-uni-mol-2303.16982</loc><lastmod>2023-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-accurate-quantum-chemical-property-prediction-with-uni-mol-2303.16982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-accurate-quantum-chemical-property-prediction-with-uni-mol-2303.16982"/></url>
<url><loc>https://scifaro.com/en/abs/calculation-of-thermodynamic-equilibria-with-the-predictive-electrolyte-model-cosmo-rs-es-improvements-for-low-permittivity-systems-2303.16987</loc><lastmod>2023-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculation-of-thermodynamic-equilibria-with-the-predictive-electrolyte-model-cosmo-rs-es-improvements-for-low-permittivity-systems-2303.16987"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculation-of-thermodynamic-equilibria-with-the-predictive-electrolyte-model-cosmo-rs-es-improvements-for-low-permittivity-systems-2303.16987"/></url>
<url><loc>https://scifaro.com/en/abs/capturing-the-electron-electron-cusp-with-the-coupling-constant-averaged-exchange-correlation-hole-a-case-study-for-hooke-s-atoms-2303.17149</loc><lastmod>2023-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/capturing-the-electron-electron-cusp-with-the-coupling-constant-averaged-exchange-correlation-hole-a-case-study-for-hooke-s-atoms-2303.17149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/capturing-the-electron-electron-cusp-with-the-coupling-constant-averaged-exchange-correlation-hole-a-case-study-for-hooke-s-atoms-2303.17149"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-and-transport-properties-modeling-of-deep-eutectic-solvents-a-review-on-ge-models-equations-of-state-and-molecular-dynamics-2303.17159</loc><lastmod>2023-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-and-transport-properties-modeling-of-deep-eutectic-solvents-a-review-on-ge-models-equations-of-state-and-molecular-dynamics-2303.17159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-and-transport-properties-modeling-of-deep-eutectic-solvents-a-review-on-ge-models-equations-of-state-and-molecular-dynamics-2303.17159"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-analogy-between-the-restricted-primitive-model-and-capacitor-circuits-semi-empirical-alternatives-for-over-and-underscreening-in-the-calculation-of-mean-ionic-activity-coefficients-2303.17168</loc><lastmod>2023-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-analogy-between-the-restricted-primitive-model-and-capacitor-circuits-semi-empirical-alternatives-for-over-and-underscreening-in-the-calculation-of-mean-ionic-activity-coefficients-2303.17168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-analogy-between-the-restricted-primitive-model-and-capacitor-circuits-semi-empirical-alternatives-for-over-and-underscreening-in-the-calculation-of-mean-ionic-activity-coefficients-2303.17168"/></url>
<url><loc>https://scifaro.com/en/abs/common-cations-are-not-polarizable-effects-of-dispersion-correction-on-hydration-structures-from-ab-initio-molecular-dynamics-2303.17273</loc><lastmod>2023-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/common-cations-are-not-polarizable-effects-of-dispersion-correction-on-hydration-structures-from-ab-initio-molecular-dynamics-2303.17273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/common-cations-are-not-polarizable-effects-of-dispersion-correction-on-hydration-structures-from-ab-initio-molecular-dynamics-2303.17273"/></url>
<url><loc>https://scifaro.com/en/abs/general-exponential-basis-set-parametrization-application-to-time-dependent-bivariational-wave-functions-2303.17287</loc><lastmod>2023-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-exponential-basis-set-parametrization-application-to-time-dependent-bivariational-wave-functions-2303.17287"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-exponential-basis-set-parametrization-application-to-time-dependent-bivariational-wave-functions-2303.17287"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-simulation-of-the-ultrafast-circular-dichroism-spectrum-of-provitamin-d-ring-opening-2303.17724</loc><lastmod>2023-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-simulation-of-the-ultrafast-circular-dichroism-spectrum-of-provitamin-d-ring-opening-2303.17724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-simulation-of-the-ultrafast-circular-dichroism-spectrum-of-provitamin-d-ring-opening-2303.17724"/></url>
<url><loc>https://scifaro.com/en/abs/comparative-density-functional-theory-study-of-magnetic-exchange-coupling-in-di-nuclear-transition-metal-complexes-2303.17737</loc><lastmod>2023-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparative-density-functional-theory-study-of-magnetic-exchange-coupling-in-di-nuclear-transition-metal-complexes-2303.17737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparative-density-functional-theory-study-of-magnetic-exchange-coupling-in-di-nuclear-transition-metal-complexes-2303.17737"/></url>
<url><loc>https://scifaro.com/en/abs/study-of-the-bound-state-electron-detachment-energy-and-reactivity-of-hydride-ion-using-variational-quantum-eigensolver-2304.00023</loc><lastmod>2023-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/study-of-the-bound-state-electron-detachment-energy-and-reactivity-of-hydride-ion-using-variational-quantum-eigensolver-2304.00023"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/study-of-the-bound-state-electron-detachment-energy-and-reactivity-of-hydride-ion-using-variational-quantum-eigensolver-2304.00023"/></url>
<url><loc>https://scifaro.com/en/abs/compression-of-exact-wavefunctions-with-restricted-boltzmann-machine-auto-encoders-2304.00259</loc><lastmod>2023-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/compression-of-exact-wavefunctions-with-restricted-boltzmann-machine-auto-encoders-2304.00259"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/compression-of-exact-wavefunctions-with-restricted-boltzmann-machine-auto-encoders-2304.00259"/></url>
<url><loc>https://scifaro.com/en/abs/hyaluronan-arginine-enhanced-interaction-emerges-from-distinctive-molecular-signature-with-improved-electrostatics-and-side-chain-specificity-2304.00547</loc><lastmod>2023-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hyaluronan-arginine-enhanced-interaction-emerges-from-distinctive-molecular-signature-with-improved-electrostatics-and-side-chain-specificity-2304.00547"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hyaluronan-arginine-enhanced-interaction-emerges-from-distinctive-molecular-signature-with-improved-electrostatics-and-side-chain-specificity-2304.00547"/></url>
<url><loc>https://scifaro.com/en/abs/a-method-to-capture-the-large-relativistic-and-solvent-effects-on-the-uv-vis-spectra-of-photo-activated-metal-complexes-2304.00618</loc><lastmod>2023-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-method-to-capture-the-large-relativistic-and-solvent-effects-on-the-uv-vis-spectra-of-photo-activated-metal-complexes-2304.00618"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-method-to-capture-the-large-relativistic-and-solvent-effects-on-the-uv-vis-spectra-of-photo-activated-metal-complexes-2304.00618"/></url>
<url><loc>https://scifaro.com/en/abs/gaussian-expansion-of-yukawa-non-local-kinetic-energy-functionals-application-to-metal-clusters-2304.00754</loc><lastmod>2023-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussian-expansion-of-yukawa-non-local-kinetic-energy-functionals-application-to-metal-clusters-2304.00754"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussian-expansion-of-yukawa-non-local-kinetic-energy-functionals-application-to-metal-clusters-2304.00754"/></url>
<url><loc>https://scifaro.com/en/abs/multi-level-protocol-for-mechanistic-reaction-studies-using-semi-local-fitted-potential-energy-surfaces-2304.00942</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-level-protocol-for-mechanistic-reaction-studies-using-semi-local-fitted-potential-energy-surfaces-2304.00942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-level-protocol-for-mechanistic-reaction-studies-using-semi-local-fitted-potential-energy-surfaces-2304.00942"/></url>
<url><loc>https://scifaro.com/en/abs/using-electron-energy-loss-spectroscopy-to-measure-nanoscale-electronic-and-vibrational-dynamics-in-a-tem-2304.01364</loc><lastmod>2024-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-electron-energy-loss-spectroscopy-to-measure-nanoscale-electronic-and-vibrational-dynamics-in-a-tem-2304.01364"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-electron-energy-loss-spectroscopy-to-measure-nanoscale-electronic-and-vibrational-dynamics-in-a-tem-2304.01364"/></url>
<url><loc>https://scifaro.com/en/abs/hilbert-space-multireference-coupled-clusters-tailored-by-matrix-product-states-2304.01625</loc><lastmod>2025-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hilbert-space-multireference-coupled-clusters-tailored-by-matrix-product-states-2304.01625"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hilbert-space-multireference-coupled-clusters-tailored-by-matrix-product-states-2304.01625"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-and-flexible-approach-for-computing-rovibrational-polaritons-from-first-principles-2304.02346</loc><lastmod>2023-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-and-flexible-approach-for-computing-rovibrational-polaritons-from-first-principles-2304.02346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-and-flexible-approach-for-computing-rovibrational-polaritons-from-first-principles-2304.02346"/></url>
<url><loc>https://scifaro.com/en/abs/the-generation-and-analysis-of-tritium-substituted-methane-2304.02495</loc><lastmod>2023-04-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-generation-and-analysis-of-tritium-substituted-methane-2304.02495"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-generation-and-analysis-of-tritium-substituted-methane-2304.02495"/></url>
<url><loc>https://scifaro.com/en/abs/essential-tools-of-linear-algebra-for-calculating-nuclear-spin-dynamics-of-chemically-exchanging-systems-2304.03139</loc><lastmod>2023-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/essential-tools-of-linear-algebra-for-calculating-nuclear-spin-dynamics-of-chemically-exchanging-systems-2304.03139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/essential-tools-of-linear-algebra-for-calculating-nuclear-spin-dynamics-of-chemically-exchanging-systems-2304.03139"/></url>
<url><loc>https://scifaro.com/en/abs/towards-self-driving-laboratories-the-central-role-of-density-functional-theory-in-the-ai-age-2304.03272</loc><lastmod>2023-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-self-driving-laboratories-the-central-role-of-density-functional-theory-in-the-ai-age-2304.03272"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-self-driving-laboratories-the-central-role-of-density-functional-theory-in-the-ai-age-2304.03272"/></url>
<url><loc>https://scifaro.com/en/abs/nmr-shift-prediction-from-small-data-quantities-2304.03361</loc><lastmod>2023-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nmr-shift-prediction-from-small-data-quantities-2304.03361"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nmr-shift-prediction-from-small-data-quantities-2304.03361"/></url>
<url><loc>https://scifaro.com/en/abs/g-0w-0-ionization-potentials-of-first-row-transition-metal-aqua-ions-2304.03381</loc><lastmod>2023-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/g-0w-0-ionization-potentials-of-first-row-transition-metal-aqua-ions-2304.03381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/g-0w-0-ionization-potentials-of-first-row-transition-metal-aqua-ions-2304.03381"/></url>
<url><loc>https://scifaro.com/en/abs/comparative-analysis-of-five-nh-3-air-oxidation-mechanisms-2304.03549</loc><lastmod>2023-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparative-analysis-of-five-nh-3-air-oxidation-mechanisms-2304.03549"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparative-analysis-of-five-nh-3-air-oxidation-mechanisms-2304.03549"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-electrodes-in-study-of-hydrovoltaic-effects-2304.03592</loc><lastmod>2023-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-electrodes-in-study-of-hydrovoltaic-effects-2304.03592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-electrodes-in-study-of-hydrovoltaic-effects-2304.03592"/></url>
<url><loc>https://scifaro.com/en/abs/deciphering-the-influence-of-ground-state-distributions-on-the-calculation-of-photolysis-observables-2304.03644</loc><lastmod>2023-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deciphering-the-influence-of-ground-state-distributions-on-the-calculation-of-photolysis-observables-2304.03644"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deciphering-the-influence-of-ground-state-distributions-on-the-calculation-of-photolysis-observables-2304.03644"/></url>
<url><loc>https://scifaro.com/en/abs/high-accuracy-uncertainty-aware-interatomic-force-modeling-with-equivariant-bayesian-neural-networks-2304.03694</loc><lastmod>2023-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-accuracy-uncertainty-aware-interatomic-force-modeling-with-equivariant-bayesian-neural-networks-2304.03694"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-accuracy-uncertainty-aware-interatomic-force-modeling-with-equivariant-bayesian-neural-networks-2304.03694"/></url>
<url><loc>https://scifaro.com/en/abs/geotmi-predicting-quantum-chemical-property-with-easy-to-obtain-geometry-via-positional-denoising-2304.03724</loc><lastmod>2023-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geotmi-predicting-quantum-chemical-property-with-easy-to-obtain-geometry-via-positional-denoising-2304.03724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geotmi-predicting-quantum-chemical-property-with-easy-to-obtain-geometry-via-positional-denoising-2304.03724"/></url>
<url><loc>https://scifaro.com/en/abs/open-shell-tensor-hypercontraction-2304.04040</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/open-shell-tensor-hypercontraction-2304.04040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/open-shell-tensor-hypercontraction-2304.04040"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-and-efficient-route-towards-improved-energetics-within-the-framework-of-density-corrected-density-functional-theory-2304.04473</loc><lastmod>2023-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-and-efficient-route-towards-improved-energetics-within-the-framework-of-density-corrected-density-functional-theory-2304.04473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-and-efficient-route-towards-improved-energetics-within-the-framework-of-density-corrected-density-functional-theory-2304.04473"/></url>
<url><loc>https://scifaro.com/en/abs/consequences-of-utilizing-a-redox-active-polymeric-binder-in-li-ion-batteries-2304.04638</loc><lastmod>2023-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/consequences-of-utilizing-a-redox-active-polymeric-binder-in-li-ion-batteries-2304.04638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/consequences-of-utilizing-a-redox-active-polymeric-binder-in-li-ion-batteries-2304.04638"/></url>
<url><loc>https://scifaro.com/en/abs/sensitivity-analysis-for-reaxff-reparameterization-using-the-hilbert-schmidt-independence-criterion-2304.05046</loc><lastmod>2023-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sensitivity-analysis-for-reaxff-reparameterization-using-the-hilbert-schmidt-independence-criterion-2304.05046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sensitivity-analysis-for-reaxff-reparameterization-using-the-hilbert-schmidt-independence-criterion-2304.05046"/></url>
<url><loc>https://scifaro.com/en/abs/correlative-imaging-of-individual-cspbbr3-nanocrystals-role-of-isolated-grains-in-photoluminescence-of-perovskite-polycrystalline-thin-films-2304.05114</loc><lastmod>2023-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlative-imaging-of-individual-cspbbr3-nanocrystals-role-of-isolated-grains-in-photoluminescence-of-perovskite-polycrystalline-thin-films-2304.05114"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlative-imaging-of-individual-cspbbr3-nanocrystals-role-of-isolated-grains-in-photoluminescence-of-perovskite-polycrystalline-thin-films-2304.05114"/></url>
<url><loc>https://scifaro.com/en/abs/tree-tensor-network-state-approach-for-solving-hierarchical-equations-of-motion-2304.05151</loc><lastmod>2023-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tree-tensor-network-state-approach-for-solving-hierarchical-equations-of-motion-2304.05151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tree-tensor-network-state-approach-for-solving-hierarchical-equations-of-motion-2304.05151"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-bonding-in-the-c-2-molecule-2304.05169</loc><lastmod>2023-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-bonding-in-the-c-2-molecule-2304.05169"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-bonding-in-the-c-2-molecule-2304.05169"/></url>
<url><loc>https://scifaro.com/en/abs/diode-laser-spectroscopy-of-methyl-iodide-at-850-nm-2304.05194</loc><lastmod>2023-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diode-laser-spectroscopy-of-methyl-iodide-at-850-nm-2304.05194"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diode-laser-spectroscopy-of-methyl-iodide-at-850-nm-2304.05194"/></url>
<url><loc>https://scifaro.com/en/abs/three-body-recombination-in-physical-chemistry-2304.05272</loc><lastmod>2023-08-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/three-body-recombination-in-physical-chemistry-2304.05272"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/three-body-recombination-in-physical-chemistry-2304.05272"/></url>
<url><loc>https://scifaro.com/en/abs/emergent-autonomous-scientific-research-capabilities-of-large-language-models-2304.05332</loc><lastmod>2023-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/emergent-autonomous-scientific-research-capabilities-of-large-language-models-2304.05332"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/emergent-autonomous-scientific-research-capabilities-of-large-language-models-2304.05332"/></url>
<url><loc>https://scifaro.com/en/abs/bayesian-optimization-of-catalysis-with-in-context-learning-2304.05341</loc><lastmod>2025-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bayesian-optimization-of-catalysis-with-in-context-learning-2304.05341"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bayesian-optimization-of-catalysis-with-in-context-learning-2304.05341"/></url>
<url><loc>https://scifaro.com/en/abs/chemcrow-augmenting-large-language-models-with-chemistry-tools-2304.05376</loc><lastmod>2023-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemcrow-augmenting-large-language-models-with-chemistry-tools-2304.05376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemcrow-augmenting-large-language-models-with-chemistry-tools-2304.05376"/></url>
<url><loc>https://scifaro.com/en/abs/bloom-filters-for-molecules-2304.05386</loc><lastmod>2023-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bloom-filters-for-molecules-2304.05386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bloom-filters-for-molecules-2304.05386"/></url>
<url><loc>https://scifaro.com/en/abs/heterogeneous-singlet-fission-in-a-covalently-linked-pentacene-dimer-2304.05432</loc><lastmod>2024-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heterogeneous-singlet-fission-in-a-covalently-linked-pentacene-dimer-2304.05432"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heterogeneous-singlet-fission-in-a-covalently-linked-pentacene-dimer-2304.05432"/></url>
<url><loc>https://scifaro.com/en/abs/neural-network-gaussian-processes-as-efficient-models-of-potential-energy-surfaces-for-polyatomic-molecules-2304.05528</loc><lastmod>2023-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-network-gaussian-processes-as-efficient-models-of-potential-energy-surfaces-for-polyatomic-molecules-2304.05528"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-network-gaussian-processes-as-efficient-models-of-potential-energy-surfaces-for-polyatomic-molecules-2304.05528"/></url>
<url><loc>https://scifaro.com/en/abs/evolution-of-the-hydrogen-bonded-network-in-methanol-water-mixtures-upon-cooling-2304.05624</loc><lastmod>2023-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evolution-of-the-hydrogen-bonded-network-in-methanol-water-mixtures-upon-cooling-2304.05624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evolution-of-the-hydrogen-bonded-network-in-methanol-water-mixtures-upon-cooling-2304.05624"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-transition-state-generation-with-an-object-aware-equivariant-elementary-reaction-diffusion-model-2304.06174</loc><lastmod>2023-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-transition-state-generation-with-an-object-aware-equivariant-elementary-reaction-diffusion-model-2304.06174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-transition-state-generation-with-an-object-aware-equivariant-elementary-reaction-diffusion-model-2304.06174"/></url>
<url><loc>https://scifaro.com/en/abs/to-measure-in-plane-conductivity-of-nafion-membrane-with-general-electrochemical-approach-2304.06387</loc><lastmod>2023-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/to-measure-in-plane-conductivity-of-nafion-membrane-with-general-electrochemical-approach-2304.06387"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/to-measure-in-plane-conductivity-of-nafion-membrane-with-general-electrochemical-approach-2304.06387"/></url>
<url><loc>https://scifaro.com/en/abs/transition-moments-for-steom-ccsd-with-core-triples-2304.06583</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transition-moments-for-steom-ccsd-with-core-triples-2304.06583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transition-moments-for-steom-ccsd-with-core-triples-2304.06583"/></url>
<url><loc>https://scifaro.com/en/abs/pursuing-colloidal-diamond-2304.06647</loc><lastmod>2024-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pursuing-colloidal-diamond-2304.06647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pursuing-colloidal-diamond-2304.06647"/></url>
<url><loc>https://scifaro.com/en/abs/a-femtosecond-time-resolved-view-of-vibrationally-assisted-electron-transfer-across-the-metal-aqueous-interface-2304.06684</loc><lastmod>2023-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-femtosecond-time-resolved-view-of-vibrationally-assisted-electron-transfer-across-the-metal-aqueous-interface-2304.06684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-femtosecond-time-resolved-view-of-vibrationally-assisted-electron-transfer-across-the-metal-aqueous-interface-2304.06684"/></url>
<url><loc>https://scifaro.com/en/abs/elucidating-the-role-of-prelithiation-in-si-based-anodes-for-interface-stabilization-2304.06817</loc><lastmod>2023-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elucidating-the-role-of-prelithiation-in-si-based-anodes-for-interface-stabilization-2304.06817"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elucidating-the-role-of-prelithiation-in-si-based-anodes-for-interface-stabilization-2304.06817"/></url>
<url><loc>https://scifaro.com/en/abs/xtc-an-efficient-treatment-of-three-body-interactions-in-transcorrelated-methods-2304.07006</loc><lastmod>2023-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/xtc-an-efficient-treatment-of-three-body-interactions-in-transcorrelated-methods-2304.07006"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/xtc-an-efficient-treatment-of-three-body-interactions-in-transcorrelated-methods-2304.07006"/></url>
<url><loc>https://scifaro.com/en/abs/universal-machine-learning-for-the-response-of-atomistic-systems-to-external-fields-2304.07712</loc><lastmod>2023-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-machine-learning-for-the-response-of-atomistic-systems-to-external-fields-2304.07712"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-machine-learning-for-the-response-of-atomistic-systems-to-external-fields-2304.07712"/></url>
<url><loc>https://scifaro.com/en/abs/three-body-potential-and-third-virial-coefficients-for-helium-including-relativistic-and-nuclear-motion-effects-2304.07887</loc><lastmod>2023-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/three-body-potential-and-third-virial-coefficients-for-helium-including-relativistic-and-nuclear-motion-effects-2304.07887"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/three-body-potential-and-third-virial-coefficients-for-helium-including-relativistic-and-nuclear-motion-effects-2304.07887"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-interference-enhances-the-performance-of-single-molecule-transistors-2304.08535</loc><lastmod>2023-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-interference-enhances-the-performance-of-single-molecule-transistors-2304.08535"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-interference-enhances-the-performance-of-single-molecule-transistors-2304.08535"/></url>
<url><loc>https://scifaro.com/en/abs/a-machine-learning-framework-for-quantifying-chemical-segregation-and-microstructural-features-in-atom-probe-tomography-data-2304.08761</loc><lastmod>2023-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-machine-learning-framework-for-quantifying-chemical-segregation-and-microstructural-features-in-atom-probe-tomography-data-2304.08761"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-machine-learning-framework-for-quantifying-chemical-segregation-and-microstructural-features-in-atom-probe-tomography-data-2304.08761"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-the-electronic-density-response-of-condensed-phase-systems-to-electric-field-perturbations-2304.09057</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-the-electronic-density-response-of-condensed-phase-systems-to-electric-field-perturbations-2304.09057"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-the-electronic-density-response-of-condensed-phase-systems-to-electric-field-perturbations-2304.09057"/></url>
<url><loc>https://scifaro.com/en/abs/chirality-induced-magnetization-of-magnetite-by-an-rna-precursor-2304.09095</loc><lastmod>2025-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chirality-induced-magnetization-of-magnetite-by-an-rna-precursor-2304.09095"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chirality-induced-magnetization-of-magnetite-by-an-rna-precursor-2304.09095"/></url>
<url><loc>https://scifaro.com/en/abs/using-diffusion-maps-to-analyze-reaction-dynamics-for-a-hydrogen-combustion-benchmark-dataset-2304.09296</loc><lastmod>2023-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-diffusion-maps-to-analyze-reaction-dynamics-for-a-hydrogen-combustion-benchmark-dataset-2304.09296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-diffusion-maps-to-analyze-reaction-dynamics-for-a-hydrogen-combustion-benchmark-dataset-2304.09296"/></url>
<url><loc>https://scifaro.com/en/abs/intermolecular-ct-excitons-enable-nanosecond-excited-state-lifetimes-in-nir-absorbing-non-fullerene-acceptors-for-efficient-organic-solar-cells-2304.09408</loc><lastmod>2023-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intermolecular-ct-excitons-enable-nanosecond-excited-state-lifetimes-in-nir-absorbing-non-fullerene-acceptors-for-efficient-organic-solar-cells-2304.09408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intermolecular-ct-excitons-enable-nanosecond-excited-state-lifetimes-in-nir-absorbing-non-fullerene-acceptors-for-efficient-organic-solar-cells-2304.09408"/></url>
<url><loc>https://scifaro.com/en/abs/deepmd-kit-v2-a-software-package-for-deep-potential-models-2304.09409</loc><lastmod>2023-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deepmd-kit-v2-a-software-package-for-deep-potential-models-2304.09409"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deepmd-kit-v2-a-software-package-for-deep-potential-models-2304.09409"/></url>
<url><loc>https://scifaro.com/en/abs/optimized-basis-sets-for-dmrg-calculations-of-quantum-chains-of-rotating-water-molecules-2304.09410</loc><lastmod>2023-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimized-basis-sets-for-dmrg-calculations-of-quantum-chains-of-rotating-water-molecules-2304.09410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimized-basis-sets-for-dmrg-calculations-of-quantum-chains-of-rotating-water-molecules-2304.09410"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-singlet-fission-in-carotenoid-dimers-2304.10404</loc><lastmod>2023-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-singlet-fission-in-carotenoid-dimers-2304.10404"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-singlet-fission-in-carotenoid-dimers-2304.10404"/></url>
<url><loc>https://scifaro.com/en/abs/entropy-and-energy-profiles-of-chemical-reactions-2304.10676</loc><lastmod>2023-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entropy-and-energy-profiles-of-chemical-reactions-2304.10676"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entropy-and-energy-profiles-of-chemical-reactions-2304.10676"/></url>
<url><loc>https://scifaro.com/en/abs/effective-local-potentials-for-density-and-density-matrix-functional-approximations-with-non-negative-screening-density-2304.10875</loc><lastmod>2023-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effective-local-potentials-for-density-and-density-matrix-functional-approximations-with-non-negative-screening-density-2304.10875"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effective-local-potentials-for-density-and-density-matrix-functional-approximations-with-non-negative-screening-density-2304.10875"/></url>
<url><loc>https://scifaro.com/en/abs/perturbatively-corrected-ring-polymer-instanton-theory-for-accurate-tunneling-splittings-2304.10963</loc><lastmod>2023-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perturbatively-corrected-ring-polymer-instanton-theory-for-accurate-tunneling-splittings-2304.10963"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perturbatively-corrected-ring-polymer-instanton-theory-for-accurate-tunneling-splittings-2304.10963"/></url>
<url><loc>https://scifaro.com/en/abs/research-on-the-transition-dynamics-and-linear-nonlinear-optical-properties-of-mcherry-2304.11047</loc><lastmod>2023-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/research-on-the-transition-dynamics-and-linear-nonlinear-optical-properties-of-mcherry-2304.11047"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/research-on-the-transition-dynamics-and-linear-nonlinear-optical-properties-of-mcherry-2304.11047"/></url>
<url><loc>https://scifaro.com/en/abs/f-12-density-matrices-and-cumulants-from-the-explicitly-connected-coupled-cluster-theory-2304.11583</loc><lastmod>2023-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/f-12-density-matrices-and-cumulants-from-the-explicitly-connected-coupled-cluster-theory-2304.11583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/f-12-density-matrices-and-cumulants-from-the-explicitly-connected-coupled-cluster-theory-2304.11583"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-and-numerical-comparison-of-quantum-and-classical-embedding-models-for-optical-spectra-2304.11682</loc><lastmod>2023-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-and-numerical-comparison-of-quantum-and-classical-embedding-models-for-optical-spectra-2304.11682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-and-numerical-comparison-of-quantum-and-classical-embedding-models-for-optical-spectra-2304.11682"/></url>
<url><loc>https://scifaro.com/en/abs/convex-envelope-method-for-determining-liquid-multi-phase-equilibria-in-systems-with-arbitrary-number-of-components-2304.12025</loc><lastmod>2023-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/convex-envelope-method-for-determining-liquid-multi-phase-equilibria-in-systems-with-arbitrary-number-of-components-2304.12025"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/convex-envelope-method-for-determining-liquid-multi-phase-equilibria-in-systems-with-arbitrary-number-of-components-2304.12025"/></url>
<url><loc>https://scifaro.com/en/abs/on-using-non-kekule-triangular-graphene-quantum-dots-for-scavenging-hazardous-sulfur-hexafluoride-components-2304.12170</loc><lastmod>2023-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-using-non-kekule-triangular-graphene-quantum-dots-for-scavenging-hazardous-sulfur-hexafluoride-components-2304.12170"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-using-non-kekule-triangular-graphene-quantum-dots-for-scavenging-hazardous-sulfur-hexafluoride-components-2304.12170"/></url>
<url><loc>https://scifaro.com/en/abs/a-framework-for-combustion-chemistry-acceleration-with-deeponets-2304.12188</loc><lastmod>2023-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-framework-for-combustion-chemistry-acceleration-with-deeponets-2304.12188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-framework-for-combustion-chemistry-acceleration-with-deeponets-2304.12188"/></url>
<url><loc>https://scifaro.com/en/abs/diffusion-based-generative-ai-for-exploring-transition-states-from-2d-molecular-graphs-2304.12233</loc><lastmod>2023-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffusion-based-generative-ai-for-exploring-transition-states-from-2d-molecular-graphs-2304.12233"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffusion-based-generative-ai-for-exploring-transition-states-from-2d-molecular-graphs-2304.12233"/></url>
<url><loc>https://scifaro.com/en/abs/equilibrium-molecular-dynamics-evaluation-of-the-solid-liquid-friction-coefficient-role-of-timescales-2304.12471</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equilibrium-molecular-dynamics-evaluation-of-the-solid-liquid-friction-coefficient-role-of-timescales-2304.12471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equilibrium-molecular-dynamics-evaluation-of-the-solid-liquid-friction-coefficient-role-of-timescales-2304.12471"/></url>
<url><loc>https://scifaro.com/en/abs/linear-scaling-quantum-circuits-for-computational-chemistry-2304.12870</loc><lastmod>2023-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-scaling-quantum-circuits-for-computational-chemistry-2304.12870"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-scaling-quantum-circuits-for-computational-chemistry-2304.12870"/></url>
<url><loc>https://scifaro.com/en/abs/the-li-caf-to-ca-lif-chemical-reaction-under-cold-conditions-2304.12927</loc><lastmod>2023-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-li-caf-to-ca-lif-chemical-reaction-under-cold-conditions-2304.12927"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-li-caf-to-ca-lif-chemical-reaction-under-cold-conditions-2304.12927"/></url>
<url><loc>https://scifaro.com/en/abs/physnet-meets-charmm-a-framework-for-routine-machine-learning-molecular-mechanics-simulations-2304.12973</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physnet-meets-charmm-a-framework-for-routine-machine-learning-molecular-mechanics-simulations-2304.12973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physnet-meets-charmm-a-framework-for-routine-machine-learning-molecular-mechanics-simulations-2304.12973"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-mechanism-of-polaritonic-rate-suppression-from-quantum-transition-paths-2304.13024</loc><lastmod>2023-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-mechanism-of-polaritonic-rate-suppression-from-quantum-transition-paths-2304.13024"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-mechanism-of-polaritonic-rate-suppression-from-quantum-transition-paths-2304.13024"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-the-coherent-propagation-of-organic-exciton-polaritons-through-the-cavity-q-factor-2304.13123</loc><lastmod>2024-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-the-coherent-propagation-of-organic-exciton-polaritons-through-the-cavity-q-factor-2304.13123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-the-coherent-propagation-of-organic-exciton-polaritons-through-the-cavity-q-factor-2304.13123"/></url>
<url><loc>https://scifaro.com/en/abs/gw-density-matrix-to-estimate-self-consistent-gw-total-energy-in-solids-2304.13296</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gw-density-matrix-to-estimate-self-consistent-gw-total-energy-in-solids-2304.13296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gw-density-matrix-to-estimate-self-consistent-gw-total-energy-in-solids-2304.13296"/></url>
<url><loc>https://scifaro.com/en/abs/coordinate-descent-full-configuration-interaction-for-excited-states-2304.13380</loc><lastmod>2023-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coordinate-descent-full-configuration-interaction-for-excited-states-2304.13380"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coordinate-descent-full-configuration-interaction-for-excited-states-2304.13380"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-molecular-spectroscopy-of-actinide-compounds-the-tho-molecule-2304.13435</loc><lastmod>2024-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-molecular-spectroscopy-of-actinide-compounds-the-tho-molecule-2304.13435"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-molecular-spectroscopy-of-actinide-compounds-the-tho-molecule-2304.13435"/></url>
<url><loc>https://scifaro.com/en/abs/long-short-range-message-passing-a-physics-informed-framework-to-capture-non-local-interaction-for-scalable-molecular-dynamics-simulation-2304.13542</loc><lastmod>2024-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-short-range-message-passing-a-physics-informed-framework-to-capture-non-local-interaction-for-scalable-molecular-dynamics-simulation-2304.13542"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-short-range-message-passing-a-physics-informed-framework-to-capture-non-local-interaction-for-scalable-molecular-dynamics-simulation-2304.13542"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-coupling-as-friction-in-the-formation-of-h3-a-classical-mechanical-study-2304.13730</loc><lastmod>2023-04-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-coupling-as-friction-in-the-formation-of-h3-a-classical-mechanical-study-2304.13730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-coupling-as-friction-in-the-formation-of-h3-a-classical-mechanical-study-2304.13730"/></url>
<url><loc>https://scifaro.com/en/abs/robust-formulation-of-wick-s-theorem-for-computing-matrix-elements-between-hartree-fock-bogoliubov-wavefunctions-2304.13780</loc><lastmod>2023-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-formulation-of-wick-s-theorem-for-computing-matrix-elements-between-hartree-fock-bogoliubov-wavefunctions-2304.13780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-formulation-of-wick-s-theorem-for-computing-matrix-elements-between-hartree-fock-bogoliubov-wavefunctions-2304.13780"/></url>
<url><loc>https://scifaro.com/en/abs/phaseless-auxiliary-field-quantum-monte-carlo-with-projector-augmented-wave-method-for-solids-2304.14029</loc><lastmod>2023-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phaseless-auxiliary-field-quantum-monte-carlo-with-projector-augmented-wave-method-for-solids-2304.14029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phaseless-auxiliary-field-quantum-monte-carlo-with-projector-augmented-wave-method-for-solids-2304.14029"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-an-ereaxff-force-field-for-bzy20-solid-oxide-electrocatalysis-2304.14256</loc><lastmod>2024-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-an-ereaxff-force-field-for-bzy20-solid-oxide-electrocatalysis-2304.14256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-an-ereaxff-force-field-for-bzy20-solid-oxide-electrocatalysis-2304.14256"/></url>
<url><loc>https://scifaro.com/en/abs/the-three-kingdoms-photoinduced-electron-transfer-cascades-controlled-by-electronic-couplings-2304.14261</loc><lastmod>2023-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-three-kingdoms-photoinduced-electron-transfer-cascades-controlled-by-electronic-couplings-2304.14261"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-three-kingdoms-photoinduced-electron-transfer-cascades-controlled-by-electronic-couplings-2304.14261"/></url>
<url><loc>https://scifaro.com/en/abs/the-relationship-between-structure-and-excited-state-properties-in-polyanilines-from-geminal-based-methods-2304.14547</loc><lastmod>2024-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-relationship-between-structure-and-excited-state-properties-in-polyanilines-from-geminal-based-methods-2304.14547"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-relationship-between-structure-and-excited-state-properties-in-polyanilines-from-geminal-based-methods-2304.14547"/></url>
<url><loc>https://scifaro.com/en/abs/robust-gaussian-process-regression-method-for-efficient-reaction-pathway-optimization-application-to-surface-processes-2304.14596</loc><lastmod>2023-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-gaussian-process-regression-method-for-efficient-reaction-pathway-optimization-application-to-surface-processes-2304.14596"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-gaussian-process-regression-method-for-efficient-reaction-pathway-optimization-application-to-surface-processes-2304.14596"/></url>
<url><loc>https://scifaro.com/en/abs/thermophysical-properties-of-argon-gas-from-improved-two-body-interaction-potential-2304.14719</loc><lastmod>2024-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermophysical-properties-of-argon-gas-from-improved-two-body-interaction-potential-2304.14719"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermophysical-properties-of-argon-gas-from-improved-two-body-interaction-potential-2304.14719"/></url>
<url><loc>https://scifaro.com/en/abs/a-unified-density-matrix-functional-construction-of-quantum-baths-in-density-matrix-embedding-theory-beyond-the-mean-field-approximation-2304.14729</loc><lastmod>2023-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-unified-density-matrix-functional-construction-of-quantum-baths-in-density-matrix-embedding-theory-beyond-the-mean-field-approximation-2304.14729"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-unified-density-matrix-functional-construction-of-quantum-baths-in-density-matrix-embedding-theory-beyond-the-mean-field-approximation-2304.14729"/></url>
<url><loc>https://scifaro.com/en/abs/benchmarking-ionization-potentials-from-the-simple-pccd-model-2304.14810</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-ionization-potentials-from-the-simple-pccd-model-2304.14810"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-ionization-potentials-from-the-simple-pccd-model-2304.14810"/></url>
<url><loc>https://scifaro.com/en/abs/shape-resonance-induced-electron-attachment-to-cytosine-the-effect-of-aqueous-media-2305.00012</loc><lastmod>2023-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/shape-resonance-induced-electron-attachment-to-cytosine-the-effect-of-aqueous-media-2305.00012"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/shape-resonance-induced-electron-attachment-to-cytosine-the-effect-of-aqueous-media-2305.00012"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-eigenvector-continuation-for-chemistry-applications-2305.00060</loc><lastmod>2023-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-eigenvector-continuation-for-chemistry-applications-2305.00060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-eigenvector-continuation-for-chemistry-applications-2305.00060"/></url>
<url><loc>https://scifaro.com/en/abs/linear-scaling-calculations-of-excitation-energies-with-active-space-particle-particle-random-phase-approximation-2305.00369</loc><lastmod>2023-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-scaling-calculations-of-excitation-energies-with-active-space-particle-particle-random-phase-approximation-2305.00369"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-scaling-calculations-of-excitation-energies-with-active-space-particle-particle-random-phase-approximation-2305.00369"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-equilibrium-under-vibrational-strong-coupling-2305.00373</loc><lastmod>2023-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-equilibrium-under-vibrational-strong-coupling-2305.00373"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-equilibrium-under-vibrational-strong-coupling-2305.00373"/></url>
<url><loc>https://scifaro.com/en/abs/mixed-quantum-classical-theory-for-rotational-energy-exchange-in-symmetric-top-rotor-linear-rotor-collisions-and-a-case-study-of-rm-nd-3-rm-d-2-system-2305.00548</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixed-quantum-classical-theory-for-rotational-energy-exchange-in-symmetric-top-rotor-linear-rotor-collisions-and-a-case-study-of-rm-nd-3-rm-d-2-system-2305.00548"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixed-quantum-classical-theory-for-rotational-energy-exchange-in-symmetric-top-rotor-linear-rotor-collisions-and-a-case-study-of-rm-nd-3-rm-d-2-system-2305.00548"/></url>
<url><loc>https://scifaro.com/en/abs/electron-transfer-at-electrode-interfaces-via-a-straightforward-quasiclassical-fermionic-mapping-approach-2305.01027</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-transfer-at-electrode-interfaces-via-a-straightforward-quasiclassical-fermionic-mapping-approach-2305.01027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-transfer-at-electrode-interfaces-via-a-straightforward-quasiclassical-fermionic-mapping-approach-2305.01027"/></url>
<url><loc>https://scifaro.com/en/abs/unitary-coupled-cluster-seizing-the-quantum-moment-2305.01097</loc><lastmod>2023-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unitary-coupled-cluster-seizing-the-quantum-moment-2305.01097"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unitary-coupled-cluster-seizing-the-quantum-moment-2305.01097"/></url>
<url><loc>https://scifaro.com/en/abs/simple-computation-of-the-multiexp-gaussian-quadrature-in-double-precision-2305.01621</loc><lastmod>2023-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-computation-of-the-multiexp-gaussian-quadrature-in-double-precision-2305.01621"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-computation-of-the-multiexp-gaussian-quadrature-in-double-precision-2305.01621"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-strong-coupling-in-liquid-water-from-cavity-molecular-dynamics-2305.02711</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-strong-coupling-in-liquid-water-from-cavity-molecular-dynamics-2305.02711"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-strong-coupling-in-liquid-water-from-cavity-molecular-dynamics-2305.02711"/></url>
<url><loc>https://scifaro.com/en/abs/enantiodetection-via-the-2d-spectroscopy-extending-the-methodology-to-general-experimental-conditions-2305.02916</loc><lastmod>2023-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enantiodetection-via-the-2d-spectroscopy-extending-the-methodology-to-general-experimental-conditions-2305.02916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enantiodetection-via-the-2d-spectroscopy-extending-the-methodology-to-general-experimental-conditions-2305.02916"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-simulation-from-modern-statistics-continuous-time-continuous-space-exact-2305.02979</loc><lastmod>2024-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-simulation-from-modern-statistics-continuous-time-continuous-space-exact-2305.02979"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-simulation-from-modern-statistics-continuous-time-continuous-space-exact-2305.02979"/></url>
<url><loc>https://scifaro.com/en/abs/how-crystalline-is-low-density-amorphous-ice-2305.03057</loc><lastmod>2024-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-crystalline-is-low-density-amorphous-ice-2305.03057"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-crystalline-is-low-density-amorphous-ice-2305.03057"/></url>
<url><loc>https://scifaro.com/en/abs/the-trialkylsulfonium-cation-holds-promise-to-capture-carbon-dioxide-in-silico-evidence-toward-a-novel-carbon-dioxide-scavenger-2305.03083</loc><lastmod>2023-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-trialkylsulfonium-cation-holds-promise-to-capture-carbon-dioxide-in-silico-evidence-toward-a-novel-carbon-dioxide-scavenger-2305.03083"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-trialkylsulfonium-cation-holds-promise-to-capture-carbon-dioxide-in-silico-evidence-toward-a-novel-carbon-dioxide-scavenger-2305.03083"/></url>
<url><loc>https://scifaro.com/en/abs/learning-optimal-forms-of-constitutive-relations-characterizing-ion-intercalation-from-data-in-mathematical-models-of-lithium-ion-batteries-2305.03185</loc><lastmod>2024-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-optimal-forms-of-constitutive-relations-characterizing-ion-intercalation-from-data-in-mathematical-models-of-lithium-ion-batteries-2305.03185"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-optimal-forms-of-constitutive-relations-characterizing-ion-intercalation-from-data-in-mathematical-models-of-lithium-ion-batteries-2305.03185"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-charge-and-solvation-shell-on-non-radiative-decay-processes-in-s-block-cationic-metal-ion-water-clusters-2305.03298</loc><lastmod>2023-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-charge-and-solvation-shell-on-non-radiative-decay-processes-in-s-block-cationic-metal-ion-water-clusters-2305.03298"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-charge-and-solvation-shell-on-non-radiative-decay-processes-in-s-block-cationic-metal-ion-water-clusters-2305.03298"/></url>
<url><loc>https://scifaro.com/en/abs/polaritonic-response-theory-for-exact-and-approximate-wave-functions-2305.03477</loc><lastmod>2023-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polaritonic-response-theory-for-exact-and-approximate-wave-functions-2305.03477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polaritonic-response-theory-for-exact-and-approximate-wave-functions-2305.03477"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-treatment-of-relativistic-effects-with-periodic-density-functional-methods-energies-gradients-and-stress-tensors-2305.03817</loc><lastmod>2024-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-treatment-of-relativistic-effects-with-periodic-density-functional-methods-energies-gradients-and-stress-tensors-2305.03817"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-treatment-of-relativistic-effects-with-periodic-density-functional-methods-energies-gradients-and-stress-tensors-2305.03817"/></url>
<url><loc>https://scifaro.com/en/abs/core-excited-states-and-x-ray-absorption-spectra-from-multireference-algebraic-diagrammatic-construction-theory-2305.03836</loc><lastmod>2024-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/core-excited-states-and-x-ray-absorption-spectra-from-multireference-algebraic-diagrammatic-construction-theory-2305.03836"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/core-excited-states-and-x-ray-absorption-spectra-from-multireference-algebraic-diagrammatic-construction-theory-2305.03836"/></url>
<url><loc>https://scifaro.com/en/abs/surface-characterisation-of-template-synthesised-multi-walled-carbon-nanotubes-2305.05232</loc><lastmod>2023-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-characterisation-of-template-synthesised-multi-walled-carbon-nanotubes-2305.05232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-characterisation-of-template-synthesised-multi-walled-carbon-nanotubes-2305.05232"/></url>
<url><loc>https://scifaro.com/en/abs/coarse-grained-versus-fully-atomistic-machine-learning-for-zeolitic-imidazolate-frameworks-2305.05536</loc><lastmod>2023-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coarse-grained-versus-fully-atomistic-machine-learning-for-zeolitic-imidazolate-frameworks-2305.05536"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coarse-grained-versus-fully-atomistic-machine-learning-for-zeolitic-imidazolate-frameworks-2305.05536"/></url>
<url><loc>https://scifaro.com/en/abs/reactions-of-acetonitrile-with-trapped-translationally-cold-acetylene-cations-2305.05723</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactions-of-acetonitrile-with-trapped-translationally-cold-acetylene-cations-2305.05723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactions-of-acetonitrile-with-trapped-translationally-cold-acetylene-cations-2305.05723"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-equation-of-motion-coupled-cluster-simulations-with-a-defective-hamiltonian-2305.06412</loc><lastmod>2023-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-equation-of-motion-coupled-cluster-simulations-with-a-defective-hamiltonian-2305.06412"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-equation-of-motion-coupled-cluster-simulations-with-a-defective-hamiltonian-2305.06412"/></url>
<url><loc>https://scifaro.com/en/abs/n-representability-violations-in-truncated-equation-of-motion-coupled-cluster-methods-2305.06457</loc><lastmod>2023-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/n-representability-violations-in-truncated-equation-of-motion-coupled-cluster-methods-2305.06457"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/n-representability-violations-in-truncated-equation-of-motion-coupled-cluster-methods-2305.06457"/></url>
<url><loc>https://scifaro.com/en/abs/multiconfigurational-quantum-chemistry-the-caspt2-method-2305.06678</loc><lastmod>2023-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiconfigurational-quantum-chemistry-the-caspt2-method-2305.06678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiconfigurational-quantum-chemistry-the-caspt2-method-2305.06678"/></url>
<url><loc>https://scifaro.com/en/abs/a-nanocar-and-rotor-in-one-molecule-2305.06791</loc><lastmod>2023-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-nanocar-and-rotor-in-one-molecule-2305.06791"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-nanocar-and-rotor-in-one-molecule-2305.06791"/></url>
<url><loc>https://scifaro.com/en/abs/strengths-and-limitations-of-the-adiabatic-exact-exchange-kernel-for-total-energy-calculations-2305.06885</loc><lastmod>2023-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strengths-and-limitations-of-the-adiabatic-exact-exchange-kernel-for-total-energy-calculations-2305.06885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strengths-and-limitations-of-the-adiabatic-exact-exchange-kernel-for-total-energy-calculations-2305.06885"/></url>
<url><loc>https://scifaro.com/en/abs/hammett-inspired-product-baseline-for-data-efficient-delta-ml-in-chemical-space-2305.07010</loc><lastmod>2025-05-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hammett-inspired-product-baseline-for-data-efficient-delta-ml-in-chemical-space-2305.07010"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hammett-inspired-product-baseline-for-data-efficient-delta-ml-in-chemical-space-2305.07010"/></url>
<url><loc>https://scifaro.com/en/abs/multireference-protonation-energetics-of-a-dimeric-model-of-nitrogenase-iron-sulfur-clusters-2305.07227</loc><lastmod>2023-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multireference-protonation-energetics-of-a-dimeric-model-of-nitrogenase-iron-sulfur-clusters-2305.07227"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multireference-protonation-energetics-of-a-dimeric-model-of-nitrogenase-iron-sulfur-clusters-2305.07227"/></url>
<url><loc>https://scifaro.com/en/abs/how-quantum-is-the-resonance-behavior-in-vibrational-polariton-chemistry-2305.07296</loc><lastmod>2023-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-quantum-is-the-resonance-behavior-in-vibrational-polariton-chemistry-2305.07296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-quantum-is-the-resonance-behavior-in-vibrational-polariton-chemistry-2305.07296"/></url>
<url><loc>https://scifaro.com/en/abs/steady-state-effects-introduced-by-local-relaxation-modes-on-j-driven-dnp-enhanced-nmr-2305.07462</loc><lastmod>2023-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steady-state-effects-introduced-by-local-relaxation-modes-on-j-driven-dnp-enhanced-nmr-2305.07462"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steady-state-effects-introduced-by-local-relaxation-modes-on-j-driven-dnp-enhanced-nmr-2305.07462"/></url>
<url><loc>https://scifaro.com/en/abs/approximate-exponential-integrators-for-time-dependent-equation-of-motion-coupled-cluster-theory-2305.07592</loc><lastmod>2023-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximate-exponential-integrators-for-time-dependent-equation-of-motion-coupled-cluster-theory-2305.07592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximate-exponential-integrators-for-time-dependent-equation-of-motion-coupled-cluster-theory-2305.07592"/></url>
<url><loc>https://scifaro.com/en/abs/hf-trimer-12d-fully-coupled-quantum-calculations-of-hf-stretch-excited-intramolecular-and-intermolecular-vibrational-states-using-contracted-bases-of-intramolecular-and-intermolecular-eigenstates-2305.07629</loc><lastmod>2023-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hf-trimer-12d-fully-coupled-quantum-calculations-of-hf-stretch-excited-intramolecular-and-intermolecular-vibrational-states-using-contracted-bases-of-intramolecular-and-intermolecular-eigenstates-2305.07629"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hf-trimer-12d-fully-coupled-quantum-calculations-of-hf-stretch-excited-intramolecular-and-intermolecular-vibrational-states-using-contracted-bases-of-intramolecular-and-intermolecular-eigenstates-2305.07629"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dynamics-of-photoactive-transition-metal-complexes-a-case-study-of-model-reduction-2305.07682</loc><lastmod>2023-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamics-of-photoactive-transition-metal-complexes-a-case-study-of-model-reduction-2305.07682"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamics-of-photoactive-transition-metal-complexes-a-case-study-of-model-reduction-2305.07682"/></url>
<url><loc>https://scifaro.com/en/abs/dft-u-type-strong-correlation-functional-derived-from-multiconfigurational-wavefunction-theory-2305.07736</loc><lastmod>2023-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dft-u-type-strong-correlation-functional-derived-from-multiconfigurational-wavefunction-theory-2305.07736"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dft-u-type-strong-correlation-functional-derived-from-multiconfigurational-wavefunction-theory-2305.07736"/></url>
<url><loc>https://scifaro.com/en/abs/reproducing-reaction-route-map-on-the-shape-space-from-its-quotient-by-complete-nuclear-permutation-inversion-group-2305.08072</loc><lastmod>2023-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reproducing-reaction-route-map-on-the-shape-space-from-its-quotient-by-complete-nuclear-permutation-inversion-group-2305.08072"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reproducing-reaction-route-map-on-the-shape-space-from-its-quotient-by-complete-nuclear-permutation-inversion-group-2305.08072"/></url>
<url><loc>https://scifaro.com/en/abs/an-ab-initio-correction-vector-restricted-active-space-approach-to-the-l-edge-xas-and-2p3d-rixs-spectra-of-transition-metal-clusters-2305.08184</loc><lastmod>2023-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-ab-initio-correction-vector-restricted-active-space-approach-to-the-l-edge-xas-and-2p3d-rixs-spectra-of-transition-metal-clusters-2305.08184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-ab-initio-correction-vector-restricted-active-space-approach-to-the-l-edge-xas-and-2p3d-rixs-spectra-of-transition-metal-clusters-2305.08184"/></url>
<url><loc>https://scifaro.com/en/abs/a-photo-mechanical-coupling-theory-for-photoisomerization-hydrogel-considering-the-distribution-state-of-molecular-chains-2305.08370</loc><lastmod>2023-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-photo-mechanical-coupling-theory-for-photoisomerization-hydrogel-considering-the-distribution-state-of-molecular-chains-2305.08370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-photo-mechanical-coupling-theory-for-photoisomerization-hydrogel-considering-the-distribution-state-of-molecular-chains-2305.08370"/></url>
<url><loc>https://scifaro.com/en/abs/a-multi-state-mapping-approach-to-surface-hopping-2305.08835</loc><lastmod>2024-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-multi-state-mapping-approach-to-surface-hopping-2305.08835"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-multi-state-mapping-approach-to-surface-hopping-2305.08835"/></url>
<url><loc>https://scifaro.com/en/abs/maximum-propagation-speed-and-cherenkov-effect-in-optical-phonon-transport-through-periodic-molecular-chains-2305.08972</loc><lastmod>2023-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/maximum-propagation-speed-and-cherenkov-effect-in-optical-phonon-transport-through-periodic-molecular-chains-2305.08972"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/maximum-propagation-speed-and-cherenkov-effect-in-optical-phonon-transport-through-periodic-molecular-chains-2305.08972"/></url>
<url><loc>https://scifaro.com/en/abs/orientation-dependent-etching-of-silicon-by-fluorine-molecules-a-quantum-chemistry-computational-study-2305.09037</loc><lastmod>2023-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orientation-dependent-etching-of-silicon-by-fluorine-molecules-a-quantum-chemistry-computational-study-2305.09037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orientation-dependent-etching-of-silicon-by-fluorine-molecules-a-quantum-chemistry-computational-study-2305.09037"/></url>
<url><loc>https://scifaro.com/en/abs/fully-first-principles-surface-spectroscopy-with-machine-learning-2305.09321</loc><lastmod>2023-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fully-first-principles-surface-spectroscopy-with-machine-learning-2305.09321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fully-first-principles-surface-spectroscopy-with-machine-learning-2305.09321"/></url>
<url><loc>https://scifaro.com/en/abs/cavity-click-chemistry-cavity-catalyzed-azide-alkyne-cycloaddition-2305.09496</loc><lastmod>2023-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cavity-click-chemistry-cavity-catalyzed-azide-alkyne-cycloaddition-2305.09496"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cavity-click-chemistry-cavity-catalyzed-azide-alkyne-cycloaddition-2305.09496"/></url>
<url><loc>https://scifaro.com/en/abs/m-o-ller-plesset-and-density-fixed-adiabatic-connections-for-a-model-diatomic-system-at-different-correlation-regimes-2305.09591</loc><lastmod>2023-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/m-o-ller-plesset-and-density-fixed-adiabatic-connections-for-a-model-diatomic-system-at-different-correlation-regimes-2305.09591"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/m-o-ller-plesset-and-density-fixed-adiabatic-connections-for-a-model-diatomic-system-at-different-correlation-regimes-2305.09591"/></url>
<url><loc>https://scifaro.com/en/abs/riemannian-trust-region-method-for-minimization-of-fourth-central-moment-for-localized-molecular-orbitals-2305.09791</loc><lastmod>2023-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/riemannian-trust-region-method-for-minimization-of-fourth-central-moment-for-localized-molecular-orbitals-2305.09791"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/riemannian-trust-region-method-for-minimization-of-fourth-central-moment-for-localized-molecular-orbitals-2305.09791"/></url>
<url><loc>https://scifaro.com/en/abs/low-data-deep-quantum-chemical-learning-for-accurate-mp2-and-coupled-cluster-correlations-2305.09920</loc><lastmod>2023-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-data-deep-quantum-chemical-learning-for-accurate-mp2-and-coupled-cluster-correlations-2305.09920"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-data-deep-quantum-chemical-learning-for-accurate-mp2-and-coupled-cluster-correlations-2305.09920"/></url>
<url><loc>https://scifaro.com/en/abs/self-interaction-and-transport-of-solvated-electrons-in-molten-salts-2305.10052</loc><lastmod>2023-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-interaction-and-transport-of-solvated-electrons-in-molten-salts-2305.10052"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-interaction-and-transport-of-solvated-electrons-in-molten-salts-2305.10052"/></url>
<url><loc>https://scifaro.com/en/abs/manipulation-of-charge-delocalization-in-a-bulk-heterojunction-material-using-a-mid-infrared-push-pulse-2305.10128</loc><lastmod>2023-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/manipulation-of-charge-delocalization-in-a-bulk-heterojunction-material-using-a-mid-infrared-push-pulse-2305.10128"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/manipulation-of-charge-delocalization-in-a-bulk-heterojunction-material-using-a-mid-infrared-push-pulse-2305.10128"/></url>
<url><loc>https://scifaro.com/en/abs/interatomic-and-intermolecular-coulombic-decay-rates-from-equation-of-motion-coupled-cluster-theory-with-complex-basis-functions-2305.10186</loc><lastmod>2023-05-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interatomic-and-intermolecular-coulombic-decay-rates-from-equation-of-motion-coupled-cluster-theory-with-complex-basis-functions-2305.10186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interatomic-and-intermolecular-coulombic-decay-rates-from-equation-of-motion-coupled-cluster-theory-with-complex-basis-functions-2305.10186"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-fourth-generation-machine-learning-potentials-by-electrostatic-embedding-2305.10692</loc><lastmod>2023-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-fourth-generation-machine-learning-potentials-by-electrostatic-embedding-2305.10692"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-fourth-generation-machine-learning-potentials-by-electrostatic-embedding-2305.10692"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-interatomic-potentials-for-reactive-hydrogen-dynamics-at-metal-surfaces-based-on-iterative-refinement-of-reaction-probabilities-2305.10873</loc><lastmod>2023-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-interatomic-potentials-for-reactive-hydrogen-dynamics-at-metal-surfaces-based-on-iterative-refinement-of-reaction-probabilities-2305.10873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-interatomic-potentials-for-reactive-hydrogen-dynamics-at-metal-surfaces-based-on-iterative-refinement-of-reaction-probabilities-2305.10873"/></url>
<url><loc>https://scifaro.com/en/abs/exact-tunneling-splittings-from-symmetrized-path-integrals-2305.11002</loc><lastmod>2023-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-tunneling-splittings-from-symmetrized-path-integrals-2305.11002"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-tunneling-splittings-from-symmetrized-path-integrals-2305.11002"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-cavity-born-oppenheimer-on-non-adiabatic-coupling-and-effective-ground-state-hamiltonians-in-vibro-polaritonic-chemistry-2305.11153</loc><lastmod>2025-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-cavity-born-oppenheimer-on-non-adiabatic-coupling-and-effective-ground-state-hamiltonians-in-vibro-polaritonic-chemistry-2305.11153"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-cavity-born-oppenheimer-on-non-adiabatic-coupling-and-effective-ground-state-hamiltonians-in-vibro-polaritonic-chemistry-2305.11153"/></url>
<url><loc>https://scifaro.com/en/abs/multi-fidelity-machine-learning-for-excited-state-energies-of-molecules-2305.11292</loc><lastmod>2024-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-fidelity-machine-learning-for-excited-state-energies-of-molecules-2305.11292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-fidelity-machine-learning-for-excited-state-energies-of-molecules-2305.11292"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-evaluation-of-non-adiabatic-couplings-within-the-complex-absorbing-potential-equation-of-motion-coupled-cluster-method-2305.11724</loc><lastmod>2023-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-evaluation-of-non-adiabatic-couplings-within-the-complex-absorbing-potential-equation-of-motion-coupled-cluster-method-2305.11724"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-evaluation-of-non-adiabatic-couplings-within-the-complex-absorbing-potential-equation-of-motion-coupled-cluster-method-2305.11724"/></url>
<url><loc>https://scifaro.com/en/abs/data-driven-refinement-of-electronic-energies-from-two-electron-reduced-density-matrix-theory-2305.12061</loc><lastmod>2026-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/data-driven-refinement-of-electronic-energies-from-two-electron-reduced-density-matrix-theory-2305.12061"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/data-driven-refinement-of-electronic-energies-from-two-electron-reduced-density-matrix-theory-2305.12061"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-chemical-reactions-effects-of-electric-field-diffusion-and-boundary-control-2305.12165</loc><lastmod>2023-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-chemical-reactions-effects-of-electric-field-diffusion-and-boundary-control-2305.12165"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-chemical-reactions-effects-of-electric-field-diffusion-and-boundary-control-2305.12165"/></url>
<url><loc>https://scifaro.com/en/abs/corrosion-rates-under-charge-conservation-conditions-2305.12204</loc><lastmod>2023-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/corrosion-rates-under-charge-conservation-conditions-2305.12204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/corrosion-rates-under-charge-conservation-conditions-2305.12204"/></url>
<url><loc>https://scifaro.com/en/abs/stereo-electronic-factors-influencing-the-stability-of-hydroperoxyalkyl-radicals-transferability-of-chemical-trends-across-hydrocarbons-and-ab-initio-methods-2305.12706</loc><lastmod>2023-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stereo-electronic-factors-influencing-the-stability-of-hydroperoxyalkyl-radicals-transferability-of-chemical-trends-across-hydrocarbons-and-ab-initio-methods-2305.12706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stereo-electronic-factors-influencing-the-stability-of-hydroperoxyalkyl-radicals-transferability-of-chemical-trends-across-hydrocarbons-and-ab-initio-methods-2305.12706"/></url>
<url><loc>https://scifaro.com/en/abs/a-non-stochastic-optimization-algorithm-for-neural-network-quantum-states-2305.12776</loc><lastmod>2023-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-non-stochastic-optimization-algorithm-for-neural-network-quantum-states-2305.12776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-non-stochastic-optimization-algorithm-for-neural-network-quantum-states-2305.12776"/></url>
<url><loc>https://scifaro.com/en/abs/on-de-gennes-narrowing-of-fluids-confined-at-the-molecular-scale-in-nanoporous-materials-2305.12810</loc><lastmod>2023-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-de-gennes-narrowing-of-fluids-confined-at-the-molecular-scale-in-nanoporous-materials-2305.12810"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-de-gennes-narrowing-of-fluids-confined-at-the-molecular-scale-in-nanoporous-materials-2305.12810"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-framework-composition-and-nh3-on-the-diffusion-of-cu-in-cu-cha-catalysts-predicted-by-machine-learning-accelerated-molecular-dynamics-2305.12896</loc><lastmod>2023-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-framework-composition-and-nh3-on-the-diffusion-of-cu-in-cu-cha-catalysts-predicted-by-machine-learning-accelerated-molecular-dynamics-2305.12896"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-framework-composition-and-nh3-on-the-diffusion-of-cu-in-cu-cha-catalysts-predicted-by-machine-learning-accelerated-molecular-dynamics-2305.12896"/></url>
<url><loc>https://scifaro.com/en/abs/predictive-ability-comparison-of-different-versions-of-some-well-known-degree-dependent-topological-indices-2305.13260</loc><lastmod>2023-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predictive-ability-comparison-of-different-versions-of-some-well-known-degree-dependent-topological-indices-2305.13260"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predictive-ability-comparison-of-different-versions-of-some-well-known-degree-dependent-topological-indices-2305.13260"/></url>
<url><loc>https://scifaro.com/en/abs/3d-molecular-geometry-analysis-with-2d-graphs-2305.13315</loc><lastmod>2023-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/3d-molecular-geometry-analysis-with-2d-graphs-2305.13315"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/3d-molecular-geometry-analysis-with-2d-graphs-2305.13315"/></url>
<url><loc>https://scifaro.com/en/abs/kineticnet-deep-learning-a-transferable-kinetic-energy-functional-for-orbital-free-density-functional-theory-2305.13316</loc><lastmod>2023-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kineticnet-deep-learning-a-transferable-kinetic-energy-functional-for-orbital-free-density-functional-theory-2305.13316"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kineticnet-deep-learning-a-transferable-kinetic-energy-functional-for-orbital-free-density-functional-theory-2305.13316"/></url>
<url><loc>https://scifaro.com/en/abs/frustrated-hops-in-ring-polymer-surface-hopping-real-time-dynamics-and-detailed-balance-2305.13320</loc><lastmod>2025-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frustrated-hops-in-ring-polymer-surface-hopping-real-time-dynamics-and-detailed-balance-2305.13320"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frustrated-hops-in-ring-polymer-surface-hopping-real-time-dynamics-and-detailed-balance-2305.13320"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-electron-withdrawing-groups-on-ion-transport-and-structure-in-lithium-borate-ionic-liquids-2305.13473</loc><lastmod>2024-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-electron-withdrawing-groups-on-ion-transport-and-structure-in-lithium-borate-ionic-liquids-2305.13473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-electron-withdrawing-groups-on-ion-transport-and-structure-in-lithium-borate-ionic-liquids-2305.13473"/></url>
<url><loc>https://scifaro.com/en/abs/stretching-bonds-in-density-functional-theory-without-artificial-symmetry-breaking-2305.13545</loc><lastmod>2024-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stretching-bonds-in-density-functional-theory-without-artificial-symmetry-breaking-2305.13545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stretching-bonds-in-density-functional-theory-without-artificial-symmetry-breaking-2305.13545"/></url>
<url><loc>https://scifaro.com/en/abs/evaluation-of-the-mace-force-field-architecture-from-medicinal-chemistry-to-materials-science-2305.14247</loc><lastmod>2023-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaluation-of-the-mace-force-field-architecture-from-medicinal-chemistry-to-materials-science-2305.14247"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaluation-of-the-mace-force-field-architecture-from-medicinal-chemistry-to-materials-science-2305.14247"/></url>
<url><loc>https://scifaro.com/en/abs/exact-and-model-exchange-correlation-potentials-for-open-shell-systems-2305.15620</loc><lastmod>2024-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-and-model-exchange-correlation-potentials-for-open-shell-systems-2305.15620"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-and-model-exchange-correlation-potentials-for-open-shell-systems-2305.15620"/></url>
<url><loc>https://scifaro.com/en/abs/proton-collective-quantum-tunneling-induces-anomalous-thermal-conductivity-of-ice-under-pressure-2305.15713</loc><lastmod>2023-05-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/proton-collective-quantum-tunneling-induces-anomalous-thermal-conductivity-of-ice-under-pressure-2305.15713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/proton-collective-quantum-tunneling-induces-anomalous-thermal-conductivity-of-ice-under-pressure-2305.15713"/></url>
<url><loc>https://scifaro.com/en/abs/a-machine-learning-potential-for-simulating-infrared-spectra-of-nanosilicate-clusters-2305.15846</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-machine-learning-potential-for-simulating-infrared-spectra-of-nanosilicate-clusters-2305.15846"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-machine-learning-potential-for-simulating-infrared-spectra-of-nanosilicate-clusters-2305.15846"/></url>
<url><loc>https://scifaro.com/en/abs/the-real-space-correlation-function-of-gaussian-chain-in-spin-echo-small-angle-neutron-scattering-2305.15916</loc><lastmod>2023-05-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-real-space-correlation-function-of-gaussian-chain-in-spin-echo-small-angle-neutron-scattering-2305.15916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-real-space-correlation-function-of-gaussian-chain-in-spin-echo-small-angle-neutron-scattering-2305.15916"/></url>
<url><loc>https://scifaro.com/en/abs/dash-dynamic-attention-based-substructure-hierarchy-for-partial-charge-assignment-2305.15981</loc><lastmod>2023-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dash-dynamic-attention-based-substructure-hierarchy-for-partial-charge-assignment-2305.15981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dash-dynamic-attention-based-substructure-hierarchy-for-partial-charge-assignment-2305.15981"/></url>
<url><loc>https://scifaro.com/en/abs/graph-neural-network-interatomic-potential-ensembles-with-calibrated-aleatoric-and-epistemic-uncertainty-on-energy-and-forces-2305.16325</loc><lastmod>2023-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/graph-neural-network-interatomic-potential-ensembles-with-calibrated-aleatoric-and-epistemic-uncertainty-on-energy-and-forces-2305.16325"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/graph-neural-network-interatomic-potential-ensembles-with-calibrated-aleatoric-and-epistemic-uncertainty-on-energy-and-forces-2305.16325"/></url>
<url><loc>https://scifaro.com/en/abs/prompt-engineering-for-transformer-based-chemical-similarity-search-identifies-structurally-distinct-functional-analogues-2305.16330</loc><lastmod>2023-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prompt-engineering-for-transformer-based-chemical-similarity-search-identifies-structurally-distinct-functional-analogues-2305.16330"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prompt-engineering-for-transformer-based-chemical-similarity-search-identifies-structurally-distinct-functional-analogues-2305.16330"/></url>
<url><loc>https://scifaro.com/en/abs/low-and-high-frequency-vibrations-synergistically-enhance-singlet-exciton-fission-through-robust-vibronic-resonances-2305.16861</loc><lastmod>2023-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-and-high-frequency-vibrations-synergistically-enhance-singlet-exciton-fission-through-robust-vibronic-resonances-2305.16861"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-and-high-frequency-vibrations-synergistically-enhance-singlet-exciton-fission-through-robust-vibronic-resonances-2305.16861"/></url>
<url><loc>https://scifaro.com/en/abs/connections-and-performances-of-green-s-function-methods-for-charged-and-neutral-excitations-2305.16959</loc><lastmod>2023-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/connections-and-performances-of-green-s-function-methods-for-charged-and-neutral-excitations-2305.16959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/connections-and-performances-of-green-s-function-methods-for-charged-and-neutral-excitations-2305.16959"/></url>
<url><loc>https://scifaro.com/en/abs/elucidating-the-role-of-hydrogen-bonding-in-the-optical-spectroscopy-of-the-solvated-green-fluorescent-protein-chromophore-using-machine-learning-to-establish-the-importance-of-high-level-electronic-structure-2305.16981</loc><lastmod>2023-05-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elucidating-the-role-of-hydrogen-bonding-in-the-optical-spectroscopy-of-the-solvated-green-fluorescent-protein-chromophore-using-machine-learning-to-establish-the-importance-of-high-level-electronic-structure-2305.16981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elucidating-the-role-of-hydrogen-bonding-in-the-optical-spectroscopy-of-the-solvated-green-fluorescent-protein-chromophore-using-machine-learning-to-establish-the-importance-of-high-level-electronic-structure-2305.16981"/></url>
<url><loc>https://scifaro.com/en/abs/production-of-positronium-chloride-a-study-of-the-charge-exchange-reaction-between-ps-and-cl-2305.17078</loc><lastmod>2023-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/production-of-positronium-chloride-a-study-of-the-charge-exchange-reaction-between-ps-and-cl-2305.17078"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/production-of-positronium-chloride-a-study-of-the-charge-exchange-reaction-between-ps-and-cl-2305.17078"/></url>
<url><loc>https://scifaro.com/en/abs/basis-set-correction-based-on-density-functional-theory-linear-response-formalism-for-excited-state-energies-2305.17093</loc><lastmod>2023-07-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/basis-set-correction-based-on-density-functional-theory-linear-response-formalism-for-excited-state-energies-2305.17093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/basis-set-correction-based-on-density-functional-theory-linear-response-formalism-for-excited-state-energies-2305.17093"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-the-mechanism-of-tip-enhanced-molecular-energy-transfer-2305.17265</loc><lastmod>2024-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-the-mechanism-of-tip-enhanced-molecular-energy-transfer-2305.17265"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-the-mechanism-of-tip-enhanced-molecular-energy-transfer-2305.17265"/></url>
<url><loc>https://scifaro.com/en/abs/probing-reaction-channels-via-reinforcement-learning-2305.17531</loc><lastmod>2023-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-reaction-channels-via-reinforcement-learning-2305.17531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-reaction-channels-via-reinforcement-learning-2305.17531"/></url>
<url><loc>https://scifaro.com/en/abs/voltage-hysteresis-of-silicon-nanoparticles-chemo-mechanical-particle-sei-model-2305.17533</loc><lastmod>2024-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/voltage-hysteresis-of-silicon-nanoparticles-chemo-mechanical-particle-sei-model-2305.17533"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/voltage-hysteresis-of-silicon-nanoparticles-chemo-mechanical-particle-sei-model-2305.17533"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-neighbouring-molecules-on-ground-state-properties-of-many-body-polar-linear-rotor-systems-2305.17637</loc><lastmod>2023-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-neighbouring-molecules-on-ground-state-properties-of-many-body-polar-linear-rotor-systems-2305.17637"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-neighbouring-molecules-on-ground-state-properties-of-many-body-polar-linear-rotor-systems-2305.17637"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-mixed-quantum-classical-molecular-dynamics-methods-for-nonadiabatic-dynamics-of-molecules-on-metal-surfaces-2305.17944</loc><lastmod>2023-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-mixed-quantum-classical-molecular-dynamics-methods-for-nonadiabatic-dynamics-of-molecules-on-metal-surfaces-2305.17944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-mixed-quantum-classical-molecular-dynamics-methods-for-nonadiabatic-dynamics-of-molecules-on-metal-surfaces-2305.17944"/></url>
<url><loc>https://scifaro.com/en/abs/deep-electron-cloud-activity-and-field-activity-relationships-2305.17958</loc><lastmod>2023-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deep-electron-cloud-activity-and-field-activity-relationships-2305.17958"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deep-electron-cloud-activity-and-field-activity-relationships-2305.17958"/></url>
<url><loc>https://scifaro.com/en/abs/implicit-transfer-operator-learning-multiple-time-resolution-surrogates-for-molecular-dynamics-2305.18046</loc><lastmod>2023-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/implicit-transfer-operator-learning-multiple-time-resolution-surrogates-for-molecular-dynamics-2305.18046"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/implicit-transfer-operator-learning-multiple-time-resolution-surrogates-for-molecular-dynamics-2305.18046"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-dft-and-time-dependent-dft-study-of-the-chemical-and-physical-origins-of-key-photoproperties-of-end-group-derivatives-of-the-nonfullerene-bulk-heterojunction-organic-solar-cell-acceptor-molecule-idic-2305.18085</loc><lastmod>2023-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-dft-and-time-dependent-dft-study-of-the-chemical-and-physical-origins-of-key-photoproperties-of-end-group-derivatives-of-the-nonfullerene-bulk-heterojunction-organic-solar-cell-acceptor-molecule-idic-2305.18085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-dft-and-time-dependent-dft-study-of-the-chemical-and-physical-origins-of-key-photoproperties-of-end-group-derivatives-of-the-nonfullerene-bulk-heterojunction-organic-solar-cell-acceptor-molecule-idic-2305.18085"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-order-electrochemical-models-with-shape-functions-for-fast-accurate-prediction-of-lithium-ion-batteries-under-high-c-rates-2305.18133</loc><lastmod>2023-05-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-order-electrochemical-models-with-shape-functions-for-fast-accurate-prediction-of-lithium-ion-batteries-under-high-c-rates-2305.18133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-order-electrochemical-models-with-shape-functions-for-fast-accurate-prediction-of-lithium-ion-batteries-under-high-c-rates-2305.18133"/></url>
<url><loc>https://scifaro.com/en/abs/pubchemqc-b3lyp-6-31g-pm6-dataset-the-electronic-structures-of-86-million-molecules-using-b3lyp-6-31g-calculations-2305.18454</loc><lastmod>2023-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pubchemqc-b3lyp-6-31g-pm6-dataset-the-electronic-structures-of-86-million-molecules-using-b3lyp-6-31g-calculations-2305.18454"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pubchemqc-b3lyp-6-31g-pm6-dataset-the-electronic-structures-of-86-million-molecules-using-b3lyp-6-31g-calculations-2305.18454"/></url>
<url><loc>https://scifaro.com/en/abs/vo2-phase-change-electrodes-in-li-ion-batteries-2305.19002</loc><lastmod>2023-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vo2-phase-change-electrodes-in-li-ion-batteries-2305.19002"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vo2-phase-change-electrodes-in-li-ion-batteries-2305.19002"/></url>
<url><loc>https://scifaro.com/en/abs/magnet-motif-agnostic-generation-of-molecules-from-shapes-2305.19303</loc><lastmod>2023-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnet-motif-agnostic-generation-of-molecules-from-shapes-2305.19303"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnet-motif-agnostic-generation-of-molecules-from-shapes-2305.19303"/></url>
<url><loc>https://scifaro.com/en/abs/catalysis-distillation-neural-network-for-the-few-shot-open-catalyst-challenge-2305.19545</loc><lastmod>2023-06-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catalysis-distillation-neural-network-for-the-few-shot-open-catalyst-challenge-2305.19545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catalysis-distillation-neural-network-for-the-few-shot-open-catalyst-challenge-2305.19545"/></url>
<url><loc>https://scifaro.com/en/abs/static-embedding-with-pair-coupled-cluster-doubles-based-methods-2305.19723</loc><lastmod>2024-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/static-embedding-with-pair-coupled-cluster-doubles-based-methods-2305.19723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/static-embedding-with-pair-coupled-cluster-doubles-based-methods-2305.19723"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-simulation-of-impulsive-stimulated-x-ray-raman-scattering-2305.19942</loc><lastmod>2023-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-simulation-of-impulsive-stimulated-x-ray-raman-scattering-2305.19942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-simulation-of-impulsive-stimulated-x-ray-raman-scattering-2305.19942"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-paddle-wheels-in-a-solid-state-electrolyte-2306.00139</loc><lastmod>2023-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-paddle-wheels-in-a-solid-state-electrolyte-2306.00139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-paddle-wheels-in-a-solid-state-electrolyte-2306.00139"/></url>
<url><loc>https://scifaro.com/en/abs/an-expansion-of-polarization-control-using-semiconductor-liquid-junctions-2306.00143</loc><lastmod>2023-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-expansion-of-polarization-control-using-semiconductor-liquid-junctions-2306.00143"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-expansion-of-polarization-control-using-semiconductor-liquid-junctions-2306.00143"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-molecular-j-and-h-aggregates-using-multiple-davydov-d2-ansatz-2306.00429</loc><lastmod>2023-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-molecular-j-and-h-aggregates-using-multiple-davydov-d2-ansatz-2306.00429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-molecular-j-and-h-aggregates-using-multiple-davydov-d2-ansatz-2306.00429"/></url>
<url><loc>https://scifaro.com/en/abs/inspecting-molecular-aggregate-quadratic-vibronic-coupling-effects-using-squeezed-coherent-states-2306.00436</loc><lastmod>2023-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inspecting-molecular-aggregate-quadratic-vibronic-coupling-effects-using-squeezed-coherent-states-2306.00436"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inspecting-molecular-aggregate-quadratic-vibronic-coupling-effects-using-squeezed-coherent-states-2306.00436"/></url>
<url><loc>https://scifaro.com/en/abs/intensity-borrowing-mechanisms-pertinent-to-laser-cooling-of-linear-polyatomic-molecules-2306.00699</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intensity-borrowing-mechanisms-pertinent-to-laser-cooling-of-linear-polyatomic-molecules-2306.00699"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intensity-borrowing-mechanisms-pertinent-to-laser-cooling-of-linear-polyatomic-molecules-2306.00699"/></url>
<url><loc>https://scifaro.com/en/abs/a-site-site-interaction-two-dimensional-model-with-water-like-structural-properties-2306.00907</loc><lastmod>2023-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-site-site-interaction-two-dimensional-model-with-water-like-structural-properties-2306.00907"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-site-site-interaction-two-dimensional-model-with-water-like-structural-properties-2306.00907"/></url>
<url><loc>https://scifaro.com/en/abs/dynamical-correlations-in-simple-disorder-and-complex-disorder-liquid-2306.00913</loc><lastmod>2023-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamical-correlations-in-simple-disorder-and-complex-disorder-liquid-2306.00913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamical-correlations-in-simple-disorder-and-complex-disorder-liquid-2306.00913"/></url>
<url><loc>https://scifaro.com/en/abs/the-influence-of-charge-ordering-in-the-microscopic-structure-of-monohydroxy-alcohols-2306.00925</loc><lastmod>2023-06-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-influence-of-charge-ordering-in-the-microscopic-structure-of-monohydroxy-alcohols-2306.00925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-influence-of-charge-ordering-in-the-microscopic-structure-of-monohydroxy-alcohols-2306.00925"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-calculation-of-dispersion-energy-for-multireference-systems-with-cholesky-decomposition-application-to-excited-state-interactions-2306.01547</loc><lastmod>2023-06-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-calculation-of-dispersion-energy-for-multireference-systems-with-cholesky-decomposition-application-to-excited-state-interactions-2306.01547"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-calculation-of-dispersion-energy-for-multireference-systems-with-cholesky-decomposition-application-to-excited-state-interactions-2306.01547"/></url>
<url><loc>https://scifaro.com/en/abs/equation-generator-for-equation-of-motion-coupled-cluster-assisted-by-computer-algebra-system-2306.01573</loc><lastmod>2023-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equation-generator-for-equation-of-motion-coupled-cluster-assisted-by-computer-algebra-system-2306.01573"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equation-generator-for-equation-of-motion-coupled-cluster-assisted-by-computer-algebra-system-2306.01573"/></url>
<url><loc>https://scifaro.com/en/abs/structural-constraints-limit-the-regime-of-optimal-flux-in-autocatalytic-reaction-networks-2306.02366</loc><lastmod>2024-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-constraints-limit-the-regime-of-optimal-flux-in-autocatalytic-reaction-networks-2306.02366"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-constraints-limit-the-regime-of-optimal-flux-in-autocatalytic-reaction-networks-2306.02366"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-framework-for-modeling-exciton-polaritons-in-molecular-materials-2306.02523</loc><lastmod>2024-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-framework-for-modeling-exciton-polaritons-in-molecular-materials-2306.02523"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-framework-for-modeling-exciton-polaritons-in-molecular-materials-2306.02523"/></url>
<url><loc>https://scifaro.com/en/abs/advantages-of-multi-dimensional-biasing-in-accelerated-dynamics-application-to-the-calculation-of-the-acid-pk-a-for-acetic-acid-2306.03393</loc><lastmod>2023-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/advantages-of-multi-dimensional-biasing-in-accelerated-dynamics-application-to-the-calculation-of-the-acid-pk-a-for-acetic-acid-2306.03393"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/advantages-of-multi-dimensional-biasing-in-accelerated-dynamics-application-to-the-calculation-of-the-acid-pk-a-for-acetic-acid-2306.03393"/></url>
<url><loc>https://scifaro.com/en/abs/polarizability-plays-a-decisive-role-in-modulating-association-between-molecular-cations-and-anions-2306.03851</loc><lastmod>2023-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polarizability-plays-a-decisive-role-in-modulating-association-between-molecular-cations-and-anions-2306.03851"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polarizability-plays-a-decisive-role-in-modulating-association-between-molecular-cations-and-anions-2306.03851"/></url>
<url><loc>https://scifaro.com/en/abs/local-density-approximation-for-excited-states-2306.04023</loc><lastmod>2024-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-density-approximation-for-excited-states-2306.04023"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-density-approximation-for-excited-states-2306.04023"/></url>
<url><loc>https://scifaro.com/en/abs/cold-cas-ion-trap-22-pole-trap-with-ring-electrodes-for-astrochemistry-2306.04245</loc><lastmod>2023-06-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cold-cas-ion-trap-22-pole-trap-with-ring-electrodes-for-astrochemistry-2306.04245"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cold-cas-ion-trap-22-pole-trap-with-ring-electrodes-for-astrochemistry-2306.04245"/></url>
<url><loc>https://scifaro.com/en/abs/rpa-an-accurate-and-fast-method-for-the-computation-of-static-non-linear-optical-properties-2306.04418</loc><lastmod>2023-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rpa-an-accurate-and-fast-method-for-the-computation-of-static-non-linear-optical-properties-2306.04418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rpa-an-accurate-and-fast-method-for-the-computation-of-static-non-linear-optical-properties-2306.04418"/></url>
<url><loc>https://scifaro.com/en/abs/plasma-processes-affecting-etching-and-growth-of-nitride-materials-2306.04789</loc><lastmod>2023-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/plasma-processes-affecting-etching-and-growth-of-nitride-materials-2306.04789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/plasma-processes-affecting-etching-and-growth-of-nitride-materials-2306.04789"/></url>
<url><loc>https://scifaro.com/en/abs/embedded-micro-interdigitated-flow-fields-in-high-areal-loading-intercalation-electrodes-towards-seawater-desalination-and-beyond-2306.05198</loc><lastmod>2023-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/embedded-micro-interdigitated-flow-fields-in-high-areal-loading-intercalation-electrodes-towards-seawater-desalination-and-beyond-2306.05198"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/embedded-micro-interdigitated-flow-fields-in-high-areal-loading-intercalation-electrodes-towards-seawater-desalination-and-beyond-2306.05198"/></url>
<url><loc>https://scifaro.com/en/abs/how-does-mg-2-aq-interact-with-atp-aq-biomolecular-structure-through-the-lens-of-liquid-jet-photoelectron-spectroscopy-2306.05352</loc><lastmod>2024-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-does-mg-2-aq-interact-with-atp-aq-biomolecular-structure-through-the-lens-of-liquid-jet-photoelectron-spectroscopy-2306.05352"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-does-mg-2-aq-interact-with-atp-aq-biomolecular-structure-through-the-lens-of-liquid-jet-photoelectron-spectroscopy-2306.05352"/></url>
<url><loc>https://scifaro.com/en/abs/towards-predicting-equilibrium-distributions-for-molecular-systems-with-deep-learning-2306.05445</loc><lastmod>2023-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-predicting-equilibrium-distributions-for-molecular-systems-with-deep-learning-2306.05445"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-predicting-equilibrium-distributions-for-molecular-systems-with-deep-learning-2306.05445"/></url>
<url><loc>https://scifaro.com/en/abs/the-fundamental-drivers-of-electrochemical-barriers-2306.05521</loc><lastmod>2023-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-fundamental-drivers-of-electrochemical-barriers-2306.05521"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-fundamental-drivers-of-electrochemical-barriers-2306.05521"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-internal-conversion-and-photochromism-in-gas-phase-salicylideneaniline-2306.05645</loc><lastmod>2024-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-internal-conversion-and-photochromism-in-gas-phase-salicylideneaniline-2306.05645"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-internal-conversion-and-photochromism-in-gas-phase-salicylideneaniline-2306.05645"/></url>
<url><loc>https://scifaro.com/en/abs/thermalization-of-open-quantum-systems-using-the-multiple-davydov-d2-variational-approach-2306.05714</loc><lastmod>2023-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermalization-of-open-quantum-systems-using-the-multiple-davydov-d2-variational-approach-2306.05714"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermalization-of-open-quantum-systems-using-the-multiple-davydov-d2-variational-approach-2306.05714"/></url>
<url><loc>https://scifaro.com/en/abs/doubly-stochastic-graph-based-non-autoregressive-reaction-prediction-2306.06119</loc><lastmod>2023-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/doubly-stochastic-graph-based-non-autoregressive-reaction-prediction-2306.06119"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/doubly-stochastic-graph-based-non-autoregressive-reaction-prediction-2306.06119"/></url>
<url><loc>https://scifaro.com/en/abs/simulation-of-ab-initio-optical-absorption-spectrum-of-beta-carotene-with-fully-resolved-s-0-and-s-2-vibrational-normal-modes-2306.07286</loc><lastmod>2023-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulation-of-ab-initio-optical-absorption-spectrum-of-beta-carotene-with-fully-resolved-s-0-and-s-2-vibrational-normal-modes-2306.07286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulation-of-ab-initio-optical-absorption-spectrum-of-beta-carotene-with-fully-resolved-s-0-and-s-2-vibrational-normal-modes-2306.07286"/></url>
<url><loc>https://scifaro.com/en/abs/improved-temperature-dependence-of-rate-coefficients-for-rotational-state-to-state-transitions-in-h-2-o-h-2-o-collisions-2306.07287</loc><lastmod>2023-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-temperature-dependence-of-rate-coefficients-for-rotational-state-to-state-transitions-in-h-2-o-h-2-o-collisions-2306.07287"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-temperature-dependence-of-rate-coefficients-for-rotational-state-to-state-transitions-in-h-2-o-h-2-o-collisions-2306.07287"/></url>
<url><loc>https://scifaro.com/en/abs/von-mises-mixture-distributions-for-molecular-conformation-generation-2306.07472</loc><lastmod>2023-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/von-mises-mixture-distributions-for-molecular-conformation-generation-2306.07472"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/von-mises-mixture-distributions-for-molecular-conformation-generation-2306.07472"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-hydrogen-diffusion-in-the-three-stage-electro-permeation-test-2306.07666</loc><lastmod>2023-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-hydrogen-diffusion-in-the-three-stage-electro-permeation-test-2306.07666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-hydrogen-diffusion-in-the-three-stage-electro-permeation-test-2306.07666"/></url>
<url><loc>https://scifaro.com/en/abs/anisotropic-interfacial-force-field-for-interfaces-of-water-with-hexagonal-boron-nitride-2306.07687</loc><lastmod>2023-06-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anisotropic-interfacial-force-field-for-interfaces-of-water-with-hexagonal-boron-nitride-2306.07687"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anisotropic-interfacial-force-field-for-interfaces-of-water-with-hexagonal-boron-nitride-2306.07687"/></url>
<url><loc>https://scifaro.com/en/abs/gibbs-duhem-informed-neural-networks-for-binary-activity-coefficient-prediction-2306.07937</loc><lastmod>2023-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gibbs-duhem-informed-neural-networks-for-binary-activity-coefficient-prediction-2306.07937"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gibbs-duhem-informed-neural-networks-for-binary-activity-coefficient-prediction-2306.07937"/></url>
<url><loc>https://scifaro.com/en/abs/highly-accurate-prediction-of-nmr-chemical-shifts-from-low-level-quantum-mechanics-calculations-using-machine-learning-2306.08269</loc><lastmod>2023-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-accurate-prediction-of-nmr-chemical-shifts-from-low-level-quantum-mechanics-calculations-using-machine-learning-2306.08269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-accurate-prediction-of-nmr-chemical-shifts-from-low-level-quantum-mechanics-calculations-using-machine-learning-2306.08269"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-potential-energy-surface-benchmarking-a-complete-application-of-machine-learning-to-chemical-reactivity-2306.08273</loc><lastmod>2023-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-potential-energy-surface-benchmarking-a-complete-application-of-machine-learning-to-chemical-reactivity-2306.08273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-potential-energy-surface-benchmarking-a-complete-application-of-machine-learning-to-chemical-reactivity-2306.08273"/></url>
<url><loc>https://scifaro.com/en/abs/propagators-for-molecular-dynamics-in-a-magnetic-field-2306.08332</loc><lastmod>2023-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/propagators-for-molecular-dynamics-in-a-magnetic-field-2306.08332"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/propagators-for-molecular-dynamics-in-a-magnetic-field-2306.08332"/></url>
<url><loc>https://scifaro.com/en/abs/probing-the-unfolded-configurations-of-a-beta-hairpin-using-sketch-map-2306.08429</loc><lastmod>2023-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probing-the-unfolded-configurations-of-a-beta-hairpin-using-sketch-map-2306.08429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probing-the-unfolded-configurations-of-a-beta-hairpin-using-sketch-map-2306.08429"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-parameter-space-of-an-endohedral-atom-in-a-cylindrical-cavity-2306.08491</loc><lastmod>2023-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-parameter-space-of-an-endohedral-atom-in-a-cylindrical-cavity-2306.08491"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-parameter-space-of-an-endohedral-atom-in-a-cylindrical-cavity-2306.08491"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-electronic-decoherence-pathways-in-molecules-2306.08574</loc><lastmod>2024-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-electronic-decoherence-pathways-in-molecules-2306.08574"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-electronic-decoherence-pathways-in-molecules-2306.08574"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-control-of-radical-pair-dynamics-beyond-time-local-optimization-2306.08613</loc><lastmod>2024-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-control-of-radical-pair-dynamics-beyond-time-local-optimization-2306.08613"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-control-of-radical-pair-dynamics-beyond-time-local-optimization-2306.08613"/></url>
<url><loc>https://scifaro.com/en/abs/multiscale-simulation-of-three-dimensional-thin-film-lubrication-2306.08799</loc><lastmod>2023-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-simulation-of-three-dimensional-thin-film-lubrication-2306.08799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-simulation-of-three-dimensional-thin-film-lubrication-2306.08799"/></url>
<url><loc>https://scifaro.com/en/abs/the-design-of-new-practical-constraints-in-auxiliary-field-quantum-monte-carlo-2306.09207</loc><lastmod>2023-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-design-of-new-practical-constraints-in-auxiliary-field-quantum-monte-carlo-2306.09207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-design-of-new-practical-constraints-in-auxiliary-field-quantum-monte-carlo-2306.09207"/></url>
<url><loc>https://scifaro.com/en/abs/automated-consistent-and-even-handed-selection-of-active-orbital-spaces-for-quantum-embedding-2306.09488</loc><lastmod>2023-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-consistent-and-even-handed-selection-of-active-orbital-spaces-for-quantum-embedding-2306.09488"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-consistent-and-even-handed-selection-of-active-orbital-spaces-for-quantum-embedding-2306.09488"/></url>
<url><loc>https://scifaro.com/en/abs/pressure-induced-detour-of-li-transport-during-large-scale-electroplating-of-lithium-in-high-energy-lithium-metal-pouch-cells-2306.09522</loc><lastmod>2023-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pressure-induced-detour-of-li-transport-during-large-scale-electroplating-of-lithium-in-high-energy-lithium-metal-pouch-cells-2306.09522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pressure-induced-detour-of-li-transport-during-large-scale-electroplating-of-lithium-in-high-energy-lithium-metal-pouch-cells-2306.09522"/></url>
<url><loc>https://scifaro.com/en/abs/qh9-a-quantum-hamiltonian-prediction-benchmark-for-qm9-molecules-2306.09549</loc><lastmod>2024-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qh9-a-quantum-hamiltonian-prediction-benchmark-for-qm9-molecules-2306.09549"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qh9-a-quantum-hamiltonian-prediction-benchmark-for-qm9-molecules-2306.09549"/></url>
<url><loc>https://scifaro.com/en/abs/converging-high-level-coupled-cluster-energetics-via-adaptive-selection-of-excitation-manifolds-driven-by-moment-expansions-2306.09638</loc><lastmod>2023-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/converging-high-level-coupled-cluster-energetics-via-adaptive-selection-of-excitation-manifolds-driven-by-moment-expansions-2306.09638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/converging-high-level-coupled-cluster-energetics-via-adaptive-selection-of-excitation-manifolds-driven-by-moment-expansions-2306.09638"/></url>
<url><loc>https://scifaro.com/en/abs/large-vibrationally-induced-parity-violation-effects-in-chdbri-a-promising-candidate-for-future-experiments-2306.09763</loc><lastmod>2023-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/large-vibrationally-induced-parity-violation-effects-in-chdbri-a-promising-candidate-for-future-experiments-2306.09763"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/large-vibrationally-induced-parity-violation-effects-in-chdbri-a-promising-candidate-for-future-experiments-2306.09763"/></url>
<url><loc>https://scifaro.com/en/abs/multibinding-sites-united-in-covalent-organic-frameworks-msucof-for-h-2-storage-and-delivery-at-room-temperature-2306.10036</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multibinding-sites-united-in-covalent-organic-frameworks-msucof-for-h-2-storage-and-delivery-at-room-temperature-2306.10036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multibinding-sites-united-in-covalent-organic-frameworks-msucof-for-h-2-storage-and-delivery-at-room-temperature-2306.10036"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-approximations-of-complete-interatomic-potentials-for-crystal-property-prediction-2306.10045</loc><lastmod>2023-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-approximations-of-complete-interatomic-potentials-for-crystal-property-prediction-2306.10045"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-approximations-of-complete-interatomic-potentials-for-crystal-property-prediction-2306.10045"/></url>
<url><loc>https://scifaro.com/en/abs/muben-benchmarking-the-uncertainty-of-molecular-representation-models-2306.10060</loc><lastmod>2024-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/muben-benchmarking-the-uncertainty-of-molecular-representation-models-2306.10060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/muben-benchmarking-the-uncertainty-of-molecular-representation-models-2306.10060"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-interplay-of-subset-selection-and-informed-graph-neural-networks-2306.10066</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-interplay-of-subset-selection-and-informed-graph-neural-networks-2306.10066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-interplay-of-subset-selection-and-informed-graph-neural-networks-2306.10066"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-simulations-of-photoisomerization-and-dissociation-in-ethylene-using-ab-initio-classical-trajectories-2306.10195</loc><lastmod>2023-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-simulations-of-photoisomerization-and-dissociation-in-ethylene-using-ab-initio-classical-trajectories-2306.10195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-simulations-of-photoisomerization-and-dissociation-in-ethylene-using-ab-initio-classical-trajectories-2306.10195"/></url>
<url><loc>https://scifaro.com/en/abs/electron-transfer-at-molecule-metal-interfaces-under-floquet-engineering-rate-constant-and-floquet-marcus-theory-2306.10219</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-transfer-at-molecule-metal-interfaces-under-floquet-engineering-rate-constant-and-floquet-marcus-theory-2306.10219"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-transfer-at-molecule-metal-interfaces-under-floquet-engineering-rate-constant-and-floquet-marcus-theory-2306.10219"/></url>
<url><loc>https://scifaro.com/en/abs/collective-energy-transfer-to-a-spectator-atom-via-multi-center-intermolecular-coulombic-decay-2306.10263</loc><lastmod>2026-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collective-energy-transfer-to-a-spectator-atom-via-multi-center-intermolecular-coulombic-decay-2306.10263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collective-energy-transfer-to-a-spectator-atom-via-multi-center-intermolecular-coulombic-decay-2306.10263"/></url>
<url><loc>https://scifaro.com/en/abs/mid-infrared-trace-detection-with-parts-per-quadrillion-quantitation-accuracy-expanding-frontiers-of-radiocarbon-sensing-2306.10424</loc><lastmod>2023-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mid-infrared-trace-detection-with-parts-per-quadrillion-quantitation-accuracy-expanding-frontiers-of-radiocarbon-sensing-2306.10424"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mid-infrared-trace-detection-with-parts-per-quadrillion-quantitation-accuracy-expanding-frontiers-of-radiocarbon-sensing-2306.10424"/></url>
<url><loc>https://scifaro.com/en/abs/mxenes-for-co-rm-2-reduction-and-catalytically-improved-liquid-hydrogen-storage-vie-reverse-water-gas-shift-reaction-2306.10597</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mxenes-for-co-rm-2-reduction-and-catalytically-improved-liquid-hydrogen-storage-vie-reverse-water-gas-shift-reaction-2306.10597"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mxenes-for-co-rm-2-reduction-and-catalytically-improved-liquid-hydrogen-storage-vie-reverse-water-gas-shift-reaction-2306.10597"/></url>
<url><loc>https://scifaro.com/en/abs/transcorrelated-selected-configuration-interaction-in-a-bi-orthonormal-basis-and-a-cheap-three-body-correlation-factor-2306.10888</loc><lastmod>2023-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transcorrelated-selected-configuration-interaction-in-a-bi-orthonormal-basis-and-a-cheap-three-body-correlation-factor-2306.10888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transcorrelated-selected-configuration-interaction-in-a-bi-orthonormal-basis-and-a-cheap-three-body-correlation-factor-2306.10888"/></url>
<url><loc>https://scifaro.com/en/abs/basis-set-error-free-rpa-correlation-energies-for-atoms-based-on-the-sternheimer-equation-2306.11221</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/basis-set-error-free-rpa-correlation-energies-for-atoms-based-on-the-sternheimer-equation-2306.11221"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/basis-set-error-free-rpa-correlation-energies-for-atoms-based-on-the-sternheimer-equation-2306.11221"/></url>
<url><loc>https://scifaro.com/en/abs/sequential-flipping-a-donor-acceptor-exchange-mechanism-in-water-trimer-2306.11234</loc><lastmod>2023-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sequential-flipping-a-donor-acceptor-exchange-mechanism-in-water-trimer-2306.11234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sequential-flipping-a-donor-acceptor-exchange-mechanism-in-water-trimer-2306.11234"/></url>
<url><loc>https://scifaro.com/en/abs/water-assisted-electron-capture-exceeds-photorecombination-in-biological-conditions-2306.11738</loc><lastmod>2023-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-assisted-electron-capture-exceeds-photorecombination-in-biological-conditions-2306.11738"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-assisted-electron-capture-exceeds-photorecombination-in-biological-conditions-2306.11738"/></url>
<url><loc>https://scifaro.com/en/abs/nucleation-of-supercooled-liquid-aluminum-an-first-principles-molecular-dynamics-study-based-on-orbital-free-density-functional-theory-2306.11933</loc><lastmod>2023-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nucleation-of-supercooled-liquid-aluminum-an-first-principles-molecular-dynamics-study-based-on-orbital-free-density-functional-theory-2306.11933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nucleation-of-supercooled-liquid-aluminum-an-first-principles-molecular-dynamics-study-based-on-orbital-free-density-functional-theory-2306.11933"/></url>
<url><loc>https://scifaro.com/en/abs/unveiling-the-impact-of-crosslinking-redox-active-polymers-on-their-electrochemical-behavior-by-3d-imaging-and-statistical-microstructure-analysis-2306.12147</loc><lastmod>2023-06-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unveiling-the-impact-of-crosslinking-redox-active-polymers-on-their-electrochemical-behavior-by-3d-imaging-and-statistical-microstructure-analysis-2306.12147"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unveiling-the-impact-of-crosslinking-redox-active-polymers-on-their-electrochemical-behavior-by-3d-imaging-and-statistical-microstructure-analysis-2306.12147"/></url>
<url><loc>https://scifaro.com/en/abs/optical-frequency-comb-fourier-transform-spectroscopy-of-formaldehyde-in-the-1250-to-1390-cm-1-range-experimental-line-list-and-improved-marvel-analysis-2306.12246</loc><lastmod>2023-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optical-frequency-comb-fourier-transform-spectroscopy-of-formaldehyde-in-the-1250-to-1390-cm-1-range-experimental-line-list-and-improved-marvel-analysis-2306.12246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optical-frequency-comb-fourier-transform-spectroscopy-of-formaldehyde-in-the-1250-to-1390-cm-1-range-experimental-line-list-and-improved-marvel-analysis-2306.12246"/></url>
<url><loc>https://scifaro.com/en/abs/a-fast-dense-chebyshev-solver-for-electronic-structure-on-gpus-2306.12616</loc><lastmod>2023-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-fast-dense-chebyshev-solver-for-electronic-structure-on-gpus-2306.12616"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-fast-dense-chebyshev-solver-for-electronic-structure-on-gpus-2306.12616"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-hartree-fock-exchange-algorithm-with-coulomb-range-separation-and-long-range-density-fitting-2306.12764</loc><lastmod>2023-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-hartree-fock-exchange-algorithm-with-coulomb-range-separation-and-long-range-density-fitting-2306.12764"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-hartree-fock-exchange-algorithm-with-coulomb-range-separation-and-long-range-density-fitting-2306.12764"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-nature-of-the-two-positron-bond-evidence-for-a-novel-bond-type-2306.12899</loc><lastmod>2023-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-nature-of-the-two-positron-bond-evidence-for-a-novel-bond-type-2306.12899"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-nature-of-the-two-positron-bond-evidence-for-a-novel-bond-type-2306.12899"/></url>
<url><loc>https://scifaro.com/en/abs/the-limit-of-macroscopic-homogeneous-ice-nucleation-at-the-nanoscale-2306.12903</loc><lastmod>2023-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-limit-of-macroscopic-homogeneous-ice-nucleation-at-the-nanoscale-2306.12903"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-limit-of-macroscopic-homogeneous-ice-nucleation-at-the-nanoscale-2306.12903"/></url>
<url><loc>https://scifaro.com/en/abs/correlating-activity-and-defects-in-photo-electrocatalysts-using-in-situ-transient-optical-microscopy-2306.13401</loc><lastmod>2023-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlating-activity-and-defects-in-photo-electrocatalysts-using-in-situ-transient-optical-microscopy-2306.13401"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlating-activity-and-defects-in-photo-electrocatalysts-using-in-situ-transient-optical-microscopy-2306.13401"/></url>
<url><loc>https://scifaro.com/en/abs/revisiting-gauge-independent-kinetic-energy-densities-in-meta-ggas-and-local-hybrid-calculations-of-magnetizabilities-2306.13407</loc><lastmod>2025-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revisiting-gauge-independent-kinetic-energy-densities-in-meta-ggas-and-local-hybrid-calculations-of-magnetizabilities-2306.13407"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revisiting-gauge-independent-kinetic-energy-densities-in-meta-ggas-and-local-hybrid-calculations-of-magnetizabilities-2306.13407"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-insights-into-chemical-reactions-at-aqueous-aerosol-interfaces-2306.13811</loc><lastmod>2023-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-insights-into-chemical-reactions-at-aqueous-aerosol-interfaces-2306.13811"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-insights-into-chemical-reactions-at-aqueous-aerosol-interfaces-2306.13811"/></url>
<url><loc>https://scifaro.com/en/abs/limits-of-stability-for-compounds-of-pentavalent-praseodymium-2306.13939</loc><lastmod>2023-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/limits-of-stability-for-compounds-of-pentavalent-praseodymium-2306.13939"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/limits-of-stability-for-compounds-of-pentavalent-praseodymium-2306.13939"/></url>
<url><loc>https://scifaro.com/en/abs/extremely-long-c-c-bonds-predicted-beyond-2-0-r-a-2306.13997</loc><lastmod>2023-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extremely-long-c-c-bonds-predicted-beyond-2-0-r-a-2306.13997"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extremely-long-c-c-bonds-predicted-beyond-2-0-r-a-2306.13997"/></url>
<url><loc>https://scifaro.com/en/abs/automated-exploration-of-reaction-network-and-mechanism-via-meta-dynamics-nanoreactor-2306.14130</loc><lastmod>2023-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-exploration-of-reaction-network-and-mechanism-via-meta-dynamics-nanoreactor-2306.14130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-exploration-of-reaction-network-and-mechanism-via-meta-dynamics-nanoreactor-2306.14130"/></url>
<url><loc>https://scifaro.com/en/abs/deepks-model-for-halide-perovskites-with-the-accuracy-of-hybrid-functional-2306.14486</loc><lastmod>2023-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deepks-model-for-halide-perovskites-with-the-accuracy-of-hybrid-functional-2306.14486"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deepks-model-for-halide-perovskites-with-the-accuracy-of-hybrid-functional-2306.14486"/></url>
<url><loc>https://scifaro.com/en/abs/nanoextraction-from-a-flow-of-a-highly-diluted-solution-for-much-improved-sensitivity-in-offline-chemical-detection-and-quantification-2306.14860</loc><lastmod>2023-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanoextraction-from-a-flow-of-a-highly-diluted-solution-for-much-improved-sensitivity-in-offline-chemical-detection-and-quantification-2306.14860"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanoextraction-from-a-flow-of-a-highly-diluted-solution-for-much-improved-sensitivity-in-offline-chemical-detection-and-quantification-2306.14860"/></url>
<url><loc>https://scifaro.com/en/abs/uncertainty-estimation-for-molecules-desiderata-and-methods-2306.14916</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncertainty-estimation-for-molecules-desiderata-and-methods-2306.14916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncertainty-estimation-for-molecules-desiderata-and-methods-2306.14916"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-chemical-language-a-multimodal-approach-to-enhance-molecular-property-prediction-2306.14919</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-chemical-language-a-multimodal-approach-to-enhance-molecular-property-prediction-2306.14919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-chemical-language-a-multimodal-approach-to-enhance-molecular-property-prediction-2306.14919"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-view-on-density-corrected-dft-can-one-get-a-better-answer-for-a-good-reason-2306.15016</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-view-on-density-corrected-dft-can-one-get-a-better-answer-for-a-good-reason-2306.15016"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-view-on-density-corrected-dft-can-one-get-a-better-answer-for-a-good-reason-2306.15016"/></url>
<url><loc>https://scifaro.com/en/abs/net-electrophilicity-as-computational-route-for-the-choice-of-favorable-ionic-liquids-in-nanoparticle-production-2306.15066</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/net-electrophilicity-as-computational-route-for-the-choice-of-favorable-ionic-liquids-in-nanoparticle-production-2306.15066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/net-electrophilicity-as-computational-route-for-the-choice-of-favorable-ionic-liquids-in-nanoparticle-production-2306.15066"/></url>
<url><loc>https://scifaro.com/en/abs/scalable-quantum-monte-carlo-with-direct-product-trial-wave-functions-2306.15186</loc><lastmod>2023-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scalable-quantum-monte-carlo-with-direct-product-trial-wave-functions-2306.15186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scalable-quantum-monte-carlo-with-direct-product-trial-wave-functions-2306.15186"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-bond-analysis-for-the-entire-periodic-table-energy-decomposition-and-natural-orbitals-for-chemical-valence-in-the-four-component-relativistic-framework-2306.15386</loc><lastmod>2023-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-bond-analysis-for-the-entire-periodic-table-energy-decomposition-and-natural-orbitals-for-chemical-valence-in-the-four-component-relativistic-framework-2306.15386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-bond-analysis-for-the-entire-periodic-table-energy-decomposition-and-natural-orbitals-for-chemical-valence-in-the-four-component-relativistic-framework-2306.15386"/></url>
<url><loc>https://scifaro.com/en/abs/robustness-of-local-predictions-in-atomistic-machine-learning-models-2306.15638</loc><lastmod>2024-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robustness-of-local-predictions-in-atomistic-machine-learning-models-2306.15638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robustness-of-local-predictions-in-atomistic-machine-learning-models-2306.15638"/></url>
<url><loc>https://scifaro.com/en/abs/a-fuzzy-classification-framework-to-identify-equivalent-atoms-in-complex-materials-and-molecules-2306.15923</loc><lastmod>2023-06-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-fuzzy-classification-framework-to-identify-equivalent-atoms-in-complex-materials-and-molecules-2306.15923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-fuzzy-classification-framework-to-identify-equivalent-atoms-in-complex-materials-and-molecules-2306.15923"/></url>
<url><loc>https://scifaro.com/en/abs/low-scaling-gw-algorithm-applied-to-twisted-transition-metal-dichalcogenide-heterobilayers-2306.16066</loc><lastmod>2024-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-scaling-gw-algorithm-applied-to-twisted-transition-metal-dichalcogenide-heterobilayers-2306.16066"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-scaling-gw-algorithm-applied-to-twisted-transition-metal-dichalcogenide-heterobilayers-2306.16066"/></url>
<url><loc>https://scifaro.com/en/abs/a-comparative-study-of-the-correlation-between-the-structure-and-the-dynamics-for-systems-interacting-via-attractive-and-repulsive-potentials-2306.16149</loc><lastmod>2023-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comparative-study-of-the-correlation-between-the-structure-and-the-dynamics-for-systems-interacting-via-attractive-and-repulsive-potentials-2306.16149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comparative-study-of-the-correlation-between-the-structure-and-the-dynamics-for-systems-interacting-via-attractive-and-repulsive-potentials-2306.16149"/></url>
<url><loc>https://scifaro.com/en/abs/electro-chemo-mechanical-model-for-polymer-electrolytes-2306.16157</loc><lastmod>2024-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electro-chemo-mechanical-model-for-polymer-electrolytes-2306.16157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electro-chemo-mechanical-model-for-polymer-electrolytes-2306.16157"/></url>
<url><loc>https://scifaro.com/en/abs/which-algorithm-best-propagates-the-meyer-miller-stock-thoss-mapping-hamiltonian-for-non-adiabatic-dynamics-2306.16164</loc><lastmod>2023-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/which-algorithm-best-propagates-the-meyer-miller-stock-thoss-mapping-hamiltonian-for-non-adiabatic-dynamics-2306.16164"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/which-algorithm-best-propagates-the-meyer-miller-stock-thoss-mapping-hamiltonian-for-non-adiabatic-dynamics-2306.16164"/></url>
<url><loc>https://scifaro.com/en/abs/alchemical-diastereomers-from-antisymmetric-alchemical-perturbations-2306.16409</loc><lastmod>2025-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alchemical-diastereomers-from-antisymmetric-alchemical-perturbations-2306.16409"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alchemical-diastereomers-from-antisymmetric-alchemical-perturbations-2306.16409"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-background-signal-on-momentum-imaging-2306.16708</loc><lastmod>2024-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-background-signal-on-momentum-imaging-2306.16708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-background-signal-on-momentum-imaging-2306.16708"/></url>
<url><loc>https://scifaro.com/en/abs/magneto-optical-imaging-of-magnetic-domain-pinning-induced-by-chiral-molecules-2306.16865</loc><lastmod>2023-06-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magneto-optical-imaging-of-magnetic-domain-pinning-induced-by-chiral-molecules-2306.16865"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magneto-optical-imaging-of-magnetic-domain-pinning-induced-by-chiral-molecules-2306.16865"/></url>
<url><loc>https://scifaro.com/en/abs/stability-of-nucleic-acid-bases-in-concentrated-sulfuric-acid-implications-for-the-habitability-of-venus-clouds-2306.17182</loc><lastmod>2023-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stability-of-nucleic-acid-bases-in-concentrated-sulfuric-acid-implications-for-the-habitability-of-venus-clouds-2306.17182"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stability-of-nucleic-acid-bases-in-concentrated-sulfuric-acid-implications-for-the-habitability-of-venus-clouds-2306.17182"/></url>
<url><loc>https://scifaro.com/en/abs/the-103-rh-nmr-spectroscopy-and-relaxometry-of-the-rhodium-formate-paddlewheel-complex-2306.17457</loc><lastmod>2023-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-103-rh-nmr-spectroscopy-and-relaxometry-of-the-rhodium-formate-paddlewheel-complex-2306.17457"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-103-rh-nmr-spectroscopy-and-relaxometry-of-the-rhodium-formate-paddlewheel-complex-2306.17457"/></url>
<url><loc>https://scifaro.com/en/abs/variational-principle-to-regularize-machine-learned-density-functionals-the-non-interacting-kinetic-energy-functional-2306.17587</loc><lastmod>2023-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-principle-to-regularize-machine-learned-density-functionals-the-non-interacting-kinetic-energy-functional-2306.17587"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-principle-to-regularize-machine-learned-density-functionals-the-non-interacting-kinetic-energy-functional-2306.17587"/></url>
<url><loc>https://scifaro.com/en/abs/isotope-effects-in-the-electronic-spectra-of-ammonia-from-ab-initio-semiclassical-dynamics-2306.17633</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isotope-effects-in-the-electronic-spectra-of-ammonia-from-ab-initio-semiclassical-dynamics-2306.17633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isotope-effects-in-the-electronic-spectra-of-ammonia-from-ab-initio-semiclassical-dynamics-2306.17633"/></url>
<url><loc>https://scifaro.com/en/abs/band-gaps-of-long-period-polytypes-of-iv-iv-iv-and-iii-v-semiconductors-estimated-with-an-ising-type-additivity-model-2306.17756</loc><lastmod>2023-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/band-gaps-of-long-period-polytypes-of-iv-iv-iv-and-iii-v-semiconductors-estimated-with-an-ising-type-additivity-model-2306.17756"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/band-gaps-of-long-period-polytypes-of-iv-iv-iv-and-iii-v-semiconductors-estimated-with-an-ising-type-additivity-model-2306.17756"/></url>
<url><loc>https://scifaro.com/en/abs/corrected-density-functional-theory-and-the-random-phase-approximation-improved-accuracy-at-little-extra-cost-2307.00389</loc><lastmod>2023-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/corrected-density-functional-theory-and-the-random-phase-approximation-improved-accuracy-at-little-extra-cost-2307.00389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/corrected-density-functional-theory-and-the-random-phase-approximation-improved-accuracy-at-little-extra-cost-2307.00389"/></url>
<url><loc>https://scifaro.com/en/abs/economical-quasi-newton-self-consistent-field-solver-2307.00560</loc><lastmod>2023-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/economical-quasi-newton-self-consistent-field-solver-2307.00560"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/economical-quasi-newton-self-consistent-field-solver-2307.00560"/></url>
<url><loc>https://scifaro.com/en/abs/variational-augmentation-of-gaussian-continuum-basis-sets-for-calculating-atomic-higher-harmonic-generation-spectra-2307.00732</loc><lastmod>2023-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-augmentation-of-gaussian-continuum-basis-sets-for-calculating-atomic-higher-harmonic-generation-spectra-2307.00732"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-augmentation-of-gaussian-continuum-basis-sets-for-calculating-atomic-higher-harmonic-generation-spectra-2307.00732"/></url>
<url><loc>https://scifaro.com/en/abs/the-performance-of-approximate-equation-of-motion-coupled-cluster-for-valence-and-core-states-of-heavy-element-systems-2307.01342</loc><lastmod>2023-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-performance-of-approximate-equation-of-motion-coupled-cluster-for-valence-and-core-states-of-heavy-element-systems-2307.01342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-performance-of-approximate-equation-of-motion-coupled-cluster-for-valence-and-core-states-of-heavy-element-systems-2307.01342"/></url>
<url><loc>https://scifaro.com/en/abs/vibronic-fine-structure-in-the-nitrogen-1s-photoelectron-spectra-from-franck-condon-simulations-ii-indoles-2307.01510</loc><lastmod>2025-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibronic-fine-structure-in-the-nitrogen-1s-photoelectron-spectra-from-franck-condon-simulations-ii-indoles-2307.01510"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibronic-fine-structure-in-the-nitrogen-1s-photoelectron-spectra-from-franck-condon-simulations-ii-indoles-2307.01510"/></url>
<url><loc>https://scifaro.com/en/abs/cost-efficient-high-resolution-linear-absorption-spectra-through-extrapolating-the-dipole-moment-from-real-time-time-dependent-electronic-structure-theory-2307.01511</loc><lastmod>2023-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cost-efficient-high-resolution-linear-absorption-spectra-through-extrapolating-the-dipole-moment-from-real-time-time-dependent-electronic-structure-theory-2307.01511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cost-efficient-high-resolution-linear-absorption-spectra-through-extrapolating-the-dipole-moment-from-real-time-time-dependent-electronic-structure-theory-2307.01511"/></url>
<url><loc>https://scifaro.com/en/abs/electric-polarization-from-many-body-neural-network-ansatz-2307.02212</loc><lastmod>2024-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electric-polarization-from-many-body-neural-network-ansatz-2307.02212"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electric-polarization-from-many-body-neural-network-ansatz-2307.02212"/></url>
<url><loc>https://scifaro.com/en/abs/smooth-particle-mesh-ewald-integrated-stochastic-lanczos-many-body-dispersion-algorithm-2307.02278</loc><lastmod>2023-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/smooth-particle-mesh-ewald-integrated-stochastic-lanczos-many-body-dispersion-algorithm-2307.02278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/smooth-particle-mesh-ewald-integrated-stochastic-lanczos-many-body-dispersion-algorithm-2307.02278"/></url>
<url><loc>https://scifaro.com/en/abs/an-efficient-approach-to-include-transport-effects-in-thin-coating-layers-in-electrochemo-mechanical-models-for-all-solid-state-batteries-2307.02424</loc><lastmod>2023-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-efficient-approach-to-include-transport-effects-in-thin-coating-layers-in-electrochemo-mechanical-models-for-all-solid-state-batteries-2307.02424"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-efficient-approach-to-include-transport-effects-in-thin-coating-layers-in-electrochemo-mechanical-models-for-all-solid-state-batteries-2307.02424"/></url>
<url><loc>https://scifaro.com/en/abs/very-accurate-time-propagation-of-coupled-schr-odinger-equations-for-femto-and-attosecond-physics-and-chemistry-with-c-source-code-2307.02479</loc><lastmod>2023-07-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/very-accurate-time-propagation-of-coupled-schr-odinger-equations-for-femto-and-attosecond-physics-and-chemistry-with-c-source-code-2307.02479"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/very-accurate-time-propagation-of-coupled-schr-odinger-equations-for-femto-and-attosecond-physics-and-chemistry-with-c-source-code-2307.02479"/></url>
<url><loc>https://scifaro.com/en/abs/transient-spectroscopy-from-time-dependent-electronic-structure-theory-without-multipole-expansions-2307.02519</loc><lastmod>2024-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transient-spectroscopy-from-time-dependent-electronic-structure-theory-without-multipole-expansions-2307.02519"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transient-spectroscopy-from-time-dependent-electronic-structure-theory-without-multipole-expansions-2307.02519"/></url>
<url><loc>https://scifaro.com/en/abs/insight-on-gaussian-basis-set-truncation-errors-in-weak-to-intermediate-magnetic-fields-with-an-approximate-hamiltonian-2307.02635</loc><lastmod>2025-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/insight-on-gaussian-basis-set-truncation-errors-in-weak-to-intermediate-magnetic-fields-with-an-approximate-hamiltonian-2307.02635"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/insight-on-gaussian-basis-set-truncation-errors-in-weak-to-intermediate-magnetic-fields-with-an-approximate-hamiltonian-2307.02635"/></url>
<url><loc>https://scifaro.com/en/abs/regularized-and-opposite-spin-scaled-functionals-from-m-o-ller-plesset-adiabatic-connection-higher-accuracy-at-lower-cost-2307.02715</loc><lastmod>2023-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/regularized-and-opposite-spin-scaled-functionals-from-m-o-ller-plesset-adiabatic-connection-higher-accuracy-at-lower-cost-2307.02715"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/regularized-and-opposite-spin-scaled-functionals-from-m-o-ller-plesset-adiabatic-connection-higher-accuracy-at-lower-cost-2307.02715"/></url>
<url><loc>https://scifaro.com/en/abs/puffin-a-path-unifying-feed-forward-interfaced-network-for-vapor-pressure-prediction-2307.02903</loc><lastmod>2023-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/puffin-a-path-unifying-feed-forward-interfaced-network-for-vapor-pressure-prediction-2307.02903"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/puffin-a-path-unifying-feed-forward-interfaced-network-for-vapor-pressure-prediction-2307.02903"/></url>
<url><loc>https://scifaro.com/en/abs/strong-coupling-and-the-c-o-vibrational-bond-2307.02922</loc><lastmod>2023-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-coupling-and-the-c-o-vibrational-bond-2307.02922"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-coupling-and-the-c-o-vibrational-bond-2307.02922"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-simulation-for-atmospheric-reaction-exploration-and-discovery-non-equilibrium-dynamics-roaming-and-glycolaldehyde-formation-following-photo-induced-decomposition-of-syn-acetaldehyde-oxide-2307.02994</loc><lastmod>2023-07-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-simulation-for-atmospheric-reaction-exploration-and-discovery-non-equilibrium-dynamics-roaming-and-glycolaldehyde-formation-following-photo-induced-decomposition-of-syn-acetaldehyde-oxide-2307.02994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-simulation-for-atmospheric-reaction-exploration-and-discovery-non-equilibrium-dynamics-roaming-and-glycolaldehyde-formation-following-photo-induced-decomposition-of-syn-acetaldehyde-oxide-2307.02994"/></url>
<url><loc>https://scifaro.com/en/abs/sub-doppler-optical-optical-double-resonance-spectroscopy-using-a-cavity-enhanced-frequency-comb-probe-2307.03256</loc><lastmod>2024-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sub-doppler-optical-optical-double-resonance-spectroscopy-using-a-cavity-enhanced-frequency-comb-probe-2307.03256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sub-doppler-optical-optical-double-resonance-spectroscopy-using-a-cavity-enhanced-frequency-comb-probe-2307.03256"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-nuclear-polarization-in-battery-materials-2307.03495</loc><lastmod>2023-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-nuclear-polarization-in-battery-materials-2307.03495"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-nuclear-polarization-in-battery-materials-2307.03495"/></url>
<url><loc>https://scifaro.com/en/abs/monitoring-electron-spin-fluctuations-with-paramagnetic-relaxation-enhancement-2307.03702</loc><lastmod>2023-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monitoring-electron-spin-fluctuations-with-paramagnetic-relaxation-enhancement-2307.03702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monitoring-electron-spin-fluctuations-with-paramagnetic-relaxation-enhancement-2307.03702"/></url>
<url><loc>https://scifaro.com/en/abs/a-new-expansion-of-the-coulomb-potential-and-linear-r-ij-terms-2307.03737</loc><lastmod>2023-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-new-expansion-of-the-coulomb-potential-and-linear-r-ij-terms-2307.03737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-new-expansion-of-the-coulomb-potential-and-linear-r-ij-terms-2307.03737"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-solutions-of-the-arrhenius-semenov-problem-for-constant-volume-burn-2307.03862</loc><lastmod>2023-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-solutions-of-the-arrhenius-semenov-problem-for-constant-volume-burn-2307.03862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-solutions-of-the-arrhenius-semenov-problem-for-constant-volume-burn-2307.03862"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-noise-on-inverse-design-the-case-of-nmr-spectra-matching-2307.03969</loc><lastmod>2023-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-noise-on-inverse-design-the-case-of-nmr-spectra-matching-2307.03969"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-noise-on-inverse-design-the-case-of-nmr-spectra-matching-2307.03969"/></url>
<url><loc>https://scifaro.com/en/abs/learning-together-towards-foundational-models-for-machine-learning-interatomic-potentials-with-meta-learning-2307.04012</loc><lastmod>2023-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-together-towards-foundational-models-for-machine-learning-interatomic-potentials-with-meta-learning-2307.04012"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-together-towards-foundational-models-for-machine-learning-interatomic-potentials-with-meta-learning-2307.04012"/></url>
<url><loc>https://scifaro.com/en/abs/ultra-high-temperature-soret-effect-in-a-silicate-melt-sio2-migration-to-cold-side-2307.04289</loc><lastmod>2023-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultra-high-temperature-soret-effect-in-a-silicate-melt-sio2-migration-to-cold-side-2307.04289"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultra-high-temperature-soret-effect-in-a-silicate-melt-sio2-migration-to-cold-side-2307.04289"/></url>
<url><loc>https://scifaro.com/en/abs/the-electronic-structure-of-the-hydrogen-molecule-a-tutorial-exercise-in-classical-and-quantum-computation-2307.04290</loc><lastmod>2025-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-electronic-structure-of-the-hydrogen-molecule-a-tutorial-exercise-in-classical-and-quantum-computation-2307.04290"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-electronic-structure-of-the-hydrogen-molecule-a-tutorial-exercise-in-classical-and-quantum-computation-2307.04290"/></url>
<url><loc>https://scifaro.com/en/abs/hortensia-a-program-package-for-the-simulation-of-nonadiabatic-autoionization-dynamics-in-molecules-2307.04437</loc><lastmod>2023-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hortensia-a-program-package-for-the-simulation-of-nonadiabatic-autoionization-dynamics-in-molecules-2307.04437"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hortensia-a-program-package-for-the-simulation-of-nonadiabatic-autoionization-dynamics-in-molecules-2307.04437"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-estimation-of-transition-rates-as-functions-of-ph-2307.04439</loc><lastmod>2023-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-estimation-of-transition-rates-as-functions-of-ph-2307.04439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-estimation-of-transition-rates-as-functions-of-ph-2307.04439"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-analytic-continuation-gw-calculations-with-a-laplace-transformation-and-natural-auxiliary-functions-2307.04508</loc><lastmod>2023-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-analytic-continuation-gw-calculations-with-a-laplace-transformation-and-natural-auxiliary-functions-2307.04508"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-analytic-continuation-gw-calculations-with-a-laplace-transformation-and-natural-auxiliary-functions-2307.04508"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-normal-modes-analysis-the-case-of-porphyrins-2307.04511</loc><lastmod>2023-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-normal-modes-analysis-the-case-of-porphyrins-2307.04511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-normal-modes-analysis-the-case-of-porphyrins-2307.04511"/></url>
<url><loc>https://scifaro.com/en/abs/a-nonlocal-and-nonlinear-implicit-electrolyte-model-for-plane-wave-density-functional-theory-2307.04551</loc><lastmod>2023-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-nonlocal-and-nonlinear-implicit-electrolyte-model-for-plane-wave-density-functional-theory-2307.04551"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-nonlocal-and-nonlinear-implicit-electrolyte-model-for-plane-wave-density-functional-theory-2307.04551"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-dynamics-of-cn-radical-reactions-with-chloroform-solvent-under-vibrational-strong-coupling-2307.04875</loc><lastmod>2023-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-dynamics-of-cn-radical-reactions-with-chloroform-solvent-under-vibrational-strong-coupling-2307.04875"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-dynamics-of-cn-radical-reactions-with-chloroform-solvent-under-vibrational-strong-coupling-2307.04875"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-methods-for-polariton-chemistry-2307.04881</loc><lastmod>2023-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-methods-for-polariton-chemistry-2307.04881"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-methods-for-polariton-chemistry-2307.04881"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-real-time-methods-2307.05242</loc><lastmod>2023-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-real-time-methods-2307.05242"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-real-time-methods-2307.05242"/></url>
<url><loc>https://scifaro.com/en/abs/mechanism-and-kinetics-of-bacteria-killing-in-a-batch-study-in-presence-of-ag-impregnated-activated-carbon-2307.05311</loc><lastmod>2023-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanism-and-kinetics-of-bacteria-killing-in-a-batch-study-in-presence-of-ag-impregnated-activated-carbon-2307.05311"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanism-and-kinetics-of-bacteria-killing-in-a-batch-study-in-presence-of-ag-impregnated-activated-carbon-2307.05311"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-small-molecules-solubilities-on-endpoint-devices-using-deep-ensemble-neural-networks-2307.05318</loc><lastmod>2024-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-small-molecules-solubilities-on-endpoint-devices-using-deep-ensemble-neural-networks-2307.05318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-small-molecules-solubilities-on-endpoint-devices-using-deep-ensemble-neural-networks-2307.05318"/></url>
<url><loc>https://scifaro.com/en/abs/a-quasi-time-reversible-scheme-based-on-density-matrix-extrapolation-on-the-grassmann-manifold-for-born-oppenheimer-molecular-dynamics-2307.05653</loc><lastmod>2023-07-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-quasi-time-reversible-scheme-based-on-density-matrix-extrapolation-on-the-grassmann-manifold-for-born-oppenheimer-molecular-dynamics-2307.05653"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-quasi-time-reversible-scheme-based-on-density-matrix-extrapolation-on-the-grassmann-manifold-for-born-oppenheimer-molecular-dynamics-2307.05653"/></url>
<url><loc>https://scifaro.com/en/abs/resetting-metadynamics-2307.06037</loc><lastmod>2023-07-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/resetting-metadynamics-2307.06037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/resetting-metadynamics-2307.06037"/></url>
<url><loc>https://scifaro.com/en/abs/excited-states-of-polonium-iv-electron-correlation-and-spin-orbit-coupling-in-the-po-4-free-ion-and-in-the-bare-and-solvated-pocl5-and-pocl6-2-complexes-2307.06773</loc><lastmod>2023-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-states-of-polonium-iv-electron-correlation-and-spin-orbit-coupling-in-the-po-4-free-ion-and-in-the-bare-and-solvated-pocl5-and-pocl6-2-complexes-2307.06773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-states-of-polonium-iv-electron-correlation-and-spin-orbit-coupling-in-the-po-4-free-ion-and-in-the-bare-and-solvated-pocl5-and-pocl6-2-complexes-2307.06773"/></url>
<url><loc>https://scifaro.com/en/abs/biexcitons-are-bound-in-cspbbr3-perovskite-nanocrystals-2307.06837</loc><lastmod>2023-07-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/biexcitons-are-bound-in-cspbbr3-perovskite-nanocrystals-2307.06837"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/biexcitons-are-bound-in-cspbbr3-perovskite-nanocrystals-2307.06837"/></url>
<url><loc>https://scifaro.com/en/abs/possible-applications-of-dissolution-dynamic-nuclear-polarization-in-conjunction-with-zero-to-ultralow-field-nuclear-magnetic-resonance-2307.06973</loc><lastmod>2023-07-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/possible-applications-of-dissolution-dynamic-nuclear-polarization-in-conjunction-with-zero-to-ultralow-field-nuclear-magnetic-resonance-2307.06973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/possible-applications-of-dissolution-dynamic-nuclear-polarization-in-conjunction-with-zero-to-ultralow-field-nuclear-magnetic-resonance-2307.06973"/></url>
<url><loc>https://scifaro.com/en/abs/complete-reactants-to-products-observation-of-a-gas-phase-chemical-reaction-with-broad-fast-mid-infrared-frequency-combs-2307.07029</loc><lastmod>2023-07-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complete-reactants-to-products-observation-of-a-gas-phase-chemical-reaction-with-broad-fast-mid-infrared-frequency-combs-2307.07029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complete-reactants-to-products-observation-of-a-gas-phase-chemical-reaction-with-broad-fast-mid-infrared-frequency-combs-2307.07029"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learned-molecular-mechanics-force-field-for-the-simulation-of-protein-ligand-systems-and-beyond-2307.07085</loc><lastmod>2024-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learned-molecular-mechanics-force-field-for-the-simulation-of-protein-ligand-systems-and-beyond-2307.07085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learned-molecular-mechanics-force-field-for-the-simulation-of-protein-ligand-systems-and-beyond-2307.07085"/></url>
<url><loc>https://scifaro.com/en/abs/spin-flip-unitary-coupled-cluster-method-toward-accurate-description-of-strong-electron-correlation-on-quantum-computers-2307.07092</loc><lastmod>2023-07-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-flip-unitary-coupled-cluster-method-toward-accurate-description-of-strong-electron-correlation-on-quantum-computers-2307.07092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-flip-unitary-coupled-cluster-method-toward-accurate-description-of-strong-electron-correlation-on-quantum-computers-2307.07092"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-laser-pulses-as-delta-kicks-reevaluating-the-impulsive-limit-in-molecular-rotational-dynamics-2307.07256</loc><lastmod>2023-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-laser-pulses-as-delta-kicks-reevaluating-the-impulsive-limit-in-molecular-rotational-dynamics-2307.07256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-laser-pulses-as-delta-kicks-reevaluating-the-impulsive-limit-in-molecular-rotational-dynamics-2307.07256"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-projected-nuclear-electronic-hartree-fock-eliminating-rotational-energy-contamination-2307.07842</loc><lastmod>2023-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-projected-nuclear-electronic-hartree-fock-eliminating-rotational-energy-contamination-2307.07842"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-projected-nuclear-electronic-hartree-fock-eliminating-rotational-energy-contamination-2307.07842"/></url>
<url><loc>https://scifaro.com/en/abs/when-do-tripdoublet-states-fluoresce-a-theoretical-study-of-copper-ii-porphyrin-2307.07886</loc><lastmod>2023-07-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/when-do-tripdoublet-states-fluoresce-a-theoretical-study-of-copper-ii-porphyrin-2307.07886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/when-do-tripdoublet-states-fluoresce-a-theoretical-study-of-copper-ii-porphyrin-2307.07886"/></url>
<url><loc>https://scifaro.com/en/abs/lambda-abf-simplified-portable-accurate-and-cost-effective-alchemical-free-energy-computations-2307.08006</loc><lastmod>2024-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lambda-abf-simplified-portable-accurate-and-cost-effective-alchemical-free-energy-computations-2307.08006"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lambda-abf-simplified-portable-accurate-and-cost-effective-alchemical-free-energy-computations-2307.08006"/></url>
<url><loc>https://scifaro.com/en/abs/soiciscf-combining-soici-and-iciscf-for-variational-treatment-of-spin-orbit-coupling-2307.08219</loc><lastmod>2023-07-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/soiciscf-combining-soici-and-iciscf-for-variational-treatment-of-spin-orbit-coupling-2307.08219"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/soiciscf-combining-soici-and-iciscf-for-variational-treatment-of-spin-orbit-coupling-2307.08219"/></url>
<url><loc>https://scifaro.com/en/abs/anomalous-dielectrophoretic-transport-of-molecules-in-non-electrolytes-2307.08860</loc><lastmod>2023-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anomalous-dielectrophoretic-transport-of-molecules-in-non-electrolytes-2307.08860"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anomalous-dielectrophoretic-transport-of-molecules-in-non-electrolytes-2307.08860"/></url>
<url><loc>https://scifaro.com/en/abs/combining-x-ray-nano-ct-and-xanes-techniques-for-3d-operando-monitoring-of-lithiation-spatial-composition-evolution-in-nmc-electrode-2307.08871</loc><lastmod>2023-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-x-ray-nano-ct-and-xanes-techniques-for-3d-operando-monitoring-of-lithiation-spatial-composition-evolution-in-nmc-electrode-2307.08871"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-x-ray-nano-ct-and-xanes-techniques-for-3d-operando-monitoring-of-lithiation-spatial-composition-evolution-in-nmc-electrode-2307.08871"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-spin-polarization-and-dynamic-correlation-in-singlet-triplet-gap-inversion-of-heptazine-derivatives-2307.09075</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-spin-polarization-and-dynamic-correlation-in-singlet-triplet-gap-inversion-of-heptazine-derivatives-2307.09075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-spin-polarization-and-dynamic-correlation-in-singlet-triplet-gap-inversion-of-heptazine-derivatives-2307.09075"/></url>
<url><loc>https://scifaro.com/en/abs/interfacial-hot-carrier-collection-controls-plasmonic-chemistry-2307.09324</loc><lastmod>2023-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interfacial-hot-carrier-collection-controls-plasmonic-chemistry-2307.09324"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interfacial-hot-carrier-collection-controls-plasmonic-chemistry-2307.09324"/></url>
<url><loc>https://scifaro.com/en/abs/variational-monte-carlo-on-a-budget-fine-tuning-pre-trained-neural-wavefunctions-2307.09337</loc><lastmod>2023-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-monte-carlo-on-a-budget-fine-tuning-pre-trained-neural-wavefunctions-2307.09337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-monte-carlo-on-a-budget-fine-tuning-pre-trained-neural-wavefunctions-2307.09337"/></url>
<url><loc>https://scifaro.com/en/abs/stark-control-of-electrons-across-the-molecule-semiconductor-interface-2307.09430</loc><lastmod>2023-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stark-control-of-electrons-across-the-molecule-semiconductor-interface-2307.09430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stark-control-of-electrons-across-the-molecule-semiconductor-interface-2307.09430"/></url>
<url><loc>https://scifaro.com/en/abs/solvation-structures-and-ion-dynamics-of-cacl-2-aqueous-electrolytes-using-metadynamics-and-machine-learning-molecular-dynamics-simulations-2307.09565</loc><lastmod>2023-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvation-structures-and-ion-dynamics-of-cacl-2-aqueous-electrolytes-using-metadynamics-and-machine-learning-molecular-dynamics-simulations-2307.09565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvation-structures-and-ion-dynamics-of-cacl-2-aqueous-electrolytes-using-metadynamics-and-machine-learning-molecular-dynamics-simulations-2307.09565"/></url>
<url><loc>https://scifaro.com/en/abs/translation-rotation-coupling-and-the-kinematics-of-non-slip-boundary-conditions-a-rough-sphere-between-two-sliding-walls-2307.09694</loc><lastmod>2023-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/translation-rotation-coupling-and-the-kinematics-of-non-slip-boundary-conditions-a-rough-sphere-between-two-sliding-walls-2307.09694"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/translation-rotation-coupling-and-the-kinematics-of-non-slip-boundary-conditions-a-rough-sphere-between-two-sliding-walls-2307.09694"/></url>
<url><loc>https://scifaro.com/en/abs/greater-transferability-and-accuracy-of-norm-conserving-pseudopotentials-using-nonlinear-core-corrections-2307.09717</loc><lastmod>2023-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/greater-transferability-and-accuracy-of-norm-conserving-pseudopotentials-using-nonlinear-core-corrections-2307.09717"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/greater-transferability-and-accuracy-of-norm-conserving-pseudopotentials-using-nonlinear-core-corrections-2307.09717"/></url>
<url><loc>https://scifaro.com/en/abs/a-theoretical-investigation-of-the-grand-and-the-canonical-potential-energy-surface-the-interplay-between-electronic-and-geometric-response-at-electrified-interfaces-2307.09817</loc><lastmod>2023-07-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-theoretical-investigation-of-the-grand-and-the-canonical-potential-energy-surface-the-interplay-between-electronic-and-geometric-response-at-electrified-interfaces-2307.09817"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-theoretical-investigation-of-the-grand-and-the-canonical-potential-energy-surface-the-interplay-between-electronic-and-geometric-response-at-electrified-interfaces-2307.09817"/></url>
<url><loc>https://scifaro.com/en/abs/massively-parallel-quantum-chemistry-pfas-on-over-1-million-cloud-vcpus-2307.10675</loc><lastmod>2023-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/massively-parallel-quantum-chemistry-pfas-on-over-1-million-cloud-vcpus-2307.10675"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/massively-parallel-quantum-chemistry-pfas-on-over-1-million-cloud-vcpus-2307.10675"/></url>
<url><loc>https://scifaro.com/en/abs/dc-dft-for-open-shells-how-to-deal-with-spin-contamination-2307.10734</loc><lastmod>2023-07-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dc-dft-for-open-shells-how-to-deal-with-spin-contamination-2307.10734"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dc-dft-for-open-shells-how-to-deal-with-spin-contamination-2307.10734"/></url>
<url><loc>https://scifaro.com/en/abs/reaxff-simulations-of-self-assembled-monolayers-on-silver-surfaces-and-nanocrystals-2307.10858</loc><lastmod>2024-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaxff-simulations-of-self-assembled-monolayers-on-silver-surfaces-and-nanocrystals-2307.10858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaxff-simulations-of-self-assembled-monolayers-on-silver-surfaces-and-nanocrystals-2307.10858"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-free-energies-rates-and-mechanisms-from-data-efficient-path-sampling-simulations-2307.11240</loc><lastmod>2023-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-free-energies-rates-and-mechanisms-from-data-efficient-path-sampling-simulations-2307.11240"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-free-energies-rates-and-mechanisms-from-data-efficient-path-sampling-simulations-2307.11240"/></url>
<url><loc>https://scifaro.com/en/abs/grand-canonical-molecular-dynamics-simulations-powered-by-a-hybrid-4d-nonequilibrium-md-mc-method-implementation-in-lammps-and-applications-to-electrolyte-solutions-2307.11447</loc><lastmod>2023-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/grand-canonical-molecular-dynamics-simulations-powered-by-a-hybrid-4d-nonequilibrium-md-mc-method-implementation-in-lammps-and-applications-to-electrolyte-solutions-2307.11447"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/grand-canonical-molecular-dynamics-simulations-powered-by-a-hybrid-4d-nonequilibrium-md-mc-method-implementation-in-lammps-and-applications-to-electrolyte-solutions-2307.11447"/></url>
<url><loc>https://scifaro.com/en/abs/a-versatile-platform-for-gas-phase-molecular-polaritonics-2307.11907</loc><lastmod>2023-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-versatile-platform-for-gas-phase-molecular-polaritonics-2307.11907"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-versatile-platform-for-gas-phase-molecular-polaritonics-2307.11907"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transfer-via-temporary-bonds-in-c-60-c-60-molecular-collisions-2307.11912</loc><lastmod>2023-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transfer-via-temporary-bonds-in-c-60-c-60-molecular-collisions-2307.11912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transfer-via-temporary-bonds-in-c-60-c-60-molecular-collisions-2307.11912"/></url>
<url><loc>https://scifaro.com/en/abs/non-destructive-inelastic-recoil-spectroscopy-of-a-single-molecular-ion-a-versatile-tool-toward-precision-action-spectroscopy-2307.11977</loc><lastmod>2023-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-destructive-inelastic-recoil-spectroscopy-of-a-single-molecular-ion-a-versatile-tool-toward-precision-action-spectroscopy-2307.11977"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-destructive-inelastic-recoil-spectroscopy-of-a-single-molecular-ion-a-versatile-tool-toward-precision-action-spectroscopy-2307.11977"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-kinetics-with-time-reversal-path-sampling-2307.12214</loc><lastmod>2023-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-kinetics-with-time-reversal-path-sampling-2307.12214"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-kinetics-with-time-reversal-path-sampling-2307.12214"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-driven-global-tetra-atomic-potential-energy-surfaces-application-to-the-alf-dimer-2307.12416</loc><lastmod>2023-10-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-driven-global-tetra-atomic-potential-energy-surfaces-application-to-the-alf-dimer-2307.12416"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-driven-global-tetra-atomic-potential-energy-surfaces-application-to-the-alf-dimer-2307.12416"/></url>
<url><loc>https://scifaro.com/en/abs/the-ro-vibrational-nu-2-mode-spectrum-of-methane-investigated-by-ultrabroadband-coherent-raman-spectroscopy-2307.12740</loc><lastmod>2023-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-ro-vibrational-nu-2-mode-spectrum-of-methane-investigated-by-ultrabroadband-coherent-raman-spectroscopy-2307.12740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-ro-vibrational-nu-2-mode-spectrum-of-methane-investigated-by-ultrabroadband-coherent-raman-spectroscopy-2307.12740"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-quantum-coherences-mediating-primary-charge-transfer-processes-in-photosystem-ii-reaction-center-2307.12805</loc><lastmod>2023-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-quantum-coherences-mediating-primary-charge-transfer-processes-in-photosystem-ii-reaction-center-2307.12805"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-quantum-coherences-mediating-primary-charge-transfer-processes-in-photosystem-ii-reaction-center-2307.12805"/></url>
<url><loc>https://scifaro.com/en/abs/vibrational-heat-bath-configuration-interaction-with-semistochastic-perturbation-theory-using-harmonic-oscillator-or-vscf-modals-2307.13246</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-heat-bath-configuration-interaction-with-semistochastic-perturbation-theory-using-harmonic-oscillator-or-vscf-modals-2307.13246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-heat-bath-configuration-interaction-with-semistochastic-perturbation-theory-using-harmonic-oscillator-or-vscf-modals-2307.13246"/></url>
<url><loc>https://scifaro.com/en/abs/the-valence-and-rydberg-states-of-difluoromethane-a-combined-experimental-vacuum-ultraviolet-spectrum-absorption-and-theoretical-study-by-ab-initio-configuration-interaction-and-density-functional-computations-2307.13354</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-valence-and-rydberg-states-of-difluoromethane-a-combined-experimental-vacuum-ultraviolet-spectrum-absorption-and-theoretical-study-by-ab-initio-configuration-interaction-and-density-functional-computations-2307.13354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-valence-and-rydberg-states-of-difluoromethane-a-combined-experimental-vacuum-ultraviolet-spectrum-absorption-and-theoretical-study-by-ab-initio-configuration-interaction-and-density-functional-computations-2307.13354"/></url>
<url><loc>https://scifaro.com/en/abs/vibronic-dynamics-in-electron-continuum-iterative-solvers-2307.13483</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibronic-dynamics-in-electron-continuum-iterative-solvers-2307.13483"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibronic-dynamics-in-electron-continuum-iterative-solvers-2307.13483"/></url>
<url><loc>https://scifaro.com/en/abs/single-reference-treatment-of-strongly-correlated-h-4-and-h-10-isomers-with-richardson-gaudin-states-2307.13690</loc><lastmod>2023-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/single-reference-treatment-of-strongly-correlated-h-4-and-h-10-isomers-with-richardson-gaudin-states-2307.13690"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/single-reference-treatment-of-strongly-correlated-h-4-and-h-10-isomers-with-richardson-gaudin-states-2307.13690"/></url>
<url><loc>https://scifaro.com/en/abs/deepqmc-an-open-source-software-suite-for-variational-optimization-of-deep-learning-molecular-wave-functions-2307.14123</loc><lastmod>2023-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deepqmc-an-open-source-software-suite-for-variational-optimization-of-deep-learning-molecular-wave-functions-2307.14123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deepqmc-an-open-source-software-suite-for-variational-optimization-of-deep-learning-molecular-wave-functions-2307.14123"/></url>
<url><loc>https://scifaro.com/en/abs/franck-condon-simulation-of-vibrationally-resolved-x-ray-spectra-for-diatomic-systems-validation-of-harmonic-approximation-and-density-functional-theory-2307.14207</loc><lastmod>2025-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/franck-condon-simulation-of-vibrationally-resolved-x-ray-spectra-for-diatomic-systems-validation-of-harmonic-approximation-and-density-functional-theory-2307.14207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/franck-condon-simulation-of-vibrationally-resolved-x-ray-spectra-for-diatomic-systems-validation-of-harmonic-approximation-and-density-functional-theory-2307.14207"/></url>
<url><loc>https://scifaro.com/en/abs/giant-conductance-of-pss-pedot-micro-surfaces-induced-by-microbubble-lithography-2307.14231</loc><lastmod>2023-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/giant-conductance-of-pss-pedot-micro-surfaces-induced-by-microbubble-lithography-2307.14231"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/giant-conductance-of-pss-pedot-micro-surfaces-induced-by-microbubble-lithography-2307.14231"/></url>
<url><loc>https://scifaro.com/en/abs/casscf-response-equations-revisited-a-simple-and-efficient-iterative-algorithm-2307.14257</loc><lastmod>2023-07-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/casscf-response-equations-revisited-a-simple-and-efficient-iterative-algorithm-2307.14257"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/casscf-response-equations-revisited-a-simple-and-efficient-iterative-algorithm-2307.14257"/></url>
<url><loc>https://scifaro.com/en/abs/formulation-and-implementation-of-frequency-dependent-linear-response-properties-with-relativistic-coupled-cluster-theory-for-gpu-accelerated-computer-architectures-2307.14296</loc><lastmod>2024-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formulation-and-implementation-of-frequency-dependent-linear-response-properties-with-relativistic-coupled-cluster-theory-for-gpu-accelerated-computer-architectures-2307.14296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formulation-and-implementation-of-frequency-dependent-linear-response-properties-with-relativistic-coupled-cluster-theory-for-gpu-accelerated-computer-architectures-2307.14296"/></url>
<url><loc>https://scifaro.com/en/abs/post-ccsd-t-corrections-to-bond-distances-and-vibrational-frequencies-the-power-of-lambda-2307.14694</loc><lastmod>2024-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/post-ccsd-t-corrections-to-bond-distances-and-vibrational-frequencies-the-power-of-lambda-2307.14694"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/post-ccsd-t-corrections-to-bond-distances-and-vibrational-frequencies-the-power-of-lambda-2307.14694"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-polaritonic-ground-state-in-cavity-quantum-electrodynamics-2307.14822</loc><lastmod>2023-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-polaritonic-ground-state-in-cavity-quantum-electrodynamics-2307.14822"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-polaritonic-ground-state-in-cavity-quantum-electrodynamics-2307.14822"/></url>
<url><loc>https://scifaro.com/en/abs/a-comprehensive-guide-for-measuring-total-vanadium-concentration-and-state-of-charge-of-vanadium-electrolytes-using-uv-visible-spectroscopy-2307.15009</loc><lastmod>2023-07-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comprehensive-guide-for-measuring-total-vanadium-concentration-and-state-of-charge-of-vanadium-electrolytes-using-uv-visible-spectroscopy-2307.15009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comprehensive-guide-for-measuring-total-vanadium-concentration-and-state-of-charge-of-vanadium-electrolytes-using-uv-visible-spectroscopy-2307.15009"/></url>
<url><loc>https://scifaro.com/en/abs/spin-coupling-effect-on-geometry-dependent-x-ray-absorption-of-diradicals-2307.15207</loc><lastmod>2023-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-coupling-effect-on-geometry-dependent-x-ray-absorption-of-diradicals-2307.15207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-coupling-effect-on-geometry-dependent-x-ray-absorption-of-diradicals-2307.15207"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-modeling-of-interfacial-properties-of-the-hydrogen-water-decane-mixture-in-three-phase-equilibrium-2307.15356</loc><lastmod>2023-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-modeling-of-interfacial-properties-of-the-hydrogen-water-decane-mixture-in-three-phase-equilibrium-2307.15356"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-modeling-of-interfacial-properties-of-the-hydrogen-water-decane-mixture-in-three-phase-equilibrium-2307.15356"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-importance-and-challenges-of-modelling-extraterrestrial-photopigments-via-density-functional-theory-2307.15536</loc><lastmod>2023-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-importance-and-challenges-of-modelling-extraterrestrial-photopigments-via-density-functional-theory-2307.15536"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-importance-and-challenges-of-modelling-extraterrestrial-photopigments-via-density-functional-theory-2307.15536"/></url>
<url><loc>https://scifaro.com/en/abs/evolutionary-monte-carlo-of-qm-properties-in-chemical-space-electrolyte-design-2307.15563</loc><lastmod>2023-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evolutionary-monte-carlo-of-qm-properties-in-chemical-space-electrolyte-design-2307.15563"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evolutionary-monte-carlo-of-qm-properties-in-chemical-space-electrolyte-design-2307.15563"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-anomalous-diffusion-of-water-in-aqueous-electrolytes-using-machine-learned-potentials-2307.15576</loc><lastmod>2023-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-anomalous-diffusion-of-water-in-aqueous-electrolytes-using-machine-learned-potentials-2307.15576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-anomalous-diffusion-of-water-in-aqueous-electrolytes-using-machine-learned-potentials-2307.15576"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-approach-for-coupled-quantum-dynamics-of-electrons-and-protons-in-heterogeneous-systems-2307.15598</loc><lastmod>2023-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-approach-for-coupled-quantum-dynamics-of-electrons-and-protons-in-heterogeneous-systems-2307.15598"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-approach-for-coupled-quantum-dynamics-of-electrons-and-protons-in-heterogeneous-systems-2307.15598"/></url>
<url><loc>https://scifaro.com/en/abs/lessons-in-reproducibility-insights-from-nlp-studies-in-materials-science-2307.15759</loc><lastmod>2023-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lessons-in-reproducibility-insights-from-nlp-studies-in-materials-science-2307.15759"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lessons-in-reproducibility-insights-from-nlp-studies-in-materials-science-2307.15759"/></url>
<url><loc>https://scifaro.com/en/abs/electron-thermalization-length-in-solid-para-hydrogen-at-low-temperature-2307.15963</loc><lastmod>2024-03-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-thermalization-length-in-solid-para-hydrogen-at-low-temperature-2307.15963"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-thermalization-length-in-solid-para-hydrogen-at-low-temperature-2307.15963"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-expansion-and-compression-of-polymeric-materials-2307.16146</loc><lastmod>2023-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-expansion-and-compression-of-polymeric-materials-2307.16146"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-expansion-and-compression-of-polymeric-materials-2307.16146"/></url>
<url><loc>https://scifaro.com/en/abs/automated-preparation-of-nanoscopic-structures-graph-based-sequence-analysis-mismatch-detection-and-ph-consistent-protonation-with-uncertainty-estimates-2307.16344</loc><lastmod>2024-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automated-preparation-of-nanoscopic-structures-graph-based-sequence-analysis-mismatch-detection-and-ph-consistent-protonation-with-uncertainty-estimates-2307.16344"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automated-preparation-of-nanoscopic-structures-graph-based-sequence-analysis-mismatch-detection-and-ph-consistent-protonation-with-uncertainty-estimates-2307.16344"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-hessian-matrices-from-a-machine-learning-random-forest-regression-algorithm-2307.16512</loc><lastmod>2024-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-hessian-matrices-from-a-machine-learning-random-forest-regression-algorithm-2307.16512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-hessian-matrices-from-a-machine-learning-random-forest-regression-algorithm-2307.16512"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-dynamics-in-coarse-grained-models-iii-roles-of-rotational-motion-and-translation-rotation-coupling-in-coarse-grained-dynamics-2307.16747</loc><lastmod>2023-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-dynamics-in-coarse-grained-models-iii-roles-of-rotational-motion-and-translation-rotation-coupling-in-coarse-grained-dynamics-2307.16747"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-dynamics-in-coarse-grained-models-iii-roles-of-rotational-motion-and-translation-rotation-coupling-in-coarse-grained-dynamics-2307.16747"/></url>
<url><loc>https://scifaro.com/en/abs/confidence-interval-and-uncertainty-propagation-analysis-of-saft-type-equations-of-state-2308.00171</loc><lastmod>2025-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/confidence-interval-and-uncertainty-propagation-analysis-of-saft-type-equations-of-state-2308.00171"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/confidence-interval-and-uncertainty-propagation-analysis-of-saft-type-equations-of-state-2308.00171"/></url>
<url><loc>https://scifaro.com/en/abs/autonomous-data-extraction-from-peer-reviewed-literature-for-training-machine-learning-models-of-oxidation-potentials-2308.00389</loc><lastmod>2023-08-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autonomous-data-extraction-from-peer-reviewed-literature-for-training-machine-learning-models-of-oxidation-potentials-2308.00389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autonomous-data-extraction-from-peer-reviewed-literature-for-training-machine-learning-models-of-oxidation-potentials-2308.00389"/></url>
<url><loc>https://scifaro.com/en/abs/reduced-scaling-real-time-coupled-cluster-theory-2308.01664</loc><lastmod>2023-08-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reduced-scaling-real-time-coupled-cluster-theory-2308.01664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reduced-scaling-real-time-coupled-cluster-theory-2308.01664"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-metal-electrolyte-interfaces-under-potential-control-2308.01740</loc><lastmod>2023-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-metal-electrolyte-interfaces-under-potential-control-2308.01740"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-metal-electrolyte-interfaces-under-potential-control-2308.01740"/></url>
<url><loc>https://scifaro.com/en/abs/bond-dissociation-dynamics-of-single-molecules-on-ag-111-2308.02091</loc><lastmod>2023-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bond-dissociation-dynamics-of-single-molecules-on-ag-111-2308.02091"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bond-dissociation-dynamics-of-single-molecules-on-ag-111-2308.02091"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dynamical-approach-to-predicting-the-optical-pumping-threshold-for-lasing-in-organic-materials-2308.02447</loc><lastmod>2023-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamical-approach-to-predicting-the-optical-pumping-threshold-for-lasing-in-organic-materials-2308.02447"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamical-approach-to-predicting-the-optical-pumping-threshold-for-lasing-in-organic-materials-2308.02447"/></url>
<url><loc>https://scifaro.com/en/abs/libmbd-a-general-purpose-package-for-scalable-quantum-many-body-dispersion-calculations-2308.03140</loc><lastmod>2023-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/libmbd-a-general-purpose-package-for-scalable-quantum-many-body-dispersion-calculations-2308.03140"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/libmbd-a-general-purpose-package-for-scalable-quantum-many-body-dispersion-calculations-2308.03140"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-gradient-approximation-made-thermal-2308.03319</loc><lastmod>2023-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-gradient-approximation-made-thermal-2308.03319"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-gradient-approximation-made-thermal-2308.03319"/></url>
<url><loc>https://scifaro.com/en/abs/the-cycling-mechanism-of-manganese-oxide-cathodes-in-zinc-batteries-a-theory-based-approach-2308.03352</loc><lastmod>2023-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-cycling-mechanism-of-manganese-oxide-cathodes-in-zinc-batteries-a-theory-based-approach-2308.03352"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-cycling-mechanism-of-manganese-oxide-cathodes-in-zinc-batteries-a-theory-based-approach-2308.03352"/></url>
<url><loc>https://scifaro.com/en/abs/modification-of-thermal-chemical-rates-in-a-cavity-via-resonant-effects-in-the-collective-regime-2308.03609</loc><lastmod>2023-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modification-of-thermal-chemical-rates-in-a-cavity-via-resonant-effects-in-the-collective-regime-2308.03609"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modification-of-thermal-chemical-rates-in-a-cavity-via-resonant-effects-in-the-collective-regime-2308.03609"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-hydrogen-bonding-to-water-can-explain-the-outstanding-solubility-of-b-eta-d-glucose-in-water-2308.03653</loc><lastmod>2024-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-hydrogen-bonding-to-water-can-explain-the-outstanding-solubility-of-b-eta-d-glucose-in-water-2308.03653"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-hydrogen-bonding-to-water-can-explain-the-outstanding-solubility-of-b-eta-d-glucose-in-water-2308.03653"/></url>
<url><loc>https://scifaro.com/en/abs/trapping-and-sympathetic-cooling-of-conformationally-selected-molecular-ions-2308.03935</loc><lastmod>2023-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/trapping-and-sympathetic-cooling-of-conformationally-selected-molecular-ions-2308.03935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/trapping-and-sympathetic-cooling-of-conformationally-selected-molecular-ions-2308.03935"/></url>
<url><loc>https://scifaro.com/en/abs/investigating-dissociation-pathways-of-nitrobenzene-via-mega-electron-volt-ultrafast-electron-diffraction-2308.03996</loc><lastmod>2023-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigating-dissociation-pathways-of-nitrobenzene-via-mega-electron-volt-ultrafast-electron-diffraction-2308.03996"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigating-dissociation-pathways-of-nitrobenzene-via-mega-electron-volt-ultrafast-electron-diffraction-2308.03996"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-metholodgy-shows-molecular-interactions-protect-2d-polaritons-2308.04385</loc><lastmod>2024-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-metholodgy-shows-molecular-interactions-protect-2d-polaritons-2308.04385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-metholodgy-shows-molecular-interactions-protect-2d-polaritons-2308.04385"/></url>
<url><loc>https://scifaro.com/en/abs/selective-activation-of-aromatic-c-h-bonds-catalyzed-by-single-gold-atoms-at-room-temperature-2308.04658</loc><lastmod>2023-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selective-activation-of-aromatic-c-h-bonds-catalyzed-by-single-gold-atoms-at-room-temperature-2308.04658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selective-activation-of-aromatic-c-h-bonds-catalyzed-by-single-gold-atoms-at-room-temperature-2308.04658"/></url>
<url><loc>https://scifaro.com/en/abs/simplification-of-the-fermi-l-owdin-self-interaction-correction-method-for-efficient-self-interaction-free-density-functional-calculations-2308.04664</loc><lastmod>2025-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simplification-of-the-fermi-l-owdin-self-interaction-correction-method-for-efficient-self-interaction-free-density-functional-calculations-2308.04664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simplification-of-the-fermi-l-owdin-self-interaction-correction-method-for-efficient-self-interaction-free-density-functional-calculations-2308.04664"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-nature-of-vibro-polaritonic-states-in-water-and-heavy-water-2308.04777</loc><lastmod>2023-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-nature-of-vibro-polaritonic-states-in-water-and-heavy-water-2308.04777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-nature-of-vibro-polaritonic-states-in-water-and-heavy-water-2308.04777"/></url>
<url><loc>https://scifaro.com/en/abs/electrofreezing-of-liquid-water-at-ambient-conditions-2308.04893</loc><lastmod>2023-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrofreezing-of-liquid-water-at-ambient-conditions-2308.04893"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrofreezing-of-liquid-water-at-ambient-conditions-2308.04893"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-ligand-to-metal-charge-transfer-states-in-the-photo-ferrioxalate-system-using-excited-state-specific-optimization-2308.04932</loc><lastmod>2023-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-ligand-to-metal-charge-transfer-states-in-the-photo-ferrioxalate-system-using-excited-state-specific-optimization-2308.04932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-ligand-to-metal-charge-transfer-states-in-the-photo-ferrioxalate-system-using-excited-state-specific-optimization-2308.04932"/></url>
<url><loc>https://scifaro.com/en/abs/coupling-liquid-electrochemical-tem-and-mass-spectrometry-to-investigate-electrochemical-reactions-occurring-in-a-na-ion-battery-anode-2308.04981</loc><lastmod>2023-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupling-liquid-electrochemical-tem-and-mass-spectrometry-to-investigate-electrochemical-reactions-occurring-in-a-na-ion-battery-anode-2308.04981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupling-liquid-electrochemical-tem-and-mass-spectrometry-to-investigate-electrochemical-reactions-occurring-in-a-na-ion-battery-anode-2308.04981"/></url>
<url><loc>https://scifaro.com/en/abs/high-energy-nitrogen-rings-stabilized-by-superatom-properties-2308.05023</loc><lastmod>2023-08-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-energy-nitrogen-rings-stabilized-by-superatom-properties-2308.05023"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-energy-nitrogen-rings-stabilized-by-superatom-properties-2308.05023"/></url>
<url><loc>https://scifaro.com/en/abs/pulse-sequences-to-observe-nmr-coupled-relaxation-in-axn-spin-systems-2308.05108</loc><lastmod>2026-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pulse-sequences-to-observe-nmr-coupled-relaxation-in-axn-spin-systems-2308.05108"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pulse-sequences-to-observe-nmr-coupled-relaxation-in-axn-spin-systems-2308.05108"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-of-electrochemical-oxide-film-growth-impact-of-band-to-band-tunneling-2308.05113</loc><lastmod>2023-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-of-electrochemical-oxide-film-growth-impact-of-band-to-band-tunneling-2308.05113"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-of-electrochemical-oxide-film-growth-impact-of-band-to-band-tunneling-2308.05113"/></url>
<url><loc>https://scifaro.com/en/abs/absorption-of-carbon-dioxide-in-kerogen-nanopores-a-mechanism-study-using-the-molecular-dynamics-monte-carlo-method-2308.05116</loc><lastmod>2023-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absorption-of-carbon-dioxide-in-kerogen-nanopores-a-mechanism-study-using-the-molecular-dynamics-monte-carlo-method-2308.05116"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absorption-of-carbon-dioxide-in-kerogen-nanopores-a-mechanism-study-using-the-molecular-dynamics-monte-carlo-method-2308.05116"/></url>
<url><loc>https://scifaro.com/en/abs/vibronic-state-specific-modelling-of-high-speed-nitrogen-shocked-flows-part-i-kinetic-database-2308.05144</loc><lastmod>2023-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibronic-state-specific-modelling-of-high-speed-nitrogen-shocked-flows-part-i-kinetic-database-2308.05144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibronic-state-specific-modelling-of-high-speed-nitrogen-shocked-flows-part-i-kinetic-database-2308.05144"/></url>
<url><loc>https://scifaro.com/en/abs/exceptional-spatial-variation-of-charge-injection-energies-on-plasmonic-surfaces-2308.05297</loc><lastmod>2023-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exceptional-spatial-variation-of-charge-injection-energies-on-plasmonic-surfaces-2308.05297"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exceptional-spatial-variation-of-charge-injection-energies-on-plasmonic-surfaces-2308.05297"/></url>
<url><loc>https://scifaro.com/en/abs/liquid-metal-molecular-scissors-2308.05383</loc><lastmod>2023-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/liquid-metal-molecular-scissors-2308.05383"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/liquid-metal-molecular-scissors-2308.05383"/></url>
<url><loc>https://scifaro.com/en/abs/non-aqueous-ion-pairing-exemplifies-the-case-for-including-electronic-polarization-in-molecular-dynamics-simulations-2308.05482</loc><lastmod>2023-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-aqueous-ion-pairing-exemplifies-the-case-for-including-electronic-polarization-in-molecular-dynamics-simulations-2308.05482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-aqueous-ion-pairing-exemplifies-the-case-for-including-electronic-polarization-in-molecular-dynamics-simulations-2308.05482"/></url>
<url><loc>https://scifaro.com/en/abs/response-properties-in-phaseless-auxiliary-field-quantum-monte-carlo-2308.05530</loc><lastmod>2023-08-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/response-properties-in-phaseless-auxiliary-field-quantum-monte-carlo-2308.05530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/response-properties-in-phaseless-auxiliary-field-quantum-monte-carlo-2308.05530"/></url>
<url><loc>https://scifaro.com/en/abs/practical-guide-to-the-statistical-mechanics-of-molecular-polaritons-2308.05610</loc><lastmod>2023-10-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/practical-guide-to-the-statistical-mechanics-of-molecular-polaritons-2308.05610"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/practical-guide-to-the-statistical-mechanics-of-molecular-polaritons-2308.05610"/></url>
<url><loc>https://scifaro.com/en/abs/introducing-hybrid-modeling-with-time-series-transformers-a-comparative-study-of-series-and-parallel-approach-in-batch-crystallization-2308.05749</loc><lastmod>2023-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/introducing-hybrid-modeling-with-time-series-transformers-a-comparative-study-of-series-and-parallel-approach-in-batch-crystallization-2308.05749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/introducing-hybrid-modeling-with-time-series-transformers-a-comparative-study-of-series-and-parallel-approach-in-batch-crystallization-2308.05749"/></url>
<url><loc>https://scifaro.com/en/abs/data-driven-classification-of-ligand-unbinding-pathways-2308.05752</loc><lastmod>2023-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/data-driven-classification-of-ligand-unbinding-pathways-2308.05752"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/data-driven-classification-of-ligand-unbinding-pathways-2308.05752"/></url>
<url><loc>https://scifaro.com/en/abs/magnetic-optical-rotation-from-real-time-simulations-in-finite-magnetic-fields-2308.06003</loc><lastmod>2024-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetic-optical-rotation-from-real-time-simulations-in-finite-magnetic-fields-2308.06003"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetic-optical-rotation-from-real-time-simulations-in-finite-magnetic-fields-2308.06003"/></url>
<url><loc>https://scifaro.com/en/abs/can-g4-like-composite-ab-initio-methods-accurately-predict-vibrational-harmonic-frequencies-2308.06079</loc><lastmod>2024-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-g4-like-composite-ab-initio-methods-accurately-predict-vibrational-harmonic-frequencies-2308.06079"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-g4-like-composite-ab-initio-methods-accurately-predict-vibrational-harmonic-frequencies-2308.06079"/></url>
<url><loc>https://scifaro.com/en/abs/is-valence-ccsd-t-enough-for-the-binding-of-water-clusters-the-isomers-of-h-2-o-6-and-h-2-o-20-as-a-case-study-2308.06120</loc><lastmod>2023-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-valence-ccsd-t-enough-for-the-binding-of-water-clusters-the-isomers-of-h-2-o-6-and-h-2-o-20-as-a-case-study-2308.06120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-valence-ccsd-t-enough-for-the-binding-of-water-clusters-the-isomers-of-h-2-o-6-and-h-2-o-20-as-a-case-study-2308.06120"/></url>
<url><loc>https://scifaro.com/en/abs/strong-coupling-to-circularly-polarized-photons-towards-field-induced-enantioselectivity-2308.06181</loc><lastmod>2023-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-coupling-to-circularly-polarized-photons-towards-field-induced-enantioselectivity-2308.06181"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-coupling-to-circularly-polarized-photons-towards-field-induced-enantioselectivity-2308.06181"/></url>
<url><loc>https://scifaro.com/en/abs/the-nonlinear-physical-aging-susceptibility-of-a-glass-forming-melt-2308.06238</loc><lastmod>2023-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-nonlinear-physical-aging-susceptibility-of-a-glass-forming-melt-2308.06238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-nonlinear-physical-aging-susceptibility-of-a-glass-forming-melt-2308.06238"/></url>
<url><loc>https://scifaro.com/en/abs/developing-machine-learned-potentials-to-simultaneously-capture-the-dynamics-of-excess-protons-and-hydroxide-ions-in-classical-and-path-integral-simulations-2308.06348</loc><lastmod>2023-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/developing-machine-learned-potentials-to-simultaneously-capture-the-dynamics-of-excess-protons-and-hydroxide-ions-in-classical-and-path-integral-simulations-2308.06348"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/developing-machine-learned-potentials-to-simultaneously-capture-the-dynamics-of-excess-protons-and-hydroxide-ions-in-classical-and-path-integral-simulations-2308.06348"/></url>
<url><loc>https://scifaro.com/en/abs/fantastical-excited-state-optimized-structures-and-where-to-find-them-2308.06475</loc><lastmod>2023-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fantastical-excited-state-optimized-structures-and-where-to-find-them-2308.06475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fantastical-excited-state-optimized-structures-and-where-to-find-them-2308.06475"/></url>
<url><loc>https://scifaro.com/en/abs/dynamics-of-the-dissociative-electron-attachment-to-ethanol-2308.06662</loc><lastmod>2023-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamics-of-the-dissociative-electron-attachment-to-ethanol-2308.06662"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamics-of-the-dissociative-electron-attachment-to-ethanol-2308.06662"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-for-reduced-models-of-chemical-reactions-by-pea-and-qssa-2308.06770</loc><lastmod>2023-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-for-reduced-models-of-chemical-reactions-by-pea-and-qssa-2308.06770"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-for-reduced-models-of-chemical-reactions-by-pea-and-qssa-2308.06770"/></url>
<url><loc>https://scifaro.com/en/abs/force-field-analysis-software-and-tools-ffast-assessing-machine-learning-force-fields-under-the-microscope-2308.06871</loc><lastmod>2023-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/force-field-analysis-software-and-tools-ffast-assessing-machine-learning-force-fields-under-the-microscope-2308.06871"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/force-field-analysis-software-and-tools-ffast-assessing-machine-learning-force-fields-under-the-microscope-2308.06871"/></url>
<url><loc>https://scifaro.com/en/abs/earth-mover-s-distance-as-a-metric-to-evaluate-the-extent-of-charge-transfer-in-excitations-using-discretized-real-space-densities-2308.07544</loc><lastmod>2023-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/earth-mover-s-distance-as-a-metric-to-evaluate-the-extent-of-charge-transfer-in-excitations-using-discretized-real-space-densities-2308.07544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/earth-mover-s-distance-as-a-metric-to-evaluate-the-extent-of-charge-transfer-in-excitations-using-discretized-real-space-densities-2308.07544"/></url>
<url><loc>https://scifaro.com/en/abs/robust-tensor-hypercontraction-of-the-particle-particle-ladder-term-in-equation-of-motion-coupled-cluster-theory-2308.07569</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-tensor-hypercontraction-of-the-particle-particle-ladder-term-in-equation-of-motion-coupled-cluster-theory-2308.07569"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-tensor-hypercontraction-of-the-particle-particle-ladder-term-in-equation-of-motion-coupled-cluster-theory-2308.07569"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-reaction-mechanism-of-pre-curing-process-of-two-component-adhesive-based-on-deformation-behavior-for-automobile-hood-2308.07713</loc><lastmod>2023-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-reaction-mechanism-of-pre-curing-process-of-two-component-adhesive-based-on-deformation-behavior-for-automobile-hood-2308.07713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-reaction-mechanism-of-pre-curing-process-of-two-component-adhesive-based-on-deformation-behavior-for-automobile-hood-2308.07713"/></url>
<url><loc>https://scifaro.com/en/abs/properties-of-local-electronic-structures-2308.07780</loc><lastmod>2023-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/properties-of-local-electronic-structures-2308.07780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/properties-of-local-electronic-structures-2308.07780"/></url>
<url><loc>https://scifaro.com/en/abs/bound-state-breaking-and-the-importance-of-thermal-exchange-correlation-effects-in-warm-dense-hydrogen-2308.07916</loc><lastmod>2023-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bound-state-breaking-and-the-importance-of-thermal-exchange-correlation-effects-in-warm-dense-hydrogen-2308.07916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bound-state-breaking-and-the-importance-of-thermal-exchange-correlation-effects-in-warm-dense-hydrogen-2308.07916"/></url>
<url><loc>https://scifaro.com/en/abs/architecture-optimization-dramatically-improves-reverse-bias-stability-in-perovskite-solar-cells-a-role-of-polymer-hole-transport-layers-2308.08084</loc><lastmod>2023-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/architecture-optimization-dramatically-improves-reverse-bias-stability-in-perovskite-solar-cells-a-role-of-polymer-hole-transport-layers-2308.08084"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/architecture-optimization-dramatically-improves-reverse-bias-stability-in-perovskite-solar-cells-a-role-of-polymer-hole-transport-layers-2308.08084"/></url>
<url><loc>https://scifaro.com/en/abs/extended-ensemble-molecular-dynamics-for-thermodynamics-of-phases-2308.08098</loc><lastmod>2023-08-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extended-ensemble-molecular-dynamics-for-thermodynamics-of-phases-2308.08098"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extended-ensemble-molecular-dynamics-for-thermodynamics-of-phases-2308.08098"/></url>
<url><loc>https://scifaro.com/en/abs/performance-and-analysis-of-the-alchemical-transfer-method-for-binding-free-energy-predictions-of-diverse-ligands-2308.08671</loc><lastmod>2023-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-and-analysis-of-the-alchemical-transfer-method-for-binding-free-energy-predictions-of-diverse-ligands-2308.08671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-and-analysis-of-the-alchemical-transfer-method-for-binding-free-energy-predictions-of-diverse-ligands-2308.08671"/></url>
<url><loc>https://scifaro.com/en/abs/flexible-dmrg-based-framework-for-anharmonic-vibrational-calculations-2308.08703</loc><lastmod>2023-12-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/flexible-dmrg-based-framework-for-anharmonic-vibrational-calculations-2308.08703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/flexible-dmrg-based-framework-for-anharmonic-vibrational-calculations-2308.08703"/></url>
<url><loc>https://scifaro.com/en/abs/tutorial-how-to-train-a-neural-network-potential-2308.08859</loc><lastmod>2023-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tutorial-how-to-train-a-neural-network-potential-2308.08859"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tutorial-how-to-train-a-neural-network-potential-2308.08859"/></url>
<url><loc>https://scifaro.com/en/abs/spectroscopic-constants-from-atomic-properties-a-machine-learning-approach-2308.08933</loc><lastmod>2023-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectroscopic-constants-from-atomic-properties-a-machine-learning-approach-2308.08933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectroscopic-constants-from-atomic-properties-a-machine-learning-approach-2308.08933"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-classical-machine-learning-force-fields-for-the-accurate-description-of-molecular-condensed-phase-systems-2308.08984</loc><lastmod>2023-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-classical-machine-learning-force-fields-for-the-accurate-description-of-molecular-condensed-phase-systems-2308.08984"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-classical-machine-learning-force-fields-for-the-accurate-description-of-molecular-condensed-phase-systems-2308.08984"/></url>
<url><loc>https://scifaro.com/en/abs/optimal-transport-distances-to-characterise-electronic-excitations-2308.09118</loc><lastmod>2024-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-transport-distances-to-characterise-electronic-excitations-2308.09118"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-transport-distances-to-characterise-electronic-excitations-2308.09118"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-machine-learning-force-fields-via-experimental-and-simulation-data-fusion-2308.09142</loc><lastmod>2024-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-machine-learning-force-fields-via-experimental-and-simulation-data-fusion-2308.09142"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-machine-learning-force-fields-via-experimental-and-simulation-data-fusion-2308.09142"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-calculation-of-transition-dipole-moment-using-four-component-relativistic-equation-of-motion-coupled-cluster-expectation-value-approach-2308.09162</loc><lastmod>2024-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-calculation-of-transition-dipole-moment-using-four-component-relativistic-equation-of-motion-coupled-cluster-expectation-value-approach-2308.09162"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-calculation-of-transition-dipole-moment-using-four-component-relativistic-equation-of-motion-coupled-cluster-expectation-value-approach-2308.09162"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-cavity-on-molecular-ionization-spectra-2308.09184</loc><lastmod>2024-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-cavity-on-molecular-ionization-spectra-2308.09184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-cavity-on-molecular-ionization-spectra-2308.09184"/></url>
<url><loc>https://scifaro.com/en/abs/the-curious-case-of-co-2-dissociation-on-cu-110-2308.09355</loc><lastmod>2024-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-curious-case-of-co-2-dissociation-on-cu-110-2308.09355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-curious-case-of-co-2-dissociation-on-cu-110-2308.09355"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-x-ray-absorption-in-liquid-water-triple-excitations-in-multilevel-coupled-cluster-theory-2308.09495</loc><lastmod>2023-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-x-ray-absorption-in-liquid-water-triple-excitations-in-multilevel-coupled-cluster-theory-2308.09495"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-x-ray-absorption-in-liquid-water-triple-excitations-in-multilevel-coupled-cluster-theory-2308.09495"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-cavity-born-oppenheimer-approximation-for-electronic-strong-coupling-2308.09594</loc><lastmod>2023-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-cavity-born-oppenheimer-approximation-for-electronic-strong-coupling-2308.09594"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-cavity-born-oppenheimer-approximation-for-electronic-strong-coupling-2308.09594"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-the-ultrafast-dynamics-of-thermal-energy-chemical-reactions-2308.09602</loc><lastmod>2023-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-the-ultrafast-dynamics-of-thermal-energy-chemical-reactions-2308.09602"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-the-ultrafast-dynamics-of-thermal-energy-chemical-reactions-2308.09602"/></url>
<url><loc>https://scifaro.com/en/abs/polarization-dependent-intensity-ratios-in-double-resonance-spectroscopy-2308.09828</loc><lastmod>2023-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polarization-dependent-intensity-ratios-in-double-resonance-spectroscopy-2308.09828"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polarization-dependent-intensity-ratios-in-double-resonance-spectroscopy-2308.09828"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-the-calculated-x-x-ro-vibrational-transition-intensities-in-molecular-hydrogen-2308.10085</loc><lastmod>2023-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-the-calculated-x-x-ro-vibrational-transition-intensities-in-molecular-hydrogen-2308.10085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-the-calculated-x-x-ro-vibrational-transition-intensities-in-molecular-hydrogen-2308.10085"/></url>
<url><loc>https://scifaro.com/en/abs/nitrogen-doped-ti-3-c-2-t-x-coated-with-a-molecularly-imprinted-polymer-as-efficient-cathode-material-for-lithium-sulfur-batteries-2308.10139</loc><lastmod>2023-08-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nitrogen-doped-ti-3-c-2-t-x-coated-with-a-molecularly-imprinted-polymer-as-efficient-cathode-material-for-lithium-sulfur-batteries-2308.10139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nitrogen-doped-ti-3-c-2-t-x-coated-with-a-molecularly-imprinted-polymer-as-efficient-cathode-material-for-lithium-sulfur-batteries-2308.10139"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-the-ph-dependent-oxygen-reduction-performance-on-single-atom-catalysts-from-single-to-dual-sabatier-optima-2308.11182</loc><lastmod>2023-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-the-ph-dependent-oxygen-reduction-performance-on-single-atom-catalysts-from-single-to-dual-sabatier-optima-2308.11182"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-the-ph-dependent-oxygen-reduction-performance-on-single-atom-catalysts-from-single-to-dual-sabatier-optima-2308.11182"/></url>
<url><loc>https://scifaro.com/en/abs/semi-empirical-analysis-of-leptons-in-gases-in-crossed-electric-and-magnetic-fields-part-ii-transverse-compression-of-muon-beams-2308.11193</loc><lastmod>2023-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semi-empirical-analysis-of-leptons-in-gases-in-crossed-electric-and-magnetic-fields-part-ii-transverse-compression-of-muon-beams-2308.11193"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semi-empirical-analysis-of-leptons-in-gases-in-crossed-electric-and-magnetic-fields-part-ii-transverse-compression-of-muon-beams-2308.11193"/></url>
<url><loc>https://scifaro.com/en/abs/reducing-training-data-needs-with-minimal-multilevel-machine-learning-m3l-2308.11196</loc><lastmod>2025-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reducing-training-data-needs-with-minimal-multilevel-machine-learning-m3l-2308.11196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reducing-training-data-needs-with-minimal-multilevel-machine-learning-m3l-2308.11196"/></url>
<url><loc>https://scifaro.com/en/abs/many-body-gw-calculations-with-very-large-scale-polarizable-environments-made-affordable-a-fully-ab-initio-qm-qm-approach-2308.11252</loc><lastmod>2024-01-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-body-gw-calculations-with-very-large-scale-polarizable-environments-made-affordable-a-fully-ab-initio-qm-qm-approach-2308.11252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-body-gw-calculations-with-very-large-scale-polarizable-environments-made-affordable-a-fully-ab-initio-qm-qm-approach-2308.11252"/></url>
<url><loc>https://scifaro.com/en/abs/energy-conserving-molecular-dynamics-is-not-energy-conserving-2308.11305</loc><lastmod>2023-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-conserving-molecular-dynamics-is-not-energy-conserving-2308.11305"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-conserving-molecular-dynamics-is-not-energy-conserving-2308.11305"/></url>
<url><loc>https://scifaro.com/en/abs/four-dimensional-spacetime-atomistic-artificial-intelligence-models-2308.11311</loc><lastmod>2023-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/four-dimensional-spacetime-atomistic-artificial-intelligence-models-2308.11311"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/four-dimensional-spacetime-atomistic-artificial-intelligence-models-2308.11311"/></url>
<url><loc>https://scifaro.com/en/abs/using-non-covalent-interactions-to-test-precision-of-projector-augmented-wave-data-sets-2308.12087</loc><lastmod>2023-08-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-non-covalent-interactions-to-test-precision-of-projector-augmented-wave-data-sets-2308.12087"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-non-covalent-interactions-to-test-precision-of-projector-augmented-wave-data-sets-2308.12087"/></url>
<url><loc>https://scifaro.com/en/abs/toward-linear-scaling-auxiliary-field-quantum-monte-carlo-with-local-natural-orbitals-2308.12430</loc><lastmod>2023-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-linear-scaling-auxiliary-field-quantum-monte-carlo-with-local-natural-orbitals-2308.12430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-linear-scaling-auxiliary-field-quantum-monte-carlo-with-local-natural-orbitals-2308.12430"/></url>
<url><loc>https://scifaro.com/en/abs/the-doubles-connected-moments-expansion-a-tractable-approximate-horn-weinstein-approach-for-quantum-chemistry-2308.12633</loc><lastmod>2023-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-doubles-connected-moments-expansion-a-tractable-approximate-horn-weinstein-approach-for-quantum-chemistry-2308.12633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-doubles-connected-moments-expansion-a-tractable-approximate-horn-weinstein-approach-for-quantum-chemistry-2308.12633"/></url>
<url><loc>https://scifaro.com/en/abs/erfonium-a-hooke-atom-with-soft-interaction-potential-2308.12717</loc><lastmod>2024-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/erfonium-a-hooke-atom-with-soft-interaction-potential-2308.12717"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/erfonium-a-hooke-atom-with-soft-interaction-potential-2308.12717"/></url>
<url><loc>https://scifaro.com/en/abs/modified-kirchhoff-s-laws-for-electric-double-layer-charging-in-arbitrary-porous-networks-2308.13100</loc><lastmod>2023-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modified-kirchhoff-s-laws-for-electric-double-layer-charging-in-arbitrary-porous-networks-2308.13100"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modified-kirchhoff-s-laws-for-electric-double-layer-charging-in-arbitrary-porous-networks-2308.13100"/></url>
<url><loc>https://scifaro.com/en/abs/fast-and-accurate-simulations-of-partially-delocalised-charge-separation-in-organic-semiconductors-2308.13194</loc><lastmod>2023-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-and-accurate-simulations-of-partially-delocalised-charge-separation-in-organic-semiconductors-2308.13194"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-and-accurate-simulations-of-partially-delocalised-charge-separation-in-organic-semiconductors-2308.13194"/></url>
<url><loc>https://scifaro.com/en/abs/physics-inspired-equivariant-descriptors-of-non-bonded-interactions-2308.13208</loc><lastmod>2023-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physics-inspired-equivariant-descriptors-of-non-bonded-interactions-2308.13208"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physics-inspired-equivariant-descriptors-of-non-bonded-interactions-2308.13208"/></url>
<url><loc>https://scifaro.com/en/abs/response-to-response-to-comment-on-theoretical-examination-of-qed-hamiltonian-in-relativistic-molecular-orbital-theory-j-chem-phys-160-187102-2024-2308.14011</loc><lastmod>2024-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/response-to-response-to-comment-on-theoretical-examination-of-qed-hamiltonian-in-relativistic-molecular-orbital-theory-j-chem-phys-160-187102-2024-2308.14011"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/response-to-response-to-comment-on-theoretical-examination-of-qed-hamiltonian-in-relativistic-molecular-orbital-theory-j-chem-phys-160-187102-2024-2308.14011"/></url>
<url><loc>https://scifaro.com/en/abs/general-validity-of-the-exponential-law-for-the-effect-of-concentration-polarization-in-reverse-osmosis-in-a-stirred-cell-geometry-including-an-activity-correction-for-1-1-salt-solutions-2308.14233</loc><lastmod>2023-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-validity-of-the-exponential-law-for-the-effect-of-concentration-polarization-in-reverse-osmosis-in-a-stirred-cell-geometry-including-an-activity-correction-for-1-1-salt-solutions-2308.14233"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-validity-of-the-exponential-law-for-the-effect-of-concentration-polarization-in-reverse-osmosis-in-a-stirred-cell-geometry-including-an-activity-correction-for-1-1-salt-solutions-2308.14233"/></url>
<url><loc>https://scifaro.com/en/abs/persistent-effects-of-inertia-on-diffusion-influenced-reactions-theoretical-methods-and-applications-2308.14344</loc><lastmod>2023-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/persistent-effects-of-inertia-on-diffusion-influenced-reactions-theoretical-methods-and-applications-2308.14344"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/persistent-effects-of-inertia-on-diffusion-influenced-reactions-theoretical-methods-and-applications-2308.14344"/></url>
<url><loc>https://scifaro.com/en/abs/seniority-and-hierarchy-configuration-interaction-for-radicals-and-excited-states-2308.14618</loc><lastmod>2024-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/seniority-and-hierarchy-configuration-interaction-for-radicals-and-excited-states-2308.14618"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/seniority-and-hierarchy-configuration-interaction-for-radicals-and-excited-states-2308.14618"/></url>
<url><loc>https://scifaro.com/en/abs/surface-hopping-electron-translation-factors-electron-rotation-factors-momentum-conservation-and-size-consistency-2308.14621</loc><lastmod>2023-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-hopping-electron-translation-factors-electron-rotation-factors-momentum-conservation-and-size-consistency-2308.14621"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-hopping-electron-translation-factors-electron-rotation-factors-momentum-conservation-and-size-consistency-2308.14621"/></url>
<url><loc>https://scifaro.com/en/abs/may-the-force-be-with-you-unified-force-centric-pre-training-for-3d-molecular-conformations-2308.14759</loc><lastmod>2023-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/may-the-force-be-with-you-unified-force-centric-pre-training-for-3d-molecular-conformations-2308.14759"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/may-the-force-be-with-you-unified-force-centric-pre-training-for-3d-molecular-conformations-2308.14759"/></url>
<url><loc>https://scifaro.com/en/abs/light-harvesting-efficiency-cannot-depend-on-optical-coherence-in-the-absence-of-orientational-order-2308.14771</loc><lastmod>2025-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/light-harvesting-efficiency-cannot-depend-on-optical-coherence-in-the-absence-of-orientational-order-2308.14771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/light-harvesting-efficiency-cannot-depend-on-optical-coherence-in-the-absence-of-orientational-order-2308.14771"/></url>
<url><loc>https://scifaro.com/en/abs/qcmath-mathematica-modules-for-electronic-structure-calculations-2308.14890</loc><lastmod>2023-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qcmath-mathematica-modules-for-electronic-structure-calculations-2308.14890"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qcmath-mathematica-modules-for-electronic-structure-calculations-2308.14890"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-time-dependent-vibrational-coupled-cluster-computations-with-time-dependent-basis-sets-at-the-two-mode-coupling-level-full-and-hybrid-tdmvcc-2-2308.15245</loc><lastmod>2023-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-time-dependent-vibrational-coupled-cluster-computations-with-time-dependent-basis-sets-at-the-two-mode-coupling-level-full-and-hybrid-tdmvcc-2-2308.15245"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-time-dependent-vibrational-coupled-cluster-computations-with-time-dependent-basis-sets-at-the-two-mode-coupling-level-full-and-hybrid-tdmvcc-2-2308.15245"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-determination-of-excitation-energy-an-equation-of-motion-approach-over-a-bi-exponential-coupled-cluster-theory-2308.15506</loc><lastmod>2024-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-determination-of-excitation-energy-an-equation-of-motion-approach-over-a-bi-exponential-coupled-cluster-theory-2308.15506"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-determination-of-excitation-energy-an-equation-of-motion-approach-over-a-bi-exponential-coupled-cluster-theory-2308.15506"/></url>
<url><loc>https://scifaro.com/en/abs/determining-quasi-equilibrium-electron-and-hole-distributions-of-plasmonic-photocatalysts-using-photomodulated-x-ray-absorption-spectroscopy-2308.15771</loc><lastmod>2024-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determining-quasi-equilibrium-electron-and-hole-distributions-of-plasmonic-photocatalysts-using-photomodulated-x-ray-absorption-spectroscopy-2308.15771"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determining-quasi-equilibrium-electron-and-hole-distributions-of-plasmonic-photocatalysts-using-photomodulated-x-ray-absorption-spectroscopy-2308.15771"/></url>
<url><loc>https://scifaro.com/en/abs/magnetization-and-polarization-of-coupled-nuclear-spin-ensembles-2308.15837</loc><lastmod>2025-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetization-and-polarization-of-coupled-nuclear-spin-ensembles-2308.15837"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetization-and-polarization-of-coupled-nuclear-spin-ensembles-2308.15837"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-based-modeling-of-thermodynamic-cyclic-voltammograms-a-benchmark-study-on-ag-100-in-bromide-solutions-2308.15941</loc><lastmod>2023-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-based-modeling-of-thermodynamic-cyclic-voltammograms-a-benchmark-study-on-ag-100-in-bromide-solutions-2308.15941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-based-modeling-of-thermodynamic-cyclic-voltammograms-a-benchmark-study-on-ag-100-in-bromide-solutions-2308.15941"/></url>
<url><loc>https://scifaro.com/en/abs/singlet-fission-in-lycopene-h-aggregates-2308.16013</loc><lastmod>2023-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/singlet-fission-in-lycopene-h-aggregates-2308.16013"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/singlet-fission-in-lycopene-h-aggregates-2308.16013"/></url>
<url><loc>https://scifaro.com/en/abs/non-boltzmann-heat-transfer-between-a-monoatomic-gas-and-a-solid-nanostructure-2308.16087</loc><lastmod>2023-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-boltzmann-heat-transfer-between-a-monoatomic-gas-and-a-solid-nanostructure-2308.16087"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-boltzmann-heat-transfer-between-a-monoatomic-gas-and-a-solid-nanostructure-2308.16087"/></url>
<url><loc>https://scifaro.com/en/abs/giant-proton-transmembrane-transport-through-sulfophenylated-graphene-in-a-direct-methanol-fuel-cell-2308.16112</loc><lastmod>2023-08-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/giant-proton-transmembrane-transport-through-sulfophenylated-graphene-in-a-direct-methanol-fuel-cell-2308.16112"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/giant-proton-transmembrane-transport-through-sulfophenylated-graphene-in-a-direct-methanol-fuel-cell-2308.16112"/></url>
<url><loc>https://scifaro.com/en/abs/geminal-based-strategies-for-modeling-large-building-blocks-of-organic-electronic-materials-2308.16326</loc><lastmod>2023-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geminal-based-strategies-for-modeling-large-building-blocks-of-organic-electronic-materials-2308.16326"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geminal-based-strategies-for-modeling-large-building-blocks-of-organic-electronic-materials-2308.16326"/></url>
<url><loc>https://scifaro.com/en/abs/studies-of-nonadiabatic-dynamics-in-the-singlet-fission-processes-of-pentacene-dimer-via-tensor-train-decomposition-method-2308.16392</loc><lastmod>2023-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/studies-of-nonadiabatic-dynamics-in-the-singlet-fission-processes-of-pentacene-dimer-via-tensor-train-decomposition-method-2308.16392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/studies-of-nonadiabatic-dynamics-in-the-singlet-fission-processes-of-pentacene-dimer-via-tensor-train-decomposition-method-2308.16392"/></url>
<url><loc>https://scifaro.com/en/abs/computing-excited-states-of-molecules-using-normalizing-flows-2308.16468</loc><lastmod>2025-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computing-excited-states-of-molecules-using-normalizing-flows-2308.16468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computing-excited-states-of-molecules-using-normalizing-flows-2308.16468"/></url>
<url><loc>https://scifaro.com/en/abs/navigating-chemical-reaction-space-with-a-steering-wheel-2308.16499</loc><lastmod>2024-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/navigating-chemical-reaction-space-with-a-steering-wheel-2308.16499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/navigating-chemical-reaction-space-with-a-steering-wheel-2308.16499"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-of-microscopic-structure-dynamics-relationships-in-complex-molecular-systems-2308.16829</loc><lastmod>2023-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-of-microscopic-structure-dynamics-relationships-in-complex-molecular-systems-2308.16829"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-of-microscopic-structure-dynamics-relationships-in-complex-molecular-systems-2308.16829"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-diblock-copolymer-morphology-via-machine-learning-2308.16886</loc><lastmod>2023-09-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-diblock-copolymer-morphology-via-machine-learning-2308.16886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-diblock-copolymer-morphology-via-machine-learning-2308.16886"/></url>
<url><loc>https://scifaro.com/en/abs/multichannel-quantum-defect-theory-with-a-frame-transformation-for-ultracold-atom-molecule-collisions-in-magnetic-fields-2309.00263</loc><lastmod>2024-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multichannel-quantum-defect-theory-with-a-frame-transformation-for-ultracold-atom-molecule-collisions-in-magnetic-fields-2309.00263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multichannel-quantum-defect-theory-with-a-frame-transformation-for-ultracold-atom-molecule-collisions-in-magnetic-fields-2309.00263"/></url>
<url><loc>https://scifaro.com/en/abs/bespoke-nanoparticle-synthesis-and-chemical-knowledge-discovery-via-autonomous-experimentations-2309.00349</loc><lastmod>2023-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bespoke-nanoparticle-synthesis-and-chemical-knowledge-discovery-via-autonomous-experimentations-2309.00349"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bespoke-nanoparticle-synthesis-and-chemical-knowledge-discovery-via-autonomous-experimentations-2309.00349"/></url>
<url><loc>https://scifaro.com/en/abs/enabling-inverse-design-in-chemical-compound-space-mapping-quantum-properties-to-structures-for-small-organic-molecules-2309.00506</loc><lastmod>2023-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enabling-inverse-design-in-chemical-compound-space-mapping-quantum-properties-to-structures-for-small-organic-molecules-2309.00506"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enabling-inverse-design-in-chemical-compound-space-mapping-quantum-properties-to-structures-for-small-organic-molecules-2309.00506"/></url>
<url><loc>https://scifaro.com/en/abs/speeding-up-hybrid-functional-based-ab-initio-molecular-dynamics-using-multiple-time-stepping-and-resonance-free-thermostat-2309.00651</loc><lastmod>2025-06-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speeding-up-hybrid-functional-based-ab-initio-molecular-dynamics-using-multiple-time-stepping-and-resonance-free-thermostat-2309.00651"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speeding-up-hybrid-functional-based-ab-initio-molecular-dynamics-using-multiple-time-stepping-and-resonance-free-thermostat-2309.00651"/></url>
<url><loc>https://scifaro.com/en/abs/diagrammatic-multiplet-sum-method-msm-density-functional-theory-dft-investigation-of-the-transferability-of-integrals-in-simple-dft-based-approaches-to-multi-determinantal-problems-2309.00887</loc><lastmod>2024-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diagrammatic-multiplet-sum-method-msm-density-functional-theory-dft-investigation-of-the-transferability-of-integrals-in-simple-dft-based-approaches-to-multi-determinantal-problems-2309.00887"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diagrammatic-multiplet-sum-method-msm-density-functional-theory-dft-investigation-of-the-transferability-of-integrals-in-simple-dft-based-approaches-to-multi-determinantal-problems-2309.00887"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-the-regularization-in-size-consistent-second-order-brillouin-wigner-perturbation-theory-2309.01376</loc><lastmod>2023-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-the-regularization-in-size-consistent-second-order-brillouin-wigner-perturbation-theory-2309.01376"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-the-regularization-in-size-consistent-second-order-brillouin-wigner-perturbation-theory-2309.01376"/></url>
<url><loc>https://scifaro.com/en/abs/vibration-spectra-of-benzene-like-models-with-hooke-s-law-interactions-2309.01498</loc><lastmod>2025-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibration-spectra-of-benzene-like-models-with-hooke-s-law-interactions-2309.01498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibration-spectra-of-benzene-like-models-with-hooke-s-law-interactions-2309.01498"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-the-reiss-theory-for-binary-homogeneous-nucleation-of-aerosols-2309.01572</loc><lastmod>2023-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-the-reiss-theory-for-binary-homogeneous-nucleation-of-aerosols-2309.01572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-the-reiss-theory-for-binary-homogeneous-nucleation-of-aerosols-2309.01572"/></url>
<url><loc>https://scifaro.com/en/abs/ehrenfest-modeling-of-cavity-vacuum-fluctuations-and-how-to-achieve-emission-from-a-three-level-atom-2309.01912</loc><lastmod>2023-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ehrenfest-modeling-of-cavity-vacuum-fluctuations-and-how-to-achieve-emission-from-a-three-level-atom-2309.01912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ehrenfest-modeling-of-cavity-vacuum-fluctuations-and-how-to-achieve-emission-from-a-three-level-atom-2309.01912"/></url>
<url><loc>https://scifaro.com/en/abs/how-metal-insulator-interfaces-enable-the-enhancement-of-the-hydrogen-evolution-reaction-kinetics-in-two-ways-2309.02229</loc><lastmod>2023-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-metal-insulator-interfaces-enable-the-enhancement-of-the-hydrogen-evolution-reaction-kinetics-in-two-ways-2309.02229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-metal-insulator-interfaces-enable-the-enhancement-of-the-hydrogen-evolution-reaction-kinetics-in-two-ways-2309.02229"/></url>
<url><loc>https://scifaro.com/en/abs/topical-issue-dynamics-of-systems-on-the-nanoscale-2021-editorial-2309.02312</loc><lastmod>2023-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topical-issue-dynamics-of-systems-on-the-nanoscale-2021-editorial-2309.02312"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topical-issue-dynamics-of-systems-on-the-nanoscale-2021-editorial-2309.02312"/></url>
<url><loc>https://scifaro.com/en/abs/a-diffusion-quantum-monte-carlo-approach-to-the-polaritonic-ground-state-2309.02349</loc><lastmod>2023-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-diffusion-quantum-monte-carlo-approach-to-the-polaritonic-ground-state-2309.02349"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-diffusion-quantum-monte-carlo-approach-to-the-polaritonic-ground-state-2309.02349"/></url>
<url><loc>https://scifaro.com/en/abs/all-optical-coherent-control-of-chiral-electronic-transitions-for-highly-enantioselective-photochemistry-2309.02392</loc><lastmod>2025-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/all-optical-coherent-control-of-chiral-electronic-transitions-for-highly-enantioselective-photochemistry-2309.02392"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/all-optical-coherent-control-of-chiral-electronic-transitions-for-highly-enantioselective-photochemistry-2309.02392"/></url>
<url><loc>https://scifaro.com/en/abs/classification-of-la3-and-gd3-rare-earth-ions-using-surface-enhanced-raman-scattering-2309.02409</loc><lastmod>2023-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classification-of-la3-and-gd3-rare-earth-ions-using-surface-enhanced-raman-scattering-2309.02409"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classification-of-la3-and-gd3-rare-earth-ions-using-surface-enhanced-raman-scattering-2309.02409"/></url>
<url><loc>https://scifaro.com/en/abs/deterministic-fragmented-stochastic-exchange-for-large-scale-hybrid-dft-calculations-2309.02536</loc><lastmod>2023-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deterministic-fragmented-stochastic-exchange-for-large-scale-hybrid-dft-calculations-2309.02536"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deterministic-fragmented-stochastic-exchange-for-large-scale-hybrid-dft-calculations-2309.02536"/></url>
<url><loc>https://scifaro.com/en/abs/improved-cps-and-cbs-extrapolation-of-pno-ccsd-t-energies-the-mobh35-and-isol24-data-sets-2309.02639</loc><lastmod>2023-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-cps-and-cbs-extrapolation-of-pno-ccsd-t-energies-the-mobh35-and-isol24-data-sets-2309.02639"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-cps-and-cbs-extrapolation-of-pno-ccsd-t-energies-the-mobh35-and-isol24-data-sets-2309.02639"/></url>
<url><loc>https://scifaro.com/en/abs/interpretations-of-high-order-transient-absorption-spectroscopies-2309.02659</loc><lastmod>2023-09-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interpretations-of-high-order-transient-absorption-spectroscopies-2309.02659"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interpretations-of-high-order-transient-absorption-spectroscopies-2309.02659"/></url>
<url><loc>https://scifaro.com/en/abs/nonunitary-projective-transcorrelation-theory-inspired-by-the-f12-ansatz-2309.02811</loc><lastmod>2023-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonunitary-projective-transcorrelation-theory-inspired-by-the-f12-ansatz-2309.02811"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonunitary-projective-transcorrelation-theory-inspired-by-the-f12-ansatz-2309.02811"/></url>
<url><loc>https://scifaro.com/en/abs/spa-mathrm-h-m-a-b-encoding-the-density-information-from-guess-hamiltonian-in-quantum-machine-learning-representations-2309.02950</loc><lastmod>2024-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spa-mathrm-h-m-a-b-encoding-the-density-information-from-guess-hamiltonian-in-quantum-machine-learning-representations-2309.02950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spa-mathrm-h-m-a-b-encoding-the-density-information-from-guess-hamiltonian-in-quantum-machine-learning-representations-2309.02950"/></url>
<url><loc>https://scifaro.com/en/abs/the-three-channels-of-many-body-perturbation-theory-gw-particle-particle-and-electron-hole-t-matrix-self-energies-2309.04167</loc><lastmod>2024-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-three-channels-of-many-body-perturbation-theory-gw-particle-particle-and-electron-hole-t-matrix-self-energies-2309.04167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-three-channels-of-many-body-perturbation-theory-gw-particle-particle-and-electron-hole-t-matrix-self-energies-2309.04167"/></url>
<url><loc>https://scifaro.com/en/abs/strong-electron-correlation-from-partition-density-functional-theory-2309.04571</loc><lastmod>2023-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/strong-electron-correlation-from-partition-density-functional-theory-2309.04571"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/strong-electron-correlation-from-partition-density-functional-theory-2309.04571"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-nuclear-quantum-effects-on-long-range-electrostatics-in-nonuniform-fluids-2309.04613</loc><lastmod>2023-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-nuclear-quantum-effects-on-long-range-electrostatics-in-nonuniform-fluids-2309.04613"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-nuclear-quantum-effects-on-long-range-electrostatics-in-nonuniform-fluids-2309.04613"/></url>
<url><loc>https://scifaro.com/en/abs/a-step-toward-density-benchmarking-the-energy-relevant-mean-field-error-2309.04900</loc><lastmod>2023-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-step-toward-density-benchmarking-the-energy-relevant-mean-field-error-2309.04900"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-step-toward-density-benchmarking-the-energy-relevant-mean-field-error-2309.04900"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-effect-of-aleatoric-and-epistemic-errors-on-the-learnability-and-quality-of-nn-based-potential-energy-surfaces-2309.05043</loc><lastmod>2023-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-effect-of-aleatoric-and-epistemic-errors-on-the-learnability-and-quality-of-nn-based-potential-energy-surfaces-2309.05043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-effect-of-aleatoric-and-epistemic-errors-on-the-learnability-and-quality-of-nn-based-potential-energy-surfaces-2309.05043"/></url>
<url><loc>https://scifaro.com/en/abs/computing-equilibrium-free-energies-through-a-nonequilibrium-quench-2309.05122</loc><lastmod>2023-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computing-equilibrium-free-energies-through-a-nonequilibrium-quench-2309.05122"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computing-equilibrium-free-energies-through-a-nonequilibrium-quench-2309.05122"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-molecular-structure-on-the-microscopic-thermodynamics-unveiling-with-femtosecond-optical-tweezers-2309.05385</loc><lastmod>2023-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-molecular-structure-on-the-microscopic-thermodynamics-unveiling-with-femtosecond-optical-tweezers-2309.05385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-molecular-structure-on-the-microscopic-thermodynamics-unveiling-with-femtosecond-optical-tweezers-2309.05385"/></url>
<url><loc>https://scifaro.com/en/abs/photodetachment-dynamics-using-nonlocal-dicrete-state-in-continuum-model-2309.05830</loc><lastmod>2023-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photodetachment-dynamics-using-nonlocal-dicrete-state-in-continuum-model-2309.05830"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photodetachment-dynamics-using-nonlocal-dicrete-state-in-continuum-model-2309.05830"/></url>
<url><loc>https://scifaro.com/en/abs/inductive-proof-of-borchardt-s-theorem-2309.05886</loc><lastmod>2023-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/inductive-proof-of-borchardt-s-theorem-2309.05886"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/inductive-proof-of-borchardt-s-theorem-2309.05886"/></url>
<url><loc>https://scifaro.com/en/abs/pentagon-hexagon-or-bridge-identifying-the-location-of-a-single-vanadium-cation-on-buckminsterfullerene-surface-2309.05890</loc><lastmod>2023-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pentagon-hexagon-or-bridge-identifying-the-location-of-a-single-vanadium-cation-on-buckminsterfullerene-surface-2309.05890"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pentagon-hexagon-or-bridge-identifying-the-location-of-a-single-vanadium-cation-on-buckminsterfullerene-surface-2309.05890"/></url>
<url><loc>https://scifaro.com/en/abs/perturbative-expansion-in-reciprocal-space-bridging-microscopic-and-mesoscopic-descriptions-of-molecular-interactions-2309.05957</loc><lastmod>2024-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perturbative-expansion-in-reciprocal-space-bridging-microscopic-and-mesoscopic-descriptions-of-molecular-interactions-2309.05957"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perturbative-expansion-in-reciprocal-space-bridging-microscopic-and-mesoscopic-descriptions-of-molecular-interactions-2309.05957"/></url>
<url><loc>https://scifaro.com/en/abs/using-metadynamics-to-reveal-extractant-conformational-free-energy-landscapes-2309.06400</loc><lastmod>2023-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-metadynamics-to-reveal-extractant-conformational-free-energy-landscapes-2309.06400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-metadynamics-to-reveal-extractant-conformational-free-energy-landscapes-2309.06400"/></url>
<url><loc>https://scifaro.com/en/abs/interaction-of-ch-3-cn-and-ch-3-nc-with-he-potential-energy-surfaces-and-low-energy-scattering-2309.06816</loc><lastmod>2023-09-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interaction-of-ch-3-cn-and-ch-3-nc-with-he-potential-energy-surfaces-and-low-energy-scattering-2309.06816"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interaction-of-ch-3-cn-and-ch-3-nc-with-he-potential-energy-surfaces-and-low-energy-scattering-2309.06816"/></url>
<url><loc>https://scifaro.com/en/abs/frequency-dependent-quadratic-response-properties-and-two-photon-absorption-from-relativistic-equation-of-motion-coupled-cluster-theory-2309.07295</loc><lastmod>2024-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frequency-dependent-quadratic-response-properties-and-two-photon-absorption-from-relativistic-equation-of-motion-coupled-cluster-theory-2309.07295"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frequency-dependent-quadratic-response-properties-and-two-photon-absorption-from-relativistic-equation-of-motion-coupled-cluster-theory-2309.07295"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-prediction-of-diffusive-ionic-current-through-nanopores-under-salt-gradients-2309.07389</loc><lastmod>2023-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-prediction-of-diffusive-ionic-current-through-nanopores-under-salt-gradients-2309.07389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-prediction-of-diffusive-ionic-current-through-nanopores-under-salt-gradients-2309.07389"/></url>
<url><loc>https://scifaro.com/en/abs/conformational-isomerization-dynamics-in-solvent-violates-both-the-stokes-einstein-relation-and-kramers-theory-2309.07521</loc><lastmod>2023-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformational-isomerization-dynamics-in-solvent-violates-both-the-stokes-einstein-relation-and-kramers-theory-2309.07521"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformational-isomerization-dynamics-in-solvent-violates-both-the-stokes-einstein-relation-and-kramers-theory-2309.07521"/></url>
<url><loc>https://scifaro.com/en/abs/water-not-salt-causes-most-of-the-seebeck-effect-of-nonisothermal-aqueous-electrolytes-2309.07853</loc><lastmod>2023-09-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-not-salt-causes-most-of-the-seebeck-effect-of-nonisothermal-aqueous-electrolytes-2309.07853"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-not-salt-causes-most-of-the-seebeck-effect-of-nonisothermal-aqueous-electrolytes-2309.07853"/></url>
<url><loc>https://scifaro.com/en/abs/signature-of-attochemical-quantum-interference-upon-ionization-and-excitation-of-an-electronic-wavepacket-in-fluoro-benzene-2309.08269</loc><lastmod>2024-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/signature-of-attochemical-quantum-interference-upon-ionization-and-excitation-of-an-electronic-wavepacket-in-fluoro-benzene-2309.08269"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/signature-of-attochemical-quantum-interference-upon-ionization-and-excitation-of-an-electronic-wavepacket-in-fluoro-benzene-2309.08269"/></url>
<url><loc>https://scifaro.com/en/abs/from-plastic-waste-to-treasure-selective-upcycling-through-catalytic-technologies-2309.08354</loc><lastmod>2023-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-plastic-waste-to-treasure-selective-upcycling-through-catalytic-technologies-2309.08354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-plastic-waste-to-treasure-selective-upcycling-through-catalytic-technologies-2309.08354"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-quantum-scattering-calculations-and-a-new-potential-energy-surface-for-the-hcl-x-1-sigma-o-2-x-3-sigma-g-system-collision-induced-line-shape-parameters-for-o-2-perturbed-r-0-0-0-line-in-h-35-cl-2309.08413</loc><lastmod>2023-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-quantum-scattering-calculations-and-a-new-potential-energy-surface-for-the-hcl-x-1-sigma-o-2-x-3-sigma-g-system-collision-induced-line-shape-parameters-for-o-2-perturbed-r-0-0-0-line-in-h-35-cl-2309.08413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-quantum-scattering-calculations-and-a-new-potential-energy-surface-for-the-hcl-x-1-sigma-o-2-x-3-sigma-g-system-collision-induced-line-shape-parameters-for-o-2-perturbed-r-0-0-0-line-in-h-35-cl-2309.08413"/></url>
<url><loc>https://scifaro.com/en/abs/a-theory-of-phonon-induced-friction-on-molecular-adsorbates-2309.08447</loc><lastmod>2024-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-theory-of-phonon-induced-friction-on-molecular-adsorbates-2309.08447"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-theory-of-phonon-induced-friction-on-molecular-adsorbates-2309.08447"/></url>
<url><loc>https://scifaro.com/en/abs/oscillator-strengths-and-excited-state-couplings-for-double-excitations-in-time-dependent-density-functional-theory-2309.08840</loc><lastmod>2023-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oscillator-strengths-and-excited-state-couplings-for-double-excitations-in-time-dependent-density-functional-theory-2309.08840"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oscillator-strengths-and-excited-state-couplings-for-double-excitations-in-time-dependent-density-functional-theory-2309.08840"/></url>
<url><loc>https://scifaro.com/en/abs/a-cholesky-decomposition-based-implementation-of-relativistic-two-component-coupled-cluster-methods-for-medium-sized-molecules-2309.08934</loc><lastmod>2023-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-cholesky-decomposition-based-implementation-of-relativistic-two-component-coupled-cluster-methods-for-medium-sized-molecules-2309.08934"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-cholesky-decomposition-based-implementation-of-relativistic-two-component-coupled-cluster-methods-for-medium-sized-molecules-2309.08934"/></url>
<url><loc>https://scifaro.com/en/abs/rotational-spectroscopy-of-the-thioformaldehyde-isotopologues-h-2-cs-and-h-2-c-34-s-in-four-interacting-excited-vibrational-states-and-an-account-on-the-rotational-spectrum-of-thioketene-h-2-ccs-2309.08992</loc><lastmod>2024-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-spectroscopy-of-the-thioformaldehyde-isotopologues-h-2-cs-and-h-2-c-34-s-in-four-interacting-excited-vibrational-states-and-an-account-on-the-rotational-spectrum-of-thioketene-h-2-ccs-2309.08992"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-spectroscopy-of-the-thioformaldehyde-isotopologues-h-2-cs-and-h-2-c-34-s-in-four-interacting-excited-vibrational-states-and-an-account-on-the-rotational-spectrum-of-thioketene-h-2-ccs-2309.08992"/></url>
<url><loc>https://scifaro.com/en/abs/exact-sampling-of-molecules-in-chemical-space-2309.09194</loc><lastmod>2025-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exact-sampling-of-molecules-in-chemical-space-2309.09194"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exact-sampling-of-molecules-in-chemical-space-2309.09194"/></url>
<url><loc>https://scifaro.com/en/abs/is-the-local-ion-density-sufficient-to-drive-nacl-nucleation-from-the-melt-and-aqueous-solution-2309.09284</loc><lastmod>2024-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-the-local-ion-density-sufficient-to-drive-nacl-nucleation-from-the-melt-and-aqueous-solution-2309.09284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-the-local-ion-density-sufficient-to-drive-nacl-nucleation-from-the-melt-and-aqueous-solution-2309.09284"/></url>
<url><loc>https://scifaro.com/en/abs/coarse-graining-with-equivariant-neural-networks-a-path-towards-accurate-and-data-efficient-models-2309.09290</loc><lastmod>2023-11-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coarse-graining-with-equivariant-neural-networks-a-path-towards-accurate-and-data-efficient-models-2309.09290"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coarse-graining-with-equivariant-neural-networks-a-path-towards-accurate-and-data-efficient-models-2309.09290"/></url>
<url><loc>https://scifaro.com/en/abs/structure-to-property-chemical-element-embeddings-and-a-deep-learning-approach-for-accurate-prediction-of-chemical-properties-2309.09355</loc><lastmod>2024-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structure-to-property-chemical-element-embeddings-and-a-deep-learning-approach-for-accurate-prediction-of-chemical-properties-2309.09355"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structure-to-property-chemical-element-embeddings-and-a-deep-learning-approach-for-accurate-prediction-of-chemical-properties-2309.09355"/></url>
<url><loc>https://scifaro.com/en/abs/anomalous-transport-of-small-polarons-arises-from-transient-lattice-relaxation-or-immovable-boundaries-2309.09509</loc><lastmod>2024-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anomalous-transport-of-small-polarons-arises-from-transient-lattice-relaxation-or-immovable-boundaries-2309.09509"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anomalous-transport-of-small-polarons-arises-from-transient-lattice-relaxation-or-immovable-boundaries-2309.09509"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-description-of-conical-intersections-between-excited-electronic-states-with-lr-tddft-and-adc-2-2309.09772</loc><lastmod>2023-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-description-of-conical-intersections-between-excited-electronic-states-with-lr-tddft-and-adc-2-2309.09772"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-description-of-conical-intersections-between-excited-electronic-states-with-lr-tddft-and-adc-2-2309.09772"/></url>
<url><loc>https://scifaro.com/en/abs/information-geometric-bound-on-general-chemical-reaction-networks-2309.10334</loc><lastmod>2023-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/information-geometric-bound-on-general-chemical-reaction-networks-2309.10334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/information-geometric-bound-on-general-chemical-reaction-networks-2309.10334"/></url>
<url><loc>https://scifaro.com/en/abs/a-density-fitting-implementation-of-the-density-based-basis-set-correction-method-2309.10390</loc><lastmod>2024-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-density-fitting-implementation-of-the-density-based-basis-set-correction-method-2309.10390"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-density-fitting-implementation-of-the-density-based-basis-set-correction-method-2309.10390"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-derivative-couplings-through-multiple-franck-condon-modes-dictate-the-energy-gap-law-for-near-and-short-wave-infrared-dye-molecules-2309.10695</loc><lastmod>2026-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-derivative-couplings-through-multiple-franck-condon-modes-dictate-the-energy-gap-law-for-near-and-short-wave-infrared-dye-molecules-2309.10695"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-derivative-couplings-through-multiple-franck-condon-modes-dictate-the-energy-gap-law-for-near-and-short-wave-infrared-dye-molecules-2309.10695"/></url>
<url><loc>https://scifaro.com/en/abs/nested-gausslet-basis-sets-2309.10704</loc><lastmod>2023-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nested-gausslet-basis-sets-2309.10704"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nested-gausslet-basis-sets-2309.10704"/></url>
<url><loc>https://scifaro.com/en/abs/digital-twins-kinetics-of-virtual-free-radical-copolymerization-of-vinyl-monomers-with-stable-radicals-1-methyl-methacrylate-2309.11616</loc><lastmod>2024-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/digital-twins-kinetics-of-virtual-free-radical-copolymerization-of-vinyl-monomers-with-stable-radicals-1-methyl-methacrylate-2309.11616"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/digital-twins-kinetics-of-virtual-free-radical-copolymerization-of-vinyl-monomers-with-stable-radicals-1-methyl-methacrylate-2309.11616"/></url>
<url><loc>https://scifaro.com/en/abs/a-high-throughput-steered-molecular-dynamics-study-on-the-free-energy-profile-of-ion-permeation-through-gramicidin-a-2309.12088</loc><lastmod>2023-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-high-throughput-steered-molecular-dynamics-study-on-the-free-energy-profile-of-ion-permeation-through-gramicidin-a-2309.12088"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-high-throughput-steered-molecular-dynamics-study-on-the-free-energy-profile-of-ion-permeation-through-gramicidin-a-2309.12088"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-sensitivity-of-computed-partial-charges-toward-basis-set-and-exchange-correlation-treatment-2309.12184</loc><lastmod>2024-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-sensitivity-of-computed-partial-charges-toward-basis-set-and-exchange-correlation-treatment-2309.12184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-sensitivity-of-computed-partial-charges-toward-basis-set-and-exchange-correlation-treatment-2309.12184"/></url>
<url><loc>https://scifaro.com/en/abs/unitary-coupled-cluster-for-quantum-computation-of-molecular-properties-in-a-strong-magnetic-field-2309.12240</loc><lastmod>2023-09-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unitary-coupled-cluster-for-quantum-computation-of-molecular-properties-in-a-strong-magnetic-field-2309.12240"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unitary-coupled-cluster-for-quantum-computation-of-molecular-properties-in-a-strong-magnetic-field-2309.12240"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-language-of-molecules-predicting-pure-component-parameters-for-the-pc-saft-equation-of-state-from-smiles-2309.12404</loc><lastmod>2023-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-language-of-molecules-predicting-pure-component-parameters-for-the-pc-saft-equation-of-state-from-smiles-2309.12404"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-language-of-molecules-predicting-pure-component-parameters-for-the-pc-saft-equation-of-state-from-smiles-2309.12404"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-aided-first-principles-calculations-of-redox-potentials-2309.13217</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-aided-first-principles-calculations-of-redox-potentials-2309.13217"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-aided-first-principles-calculations-of-redox-potentials-2309.13217"/></url>
<url><loc>https://scifaro.com/en/abs/nanoscale-patterning-of-surface-nanobubbles-2309.13280</loc><lastmod>2023-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nanoscale-patterning-of-surface-nanobubbles-2309.13280"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nanoscale-patterning-of-surface-nanobubbles-2309.13280"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-thermodynamic-theory-of-curvature-dependent-surface-tension-2309.14110</loc><lastmod>2023-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-thermodynamic-theory-of-curvature-dependent-surface-tension-2309.14110"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-thermodynamic-theory-of-curvature-dependent-surface-tension-2309.14110"/></url>
<url><loc>https://scifaro.com/en/abs/the-resolution-of-the-weak-exchange-limit-made-rigorous-simple-and-general-in-binuclear-complexes-2309.14255</loc><lastmod>2024-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-resolution-of-the-weak-exchange-limit-made-rigorous-simple-and-general-in-binuclear-complexes-2309.14255"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-resolution-of-the-weak-exchange-limit-made-rigorous-simple-and-general-in-binuclear-complexes-2309.14255"/></url>
<url><loc>https://scifaro.com/en/abs/solvent-effects-on-extractant-conformational-energetics-in-liquid-liquid-extraction-a-simulation-study-of-molecular-solvents-and-ionic-liquids-2309.14578</loc><lastmod>2023-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvent-effects-on-extractant-conformational-energetics-in-liquid-liquid-extraction-a-simulation-study-of-molecular-solvents-and-ionic-liquids-2309.14578"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvent-effects-on-extractant-conformational-energetics-in-liquid-liquid-extraction-a-simulation-study-of-molecular-solvents-and-ionic-liquids-2309.14578"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-fluorescence-quantum-yields-using-the-extended-thawed-gaussian-approximation-2309.14789</loc><lastmod>2024-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-fluorescence-quantum-yields-using-the-extended-thawed-gaussian-approximation-2309.14789"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-fluorescence-quantum-yields-using-the-extended-thawed-gaussian-approximation-2309.14789"/></url>
<url><loc>https://scifaro.com/en/abs/importance-profiles-visualization-of-atomic-basis-set-requirements-2309.14844</loc><lastmod>2025-02-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/importance-profiles-visualization-of-atomic-basis-set-requirements-2309.14844"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/importance-profiles-visualization-of-atomic-basis-set-requirements-2309.14844"/></url>
<url><loc>https://scifaro.com/en/abs/universal-pairwise-interatomic-van-der-waals-potentials-based-on-quantum-drude-oscillators-2309.14910</loc><lastmod>2023-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-pairwise-interatomic-van-der-waals-potentials-based-on-quantum-drude-oscillators-2309.14910"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-pairwise-interatomic-van-der-waals-potentials-based-on-quantum-drude-oscillators-2309.14910"/></url>
<url><loc>https://scifaro.com/en/abs/coronene-a-model-for-ultrafast-dynamics-in-graphene-nanoflakes-and-pahs-2309.14911</loc><lastmod>2024-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coronene-a-model-for-ultrafast-dynamics-in-graphene-nanoflakes-and-pahs-2309.14911"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coronene-a-model-for-ultrafast-dynamics-in-graphene-nanoflakes-and-pahs-2309.14911"/></url>
<url><loc>https://scifaro.com/en/abs/decorative-coating-or-corrosion-product-tem-and-sem-study-on-a-late-neolithic-axe-to-find-origins-of-silver-metal-on-the-surface-2309.15120</loc><lastmod>2023-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decorative-coating-or-corrosion-product-tem-and-sem-study-on-a-late-neolithic-axe-to-find-origins-of-silver-metal-on-the-surface-2309.15120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decorative-coating-or-corrosion-product-tem-and-sem-study-on-a-late-neolithic-axe-to-find-origins-of-silver-metal-on-the-surface-2309.15120"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-conductivity-measurement-using-modulated-photothermal-radiometry-for-nitrate-and-chloride-molten-salts-2309.15121</loc><lastmod>2023-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-conductivity-measurement-using-modulated-photothermal-radiometry-for-nitrate-and-chloride-molten-salts-2309.15121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-conductivity-measurement-using-modulated-photothermal-radiometry-for-nitrate-and-chloride-molten-salts-2309.15121"/></url>
<url><loc>https://scifaro.com/en/abs/differential-cross-section-for-elastic-collision-first-exited-state-and-ionization-of-water-molecule-2309.15122</loc><lastmod>2023-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/differential-cross-section-for-elastic-collision-first-exited-state-and-ionization-of-water-molecule-2309.15122"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/differential-cross-section-for-elastic-collision-first-exited-state-and-ionization-of-water-molecule-2309.15122"/></url>
<url><loc>https://scifaro.com/en/abs/uncovering-neural-scaling-laws-in-molecular-representation-learning-2309.15123</loc><lastmod>2023-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncovering-neural-scaling-laws-in-molecular-representation-learning-2309.15123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncovering-neural-scaling-laws-in-molecular-representation-learning-2309.15123"/></url>
<url><loc>https://scifaro.com/en/abs/from-peptides-to-nanostructures-a-euclidean-transformer-for-fast-and-stable-machine-learned-force-fields-2309.15126</loc><lastmod>2024-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-peptides-to-nanostructures-a-euclidean-transformer-for-fast-and-stable-machine-learned-force-fields-2309.15126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-peptides-to-nanostructures-a-euclidean-transformer-for-fast-and-stable-machine-learned-force-fields-2309.15126"/></url>
<url><loc>https://scifaro.com/en/abs/grad-dft-a-software-library-for-machine-learning-enhanced-density-functional-theory-2309.15127</loc><lastmod>2024-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/grad-dft-a-software-library-for-machine-learning-enhanced-density-functional-theory-2309.15127"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/grad-dft-a-software-library-for-machine-learning-enhanced-density-functional-theory-2309.15127"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-the-structure-of-qm7b-and-qm9-quantum-mechanical-datasets-using-unsupervised-learning-2309.15130</loc><lastmod>2023-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-the-structure-of-qm7b-and-qm9-quantum-mechanical-datasets-using-unsupervised-learning-2309.15130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-the-structure-of-qm7b-and-qm9-quantum-mechanical-datasets-using-unsupervised-learning-2309.15130"/></url>
<url><loc>https://scifaro.com/en/abs/bound-and-autoionizing-potential-energy-curves-in-the-ch-molecule-2309.15215</loc><lastmod>2025-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bound-and-autoionizing-potential-energy-curves-in-the-ch-molecule-2309.15215"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bound-and-autoionizing-potential-energy-curves-in-the-ch-molecule-2309.15215"/></url>
<url><loc>https://scifaro.com/en/abs/universal-click-chemistry-approach-for-the-dna-functionalization-of-nanoparticles-2309.15534</loc><lastmod>2024-01-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-click-chemistry-approach-for-the-dna-functionalization-of-nanoparticles-2309.15534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-click-chemistry-approach-for-the-dna-functionalization-of-nanoparticles-2309.15534"/></url>
<url><loc>https://scifaro.com/en/abs/direct-sensing-of-remote-nuclei-expanding-the-reach-of-cross-effect-dynamic-nuclear-polarization-2309.15653</loc><lastmod>2023-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-sensing-of-remote-nuclei-expanding-the-reach-of-cross-effect-dynamic-nuclear-polarization-2309.15653"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-sensing-of-remote-nuclei-expanding-the-reach-of-cross-effect-dynamic-nuclear-polarization-2309.15653"/></url>
<url><loc>https://scifaro.com/en/abs/geometry-enhanced-pre-training-on-interatomic-potentials-2309.15718</loc><lastmod>2024-04-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometry-enhanced-pre-training-on-interatomic-potentials-2309.15718"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometry-enhanced-pre-training-on-interatomic-potentials-2309.15718"/></url>
<url><loc>https://scifaro.com/en/abs/the-electron-propagator-for-non-interacting-particles-an-alternative-approach-to-quasi-degenerate-perturbation-theory-qdpt-2309.15721</loc><lastmod>2023-09-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-electron-propagator-for-non-interacting-particles-an-alternative-approach-to-quasi-degenerate-perturbation-theory-qdpt-2309.15721"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-electron-propagator-for-non-interacting-particles-an-alternative-approach-to-quasi-degenerate-perturbation-theory-qdpt-2309.15721"/></url>
<url><loc>https://scifaro.com/en/abs/general-integrated-rate-law-for-complex-self-assembly-reactions-reveals-the-mechanism-of-amyloid-beta-co-aggregation-2309.15932</loc><lastmod>2025-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-integrated-rate-law-for-complex-self-assembly-reactions-reveals-the-mechanism-of-amyloid-beta-co-aggregation-2309.15932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-integrated-rate-law-for-complex-self-assembly-reactions-reveals-the-mechanism-of-amyloid-beta-co-aggregation-2309.15932"/></url>
<url><loc>https://scifaro.com/en/abs/linear-and-non-linear-infrared-response-of-one-dimensional-vibrational-holstein-polarons-in-the-anti-adiabatic-limit-optical-and-acoustical-phonon-models-2309.16001</loc><lastmod>2023-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-and-non-linear-infrared-response-of-one-dimensional-vibrational-holstein-polarons-in-the-anti-adiabatic-limit-optical-and-acoustical-phonon-models-2309.16001"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-and-non-linear-infrared-response-of-one-dimensional-vibrational-holstein-polarons-in-the-anti-adiabatic-limit-optical-and-acoustical-phonon-models-2309.16001"/></url>
<url><loc>https://scifaro.com/en/abs/full-breit-hamiltonian-in-the-multiwavelets-framework-2309.16183</loc><lastmod>2024-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-breit-hamiltonian-in-the-multiwavelets-framework-2309.16183"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-breit-hamiltonian-in-the-multiwavelets-framework-2309.16183"/></url>
<url><loc>https://scifaro.com/en/abs/a-novel-electrochemical-flow-cell-for-operando-xas-investigations-on-x-ray-opaque-supports-2309.16184</loc><lastmod>2023-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-novel-electrochemical-flow-cell-for-operando-xas-investigations-on-x-ray-opaque-supports-2309.16184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-novel-electrochemical-flow-cell-for-operando-xas-investigations-on-x-ray-opaque-supports-2309.16184"/></url>
<url><loc>https://scifaro.com/en/abs/language-models-in-molecular-discovery-2309.16235</loc><lastmod>2024-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/language-models-in-molecular-discovery-2309.16235"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/language-models-in-molecular-discovery-2309.16235"/></url>
<url><loc>https://scifaro.com/en/abs/adiabatic-connection-interaction-strength-interpolation-method-made-accurate-for-the-uniform-electron-gas-2309.16430</loc><lastmod>2023-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adiabatic-connection-interaction-strength-interpolation-method-made-accurate-for-the-uniform-electron-gas-2309.16430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adiabatic-connection-interaction-strength-interpolation-method-made-accurate-for-the-uniform-electron-gas-2309.16430"/></url>
<url><loc>https://scifaro.com/en/abs/improving-potential-energy-surfaces-using-experimental-feshbach-resonance-tomography-2309.16491</loc><lastmod>2023-09-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-potential-energy-surfaces-using-experimental-feshbach-resonance-tomography-2309.16491"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-potential-energy-surfaces-using-experimental-feshbach-resonance-tomography-2309.16491"/></url>
<url><loc>https://scifaro.com/en/abs/reference-vertical-excitation-energies-for-transition-metal-compounds-2309.17311</loc><lastmod>2024-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reference-vertical-excitation-energies-for-transition-metal-compounds-2309.17311"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reference-vertical-excitation-energies-for-transition-metal-compounds-2309.17311"/></url>
<url><loc>https://scifaro.com/en/abs/identifiability-study-of-lithium-ion-battery-capacity-fade-using-degradation-mode-sensitivity-for-a-minimally-and-intuitively-parametrized-electrode-specific-cell-open-circuit-voltage-model-2309.17331</loc><lastmod>2024-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/identifiability-study-of-lithium-ion-battery-capacity-fade-using-degradation-mode-sensitivity-for-a-minimally-and-intuitively-parametrized-electrode-specific-cell-open-circuit-voltage-model-2309.17331"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/identifiability-study-of-lithium-ion-battery-capacity-fade-using-degradation-mode-sensitivity-for-a-minimally-and-intuitively-parametrized-electrode-specific-cell-open-circuit-voltage-model-2309.17331"/></url>
<url><loc>https://scifaro.com/en/abs/geometric-algebraic-approach-to-aqueous-solutions-of-diprotic-acids-and-its-buffer-mixtures-2309.17387</loc><lastmod>2023-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geometric-algebraic-approach-to-aqueous-solutions-of-diprotic-acids-and-its-buffer-mixtures-2309.17387"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geometric-algebraic-approach-to-aqueous-solutions-of-diprotic-acids-and-its-buffer-mixtures-2309.17387"/></url>
<url><loc>https://scifaro.com/en/abs/the-convexity-condition-of-density-functional-theory-2309.17443</loc><lastmod>2023-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-convexity-condition-of-density-functional-theory-2309.17443"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-convexity-condition-of-density-functional-theory-2309.17443"/></url>
<url><loc>https://scifaro.com/en/abs/theory-of-chemically-driven-pattern-formation-in-phase-separating-liquids-and-solids-2310.00219</loc><lastmod>2023-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-chemically-driven-pattern-formation-in-phase-separating-liquids-and-solids-2310.00219"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-chemically-driven-pattern-formation-in-phase-separating-liquids-and-solids-2310.00219"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-electron-transfer-dynamics-across-the-d-2-o-cs-cu-111-interface-the-impact-of-hydrogen-bonding-2310.00302</loc><lastmod>2023-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-electron-transfer-dynamics-across-the-d-2-o-cs-cu-111-interface-the-impact-of-hydrogen-bonding-2310.00302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-electron-transfer-dynamics-across-the-d-2-o-cs-cu-111-interface-the-impact-of-hydrogen-bonding-2310.00302"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-quantum-effects-in-the-acetylene-ammonia-plastic-co-crystal-2310.00480</loc><lastmod>2023-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-quantum-effects-in-the-acetylene-ammonia-plastic-co-crystal-2310.00480"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-quantum-effects-in-the-acetylene-ammonia-plastic-co-crystal-2310.00480"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-induction-lineshape-non-markovian-diffusion-with-boundaries-2310.00581</loc><lastmod>2024-01-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-induction-lineshape-non-markovian-diffusion-with-boundaries-2310.00581"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-induction-lineshape-non-markovian-diffusion-with-boundaries-2310.00581"/></url>
<url><loc>https://scifaro.com/en/abs/diffusion-controlled-reactions-an-overview-2310.01002</loc><lastmod>2025-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffusion-controlled-reactions-an-overview-2310.01002"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffusion-controlled-reactions-an-overview-2310.01002"/></url>
<url><loc>https://scifaro.com/en/abs/diffusion-controlled-reactions-with-non-markovian-binding-unbinding-kinetics-2310.01106</loc><lastmod>2023-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffusion-controlled-reactions-with-non-markovian-binding-unbinding-kinetics-2310.01106"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffusion-controlled-reactions-with-non-markovian-binding-unbinding-kinetics-2310.01106"/></url>
<url><loc>https://scifaro.com/en/abs/toward-accurate-post-born-oppenheimer-molecular-simulations-on-quantum-computers-an-adaptive-variational-eigensolver-with-nuclear-electronic-frozen-natural-orbitals-2310.01302</loc><lastmod>2023-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-accurate-post-born-oppenheimer-molecular-simulations-on-quantum-computers-an-adaptive-variational-eigensolver-with-nuclear-electronic-frozen-natural-orbitals-2310.01302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-accurate-post-born-oppenheimer-molecular-simulations-on-quantum-computers-an-adaptive-variational-eigensolver-with-nuclear-electronic-frozen-natural-orbitals-2310.01302"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-technique-and-electron-beam-damage-study-of-nanometer-thin-single-crystalline-thymine-2310.01599</loc><lastmod>2024-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-technique-and-electron-beam-damage-study-of-nanometer-thin-single-crystalline-thymine-2310.01599"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-technique-and-electron-beam-damage-study-of-nanometer-thin-single-crystalline-thymine-2310.01599"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-inspired-geminal-wavefunctions-2310.01764</loc><lastmod>2023-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-inspired-geminal-wavefunctions-2310.01764"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-inspired-geminal-wavefunctions-2310.01764"/></url>
<url><loc>https://scifaro.com/en/abs/scalar-relativistic-effects-with-multiwavelets-implementation-and-benchmark-2310.02149</loc><lastmod>2024-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scalar-relativistic-effects-with-multiwavelets-implementation-and-benchmark-2310.02149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scalar-relativistic-effects-with-multiwavelets-implementation-and-benchmark-2310.02149"/></url>
<url><loc>https://scifaro.com/en/abs/nonlinear-terahertz-polarizability-of-electrons-solvated-in-a-polar-liquid-2310.02689</loc><lastmod>2023-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonlinear-terahertz-polarizability-of-electrons-solvated-in-a-polar-liquid-2310.02689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonlinear-terahertz-polarizability-of-electrons-solvated-in-a-polar-liquid-2310.02689"/></url>
<url><loc>https://scifaro.com/en/abs/photoelectron-circular-dichroism-upon-multiphoton-ionization-of-a-chiral-alcohol-2310.02893</loc><lastmod>2023-10-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoelectron-circular-dichroism-upon-multiphoton-ionization-of-a-chiral-alcohol-2310.02893"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoelectron-circular-dichroism-upon-multiphoton-ionization-of-a-chiral-alcohol-2310.02893"/></url>
<url><loc>https://scifaro.com/en/abs/synergistic-fusion-of-graph-and-transformer-features-for-enhanced-molecular-property-prediction-2310.03027</loc><lastmod>2023-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synergistic-fusion-of-graph-and-transformer-features-for-enhanced-molecular-property-prediction-2310.03027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synergistic-fusion-of-graph-and-transformer-features-for-enhanced-molecular-property-prediction-2310.03027"/></url>
<url><loc>https://scifaro.com/en/abs/saf-smart-aggregation-framework-for-revealing-atoms-importance-rank-and-improving-prediction-rates-in-drug-discovery-2310.03028</loc><lastmod>2023-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/saf-smart-aggregation-framework-for-revealing-atoms-importance-rank-and-improving-prediction-rates-in-drug-discovery-2310.03028"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/saf-smart-aggregation-framework-for-revealing-atoms-importance-rank-and-improving-prediction-rates-in-drug-discovery-2310.03028"/></url>
<url><loc>https://scifaro.com/en/abs/magic-angle-spinning-effects-on-longitudinal-nmr-relaxation-15n-in-l-histidine-2310.03029</loc><lastmod>2023-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magic-angle-spinning-effects-on-longitudinal-nmr-relaxation-15n-in-l-histidine-2310.03029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magic-angle-spinning-effects-on-longitudinal-nmr-relaxation-15n-in-l-histidine-2310.03029"/></url>
<url><loc>https://scifaro.com/en/abs/gpt-molberta-gpt-molecular-features-language-model-for-molecular-property-prediction-2310.03030</loc><lastmod>2023-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gpt-molberta-gpt-molecular-features-language-model-for-molecular-property-prediction-2310.03030"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gpt-molberta-gpt-molecular-features-language-model-for-molecular-property-prediction-2310.03030"/></url>
<url><loc>https://scifaro.com/en/abs/differentiable-modeling-and-optimization-of-battery-electrolyte-mixtures-using-geometric-deep-learning-2310.03047</loc><lastmod>2023-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/differentiable-modeling-and-optimization-of-battery-electrolyte-mixtures-using-geometric-deep-learning-2310.03047"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/differentiable-modeling-and-optimization-of-battery-electrolyte-mixtures-using-geometric-deep-learning-2310.03047"/></url>
<url><loc>https://scifaro.com/en/abs/flexible-ansatz-for-n-body-perturbation-theory-2310.03096</loc><lastmod>2023-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/flexible-ansatz-for-n-body-perturbation-theory-2310.03096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/flexible-ansatz-for-n-body-perturbation-theory-2310.03096"/></url>
<url><loc>https://scifaro.com/en/abs/openmm-8-molecular-dynamics-simulation-with-machine-learning-potentials-2310.03121</loc><lastmod>2023-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/openmm-8-molecular-dynamics-simulation-with-machine-learning-potentials-2310.03121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/openmm-8-molecular-dynamics-simulation-with-machine-learning-potentials-2310.03121"/></url>
<url><loc>https://scifaro.com/en/abs/electrocatalytic-removal-of-persistent-organic-contaminants-at-molybdenum-doped-manganese-oxide-coated-tio2-nanotube-based-anode-2310.03390</loc><lastmod>2023-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrocatalytic-removal-of-persistent-organic-contaminants-at-molybdenum-doped-manganese-oxide-coated-tio2-nanotube-based-anode-2310.03390"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrocatalytic-removal-of-persistent-organic-contaminants-at-molybdenum-doped-manganese-oxide-coated-tio2-nanotube-based-anode-2310.03390"/></url>
<url><loc>https://scifaro.com/en/abs/detailed-thermal-characterization-on-a-48v-lithium-ion-battery-pack-during-charge-discharge-cycles-2310.03421</loc><lastmod>2025-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detailed-thermal-characterization-on-a-48v-lithium-ion-battery-pack-during-charge-discharge-cycles-2310.03421"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detailed-thermal-characterization-on-a-48v-lithium-ion-battery-pack-during-charge-discharge-cycles-2310.03421"/></url>
<url><loc>https://scifaro.com/en/abs/analyzing-multimodal-probability-measures-with-autoencoders-2310.03492</loc><lastmod>2024-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analyzing-multimodal-probability-measures-with-autoencoders-2310.03492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analyzing-multimodal-probability-measures-with-autoencoders-2310.03492"/></url>
<url><loc>https://scifaro.com/en/abs/reinforcement-learning-for-traversing-chemical-structure-space-optimizing-transition-states-and-minimum-energy-paths-of-molecules-2310.03511</loc><lastmod>2024-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reinforcement-learning-for-traversing-chemical-structure-space-optimizing-transition-states-and-minimum-energy-paths-of-molecules-2310.03511"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reinforcement-learning-for-traversing-chemical-structure-space-optimizing-transition-states-and-minimum-energy-paths-of-molecules-2310.03511"/></url>
<url><loc>https://scifaro.com/en/abs/a-theory-of-pitch-for-the-hydrodynamic-properties-of-molecules-helices-and-achiral-swimmers-at-low-reynolds-number-2310.03712</loc><lastmod>2023-10-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-theory-of-pitch-for-the-hydrodynamic-properties-of-molecules-helices-and-achiral-swimmers-at-low-reynolds-number-2310.03712"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-theory-of-pitch-for-the-hydrodynamic-properties-of-molecules-helices-and-achiral-swimmers-at-low-reynolds-number-2310.03712"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamically-optimized-machine-learned-reaction-coordinates-for-hydrophobic-ligand-dissociation-2310.03819</loc><lastmod>2024-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamically-optimized-machine-learned-reaction-coordinates-for-hydrophobic-ligand-dissociation-2310.03819"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamically-optimized-machine-learned-reaction-coordinates-for-hydrophobic-ligand-dissociation-2310.03819"/></url>
<url><loc>https://scifaro.com/en/abs/block2-a-comprehensive-open-source-framework-to-develop-and-apply-state-of-the-art-dmrg-algorithms-in-electronic-structure-and-beyond-2310.03920</loc><lastmod>2023-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/block2-a-comprehensive-open-source-framework-to-develop-and-apply-state-of-the-art-dmrg-algorithms-in-electronic-structure-and-beyond-2310.03920"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/block2-a-comprehensive-open-source-framework-to-develop-and-apply-state-of-the-art-dmrg-algorithms-in-electronic-structure-and-beyond-2310.03920"/></url>
<url><loc>https://scifaro.com/en/abs/many-body-expansion-based-on-variational-quantum-eigensolver-and-deflation-for-dynamical-correlation-2310.03954</loc><lastmod>2023-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-body-expansion-based-on-variational-quantum-eigensolver-and-deflation-for-dynamical-correlation-2310.03954"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-body-expansion-based-on-variational-quantum-eigensolver-and-deflation-for-dynamical-correlation-2310.03954"/></url>
<url><loc>https://scifaro.com/en/abs/investigations-of-the-exchange-energy-of-neutral-atoms-in-the-large-z-limit-2310.03982</loc><lastmod>2023-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigations-of-the-exchange-energy-of-neutral-atoms-in-the-large-z-limit-2310.03982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigations-of-the-exchange-energy-of-neutral-atoms-in-the-large-z-limit-2310.03982"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-affinity-of-chitin-and-chitosan-for-collagen-the-effect-of-ph-and-the-presence-of-sodium-and-calcium-cations-2310.04143</loc><lastmod>2023-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-affinity-of-chitin-and-chitosan-for-collagen-the-effect-of-ph-and-the-presence-of-sodium-and-calcium-cations-2310.04143"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-simulations-of-the-affinity-of-chitin-and-chitosan-for-collagen-the-effect-of-ph-and-the-presence-of-sodium-and-calcium-cations-2310.04143"/></url>
<url><loc>https://scifaro.com/en/abs/weberite-na-2-mm-f-7-m-m-redox-active-metal-as-promising-fluoride-based-sodium-ion-battery-cathodes-2310.04222</loc><lastmod>2024-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/weberite-na-2-mm-f-7-m-m-redox-active-metal-as-promising-fluoride-based-sodium-ion-battery-cathodes-2310.04222"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/weberite-na-2-mm-f-7-m-m-redox-active-metal-as-promising-fluoride-based-sodium-ion-battery-cathodes-2310.04222"/></url>
<url><loc>https://scifaro.com/en/abs/wide-dynamic-range-control-of-quantum-electrodynamic-electron-transfer-reactions-in-the-weak-coupling-regime-2310.04248</loc><lastmod>2023-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/wide-dynamic-range-control-of-quantum-electrodynamic-electron-transfer-reactions-in-the-weak-coupling-regime-2310.04248"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/wide-dynamic-range-control-of-quantum-electrodynamic-electron-transfer-reactions-in-the-weak-coupling-regime-2310.04248"/></url>
<url><loc>https://scifaro.com/en/abs/spin-vibronic-dynamics-in-open-shell-systems-beyond-the-spin-hamiltonian-formalism-2310.04278</loc><lastmod>2023-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-vibronic-dynamics-in-open-shell-systems-beyond-the-spin-hamiltonian-formalism-2310.04278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-vibronic-dynamics-in-open-shell-systems-beyond-the-spin-hamiltonian-formalism-2310.04278"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-the-condon-limit-condensed-phase-optical-spectra-from-atomistic-simulations-2310.04333</loc><lastmod>2023-10-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-the-condon-limit-condensed-phase-optical-spectra-from-atomistic-simulations-2310.04333"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-the-condon-limit-condensed-phase-optical-spectra-from-atomistic-simulations-2310.04333"/></url>
<url><loc>https://scifaro.com/en/abs/improved-initialization-of-optimal-path-calculations-using-sequential-traversal-over-the-image-dependent-pair-potential-surface-2310.04531</loc><lastmod>2023-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-initialization-of-optimal-path-calculations-using-sequential-traversal-over-the-image-dependent-pair-potential-surface-2310.04531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-initialization-of-optimal-path-calculations-using-sequential-traversal-over-the-image-dependent-pair-potential-surface-2310.04531"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-pythonic-coupled-cluster-implementations-a-comparison-between-cpus-and-gpus-2310.04559</loc><lastmod>2023-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-pythonic-coupled-cluster-implementations-a-comparison-between-cpus-and-gpus-2310.04559"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-pythonic-coupled-cluster-implementations-a-comparison-between-cpus-and-gpus-2310.04559"/></url>
<url><loc>https://scifaro.com/en/abs/which-model-density-is-best-in-pair-natural-orbital-local-correlation-theory-2310.05300</loc><lastmod>2023-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/which-model-density-is-best-in-pair-natural-orbital-local-correlation-theory-2310.05300"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/which-model-density-is-best-in-pair-natural-orbital-local-correlation-theory-2310.05300"/></url>
<url><loc>https://scifaro.com/en/abs/theory-and-modeling-of-molecular-modes-in-the-nmr-relaxation-of-fluids-2310.06106</loc><lastmod>2024-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-and-modeling-of-molecular-modes-in-the-nmr-relaxation-of-fluids-2310.06106"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-and-modeling-of-molecular-modes-in-the-nmr-relaxation-of-fluids-2310.06106"/></url>
<url><loc>https://scifaro.com/en/abs/probabilistic-and-maximum-entropy-modeling-of-chemical-reaction-systems-characteristics-and-comparisons-to-mass-action-kinetic-models-2310.06135</loc><lastmod>2024-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/probabilistic-and-maximum-entropy-modeling-of-chemical-reaction-systems-characteristics-and-comparisons-to-mass-action-kinetic-models-2310.06135"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/probabilistic-and-maximum-entropy-modeling-of-chemical-reaction-systems-characteristics-and-comparisons-to-mass-action-kinetic-models-2310.06135"/></url>
<url><loc>https://scifaro.com/en/abs/elevated-temperature-effects-t-100-deg-c-on-the-interfacial-water-and-microstructure-swelling-of-na-montmorillonite-2310.06377</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elevated-temperature-effects-t-100-deg-c-on-the-interfacial-water-and-microstructure-swelling-of-na-montmorillonite-2310.06377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elevated-temperature-effects-t-100-deg-c-on-the-interfacial-water-and-microstructure-swelling-of-na-montmorillonite-2310.06377"/></url>
<url><loc>https://scifaro.com/en/abs/electron-scattering-and-transport-in-simple-liquid-mixtures-2310.06426</loc><lastmod>2023-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-scattering-and-transport-in-simple-liquid-mixtures-2310.06426"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-scattering-and-transport-in-simple-liquid-mixtures-2310.06426"/></url>
<url><loc>https://scifaro.com/en/abs/kohn-sham-accuracy-from-orbital-free-density-functional-theory-via-delta-machine-learning-2310.06598</loc><lastmod>2023-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kohn-sham-accuracy-from-orbital-free-density-functional-theory-via-delta-machine-learning-2310.06598"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kohn-sham-accuracy-from-orbital-free-density-functional-theory-via-delta-machine-learning-2310.06598"/></url>
<url><loc>https://scifaro.com/en/abs/qsym-2-a-quantum-symbolic-symmetry-analysis-program-for-electronic-structure-2310.06749</loc><lastmod>2024-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qsym-2-a-quantum-symbolic-symmetry-analysis-program-for-electronic-structure-2310.06749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qsym-2-a-quantum-symbolic-symmetry-analysis-program-for-electronic-structure-2310.06749"/></url>
<url><loc>https://scifaro.com/en/abs/on-committor-functions-in-milestoning-2310.07280</loc><lastmod>2024-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-committor-functions-in-milestoning-2310.07280"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-committor-functions-in-milestoning-2310.07280"/></url>
<url><loc>https://scifaro.com/en/abs/giant-acceleration-of-diffusion-in-soft-matter-potential-2310.08003</loc><lastmod>2023-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/giant-acceleration-of-diffusion-in-soft-matter-potential-2310.08003"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/giant-acceleration-of-diffusion-in-soft-matter-potential-2310.08003"/></url>
<url><loc>https://scifaro.com/en/abs/size-effect-in-correlation-driven-charge-migration-in-correlation-bands-of-alkyne-chains-2310.08159</loc><lastmod>2025-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/size-effect-in-correlation-driven-charge-migration-in-correlation-bands-of-alkyne-chains-2310.08159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/size-effect-in-correlation-driven-charge-migration-in-correlation-bands-of-alkyne-chains-2310.08159"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-hydrodynamics-of-coupled-electron-nuclear-systems-2310.08766</loc><lastmod>2023-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-hydrodynamics-of-coupled-electron-nuclear-systems-2310.08766"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-hydrodynamics-of-coupled-electron-nuclear-systems-2310.08766"/></url>
<url><loc>https://scifaro.com/en/abs/photochemical-initiation-of-polariton-propagation-2310.08938</loc><lastmod>2024-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photochemical-initiation-of-polariton-propagation-2310.08938"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photochemical-initiation-of-polariton-propagation-2310.08938"/></url>
<url><loc>https://scifaro.com/en/abs/performance-of-a-pem-fuel-cell-cathode-catalyst-layer-under-oscillating-potential-and-oxygen-supply-2310.08945</loc><lastmod>2023-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performance-of-a-pem-fuel-cell-cathode-catalyst-layer-under-oscillating-potential-and-oxygen-supply-2310.08945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performance-of-a-pem-fuel-cell-cathode-catalyst-layer-under-oscillating-potential-and-oxygen-supply-2310.08945"/></url>
<url><loc>https://scifaro.com/en/abs/how-chromophore-labels-shape-the-structure-and-dynamics-of-a-peptide-hydrogel-2310.09142</loc><lastmod>2023-10-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-chromophore-labels-shape-the-structure-and-dynamics-of-a-peptide-hydrogel-2310.09142"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-chromophore-labels-shape-the-structure-and-dynamics-of-a-peptide-hydrogel-2310.09142"/></url>
<url><loc>https://scifaro.com/en/abs/qubit-count-reduction-by-orthogonally-constrained-orbital-optimization-for-variational-quantum-excited-states-solvers-2310.09418</loc><lastmod>2024-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qubit-count-reduction-by-orthogonally-constrained-orbital-optimization-for-variational-quantum-excited-states-solvers-2310.09418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qubit-count-reduction-by-orthogonally-constrained-orbital-optimization-for-variational-quantum-excited-states-solvers-2310.09418"/></url>
<url><loc>https://scifaro.com/en/abs/twisted-dna-origami-based-chiral-monolayers-for-spin-filtering-2310.09475</loc><lastmod>2023-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/twisted-dna-origami-based-chiral-monolayers-for-spin-filtering-2310.09475"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/twisted-dna-origami-based-chiral-monolayers-for-spin-filtering-2310.09475"/></url>
<url><loc>https://scifaro.com/en/abs/exploratory-data-science-on-supercomputers-for-quantum-mechanical-calculations-2310.09552</loc><lastmod>2024-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploratory-data-science-on-supercomputers-for-quantum-mechanical-calculations-2310.09552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploratory-data-science-on-supercomputers-for-quantum-mechanical-calculations-2310.09552"/></url>
<url><loc>https://scifaro.com/en/abs/generalization-of-one-center-non-orthogonal-configuration-interaction-singles-to-open-shell-singlet-reference-states-theory-and-application-to-valence-core-pump-probe-states-in-acetylacetone-2310.09684</loc><lastmod>2024-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalization-of-one-center-non-orthogonal-configuration-interaction-singles-to-open-shell-singlet-reference-states-theory-and-application-to-valence-core-pump-probe-states-in-acetylacetone-2310.09684"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalization-of-one-center-non-orthogonal-configuration-interaction-singles-to-open-shell-singlet-reference-states-theory-and-application-to-valence-core-pump-probe-states-in-acetylacetone-2310.09684"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-many-body-green-s-functions-for-molecular-excitation-spectra-2310.09911</loc><lastmod>2023-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-many-body-green-s-functions-for-molecular-excitation-spectra-2310.09911"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-many-body-green-s-functions-for-molecular-excitation-spectra-2310.09911"/></url>
<url><loc>https://scifaro.com/en/abs/high-resolution-spectroscopy-of-the-nu-3-antisymmetric-c-h-stretch-of-c-2-h-2-using-leak-out-action-spectroscopy-2310.10186</loc><lastmod>2023-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-resolution-spectroscopy-of-the-nu-3-antisymmetric-c-h-stretch-of-c-2-h-2-using-leak-out-action-spectroscopy-2310.10186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-resolution-spectroscopy-of-the-nu-3-antisymmetric-c-h-stretch-of-c-2-h-2-using-leak-out-action-spectroscopy-2310.10186"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-electron-nuclear-dynamics-induced-and-monitored-with-femtosecond-soft-x-ray-pulses-in-the-amino-acid-glycine-2310.10229</loc><lastmod>2024-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-electron-nuclear-dynamics-induced-and-monitored-with-femtosecond-soft-x-ray-pulses-in-the-amino-acid-glycine-2310.10229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-electron-nuclear-dynamics-induced-and-monitored-with-femtosecond-soft-x-ray-pulses-in-the-amino-acid-glycine-2310.10229"/></url>
<url><loc>https://scifaro.com/en/abs/interfaces-govern-structure-of-angstrom-scale-confined-water-2310.10354</loc><lastmod>2024-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interfaces-govern-structure-of-angstrom-scale-confined-water-2310.10354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interfaces-govern-structure-of-angstrom-scale-confined-water-2310.10354"/></url>
<url><loc>https://scifaro.com/en/abs/pepico-analysis-of-catalytic-reactor-effluents-towards-quantitative-isomer-discrimination-dme-conversion-over-a-zsm-5-zeolite-2310.10364</loc><lastmod>2024-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pepico-analysis-of-catalytic-reactor-effluents-towards-quantitative-isomer-discrimination-dme-conversion-over-a-zsm-5-zeolite-2310.10364"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pepico-analysis-of-catalytic-reactor-effluents-towards-quantitative-isomer-discrimination-dme-conversion-over-a-zsm-5-zeolite-2310.10364"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-hardware-calculations-of-the-activation-and-dissociation-of-nitrogen-on-iron-clusters-and-surfaces-2310.10478</loc><lastmod>2023-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-hardware-calculations-of-the-activation-and-dissociation-of-nitrogen-on-iron-clusters-and-surfaces-2310.10478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-hardware-calculations-of-the-activation-and-dissociation-of-nitrogen-on-iron-clusters-and-surfaces-2310.10478"/></url>
<url><loc>https://scifaro.com/en/abs/mofdiff-coarse-grained-diffusion-for-metal-organic-framework-design-2310.10732</loc><lastmod>2023-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mofdiff-coarse-grained-diffusion-for-metal-organic-framework-design-2310.10732"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mofdiff-coarse-grained-diffusion-for-metal-organic-framework-design-2310.10732"/></url>
<url><loc>https://scifaro.com/en/abs/variational-determination-of-the-two-electron-reduced-density-matrix-a-tutorial-review-2310.10746</loc><lastmod>2023-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-determination-of-the-two-electron-reduced-density-matrix-a-tutorial-review-2310.10746"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-determination-of-the-two-electron-reduced-density-matrix-a-tutorial-review-2310.10746"/></url>
<url><loc>https://scifaro.com/en/abs/benchmarking-the-accuracy-of-the-separable-resolution-of-the-identity-approach-for-correlated-methods-in-the-numeric-atom-centered-orbitals-framework-2310.11058</loc><lastmod>2024-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-the-accuracy-of-the-separable-resolution-of-the-identity-approach-for-correlated-methods-in-the-numeric-atom-centered-orbitals-framework-2310.11058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-the-accuracy-of-the-separable-resolution-of-the-identity-approach-for-correlated-methods-in-the-numeric-atom-centered-orbitals-framework-2310.11058"/></url>
<url><loc>https://scifaro.com/en/abs/second-order-adiabatic-connection-the-theory-and-application-to-two-electrons-in-a-parabolic-confinement-2310.11073</loc><lastmod>2023-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/second-order-adiabatic-connection-the-theory-and-application-to-two-electrons-in-a-parabolic-confinement-2310.11073"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/second-order-adiabatic-connection-the-theory-and-application-to-two-electrons-in-a-parabolic-confinement-2310.11073"/></url>
<url><loc>https://scifaro.com/en/abs/the-influence-of-microwave-pulse-conditions-on-enantiomer-specific-state-transfer-2310.11120</loc><lastmod>2023-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-influence-of-microwave-pulse-conditions-on-enantiomer-specific-state-transfer-2310.11120"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-influence-of-microwave-pulse-conditions-on-enantiomer-specific-state-transfer-2310.11120"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-nature-of-polariton-transport-in-a-fabry-perot-cavity-2310.11228</loc><lastmod>2023-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-nature-of-polariton-transport-in-a-fabry-perot-cavity-2310.11228"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-nature-of-polariton-transport-in-a-fabry-perot-cavity-2310.11228"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-polymerization-reactions-via-transfer-learning-using-chemical-language-models-2310.11423</loc><lastmod>2023-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-polymerization-reactions-via-transfer-learning-using-chemical-language-models-2310.11423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-polymerization-reactions-via-transfer-learning-using-chemical-language-models-2310.11423"/></url>
<url><loc>https://scifaro.com/en/abs/catalytically-active-nanbo3-nanorods-for-sonodynamic-cancer-therapy-2310.11793</loc><lastmod>2023-10-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catalytically-active-nanbo3-nanorods-for-sonodynamic-cancer-therapy-2310.11793"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catalytically-active-nanbo3-nanorods-for-sonodynamic-cancer-therapy-2310.11793"/></url>
<url><loc>https://scifaro.com/en/abs/fast-quasi-centroid-molecular-dynamics-for-water-and-ice-2310.12246</loc><lastmod>2023-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-quasi-centroid-molecular-dynamics-for-water-and-ice-2310.12246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-quasi-centroid-molecular-dynamics-for-water-and-ice-2310.12246"/></url>
<url><loc>https://scifaro.com/en/abs/improved-prediction-of-molecular-response-to-pulling-by-combining-force-tempering-with-replica-exchange-methods-2310.12329</loc><lastmod>2023-10-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-prediction-of-molecular-response-to-pulling-by-combining-force-tempering-with-replica-exchange-methods-2310.12329"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-prediction-of-molecular-response-to-pulling-by-combining-force-tempering-with-replica-exchange-methods-2310.12329"/></url>
<url><loc>https://scifaro.com/en/abs/scalable-molecular-simulation-of-electrolyte-solutions-with-quantum-chemical-accuracy-2310.12535</loc><lastmod>2024-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scalable-molecular-simulation-of-electrolyte-solutions-with-quantum-chemical-accuracy-2310.12535"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scalable-molecular-simulation-of-electrolyte-solutions-with-quantum-chemical-accuracy-2310.12535"/></url>
<url><loc>https://scifaro.com/en/abs/variational-lang-firsov-approach-plus-m-o-ller-plesset-perturbation-theory-with-applications-to-ab-initio-polariton-chemistry-2310.13084</loc><lastmod>2024-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-lang-firsov-approach-plus-m-o-ller-plesset-perturbation-theory-with-applications-to-ab-initio-polariton-chemistry-2310.13084"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-lang-firsov-approach-plus-m-o-ller-plesset-perturbation-theory-with-applications-to-ab-initio-polariton-chemistry-2310.13084"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-power-density-unexpected-scaling-laws-in-scale-up-of-characterization-of-reverse-electro-dialysis-membranes-2310.13510</loc><lastmod>2023-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-power-density-unexpected-scaling-laws-in-scale-up-of-characterization-of-reverse-electro-dialysis-membranes-2310.13510"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-power-density-unexpected-scaling-laws-in-scale-up-of-characterization-of-reverse-electro-dialysis-membranes-2310.13510"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-downfolding-using-ground-state-formalisms-2310.13752</loc><lastmod>2023-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-downfolding-using-ground-state-formalisms-2310.13752"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-downfolding-using-ground-state-formalisms-2310.13752"/></url>
<url><loc>https://scifaro.com/en/abs/learning-interatomic-potentials-at-multiple-scales-2310.13756</loc><lastmod>2023-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-interatomic-potentials-at-multiple-scales-2310.13756"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-interatomic-potentials-at-multiple-scales-2310.13756"/></url>
<url><loc>https://scifaro.com/en/abs/kubo-anderson-theory-of-polariton-lineshape-2310.13860</loc><lastmod>2023-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kubo-anderson-theory-of-polariton-lineshape-2310.13860"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kubo-anderson-theory-of-polariton-lineshape-2310.13860"/></url>
<url><loc>https://scifaro.com/en/abs/boundary-homogenization-for-target-search-problems-2310.14322</loc><lastmod>2023-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/boundary-homogenization-for-target-search-problems-2310.14322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/boundary-homogenization-for-target-search-problems-2310.14322"/></url>
<url><loc>https://scifaro.com/en/abs/what-to-make-of-zero-resolving-the-statistical-noise-from-conformational-reorganization-in-alchemical-binding-free-energy-estimates-with-metadynamics-sampling-2310.14350</loc><lastmod>2023-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/what-to-make-of-zero-resolving-the-statistical-noise-from-conformational-reorganization-in-alchemical-binding-free-energy-estimates-with-metadynamics-sampling-2310.14350"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/what-to-make-of-zero-resolving-the-statistical-noise-from-conformational-reorganization-in-alchemical-binding-free-energy-estimates-with-metadynamics-sampling-2310.14350"/></url>
<url><loc>https://scifaro.com/en/abs/elastic-and-inelastic-diffraction-of-fast-neon-atoms-on-a-lif-surface-2310.14619</loc><lastmod>2023-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elastic-and-inelastic-diffraction-of-fast-neon-atoms-on-a-lif-surface-2310.14619"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elastic-and-inelastic-diffraction-of-fast-neon-atoms-on-a-lif-surface-2310.14619"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-integral-equations-theory-in-the-near-critical-region-of-co2-2310.14667</loc><lastmod>2024-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-integral-equations-theory-in-the-near-critical-region-of-co2-2310.14667"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-integral-equations-theory-in-the-near-critical-region-of-co2-2310.14667"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-mass-and-size-corrections-to-the-magnetic-shielding-2310.14933</loc><lastmod>2023-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-mass-and-size-corrections-to-the-magnetic-shielding-2310.14933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-mass-and-size-corrections-to-the-magnetic-shielding-2310.14933"/></url>
<url><loc>https://scifaro.com/en/abs/electric-fields-in-liquid-water-irradiated-with-protons-at-ultrahigh-dose-rates-2310.15249</loc><lastmod>2023-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electric-fields-in-liquid-water-irradiated-with-protons-at-ultrahigh-dose-rates-2310.15249"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electric-fields-in-liquid-water-irradiated-with-protons-at-ultrahigh-dose-rates-2310.15249"/></url>
<url><loc>https://scifaro.com/en/abs/a-theoretical-perspective-on-the-photochemistry-of-boron-nitrogen-lewis-adducts-2310.15268</loc><lastmod>2024-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-theoretical-perspective-on-the-photochemistry-of-boron-nitrogen-lewis-adducts-2310.15268"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-theoretical-perspective-on-the-photochemistry-of-boron-nitrogen-lewis-adducts-2310.15268"/></url>
<url><loc>https://scifaro.com/en/abs/natural-liquid-organic-hydrogen-carrier-with-low-dehydrogenation-energy-a-first-principles-study-2310.15510</loc><lastmod>2023-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/natural-liquid-organic-hydrogen-carrier-with-low-dehydrogenation-energy-a-first-principles-study-2310.15510"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/natural-liquid-organic-hydrogen-carrier-with-low-dehydrogenation-energy-a-first-principles-study-2310.15510"/></url>
<url><loc>https://scifaro.com/en/abs/label-free-imaging-of-catalytic-h2o2-decomposition-on-single-colloidal-pt-nanoparticles-using-nanofluidic-scattering-microscopy-2310.15562</loc><lastmod>2023-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/label-free-imaging-of-catalytic-h2o2-decomposition-on-single-colloidal-pt-nanoparticles-using-nanofluidic-scattering-microscopy-2310.15562"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/label-free-imaging-of-catalytic-h2o2-decomposition-on-single-colloidal-pt-nanoparticles-using-nanofluidic-scattering-microscopy-2310.15562"/></url>
<url><loc>https://scifaro.com/en/abs/unveiling-low-thz-dynamics-of-liquid-crystals-identification-of-intermolecular-interaction-among-intramolecular-modes-2310.15567</loc><lastmod>2023-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unveiling-low-thz-dynamics-of-liquid-crystals-identification-of-intermolecular-interaction-among-intramolecular-modes-2310.15567"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unveiling-low-thz-dynamics-of-liquid-crystals-identification-of-intermolecular-interaction-among-intramolecular-modes-2310.15567"/></url>
<url><loc>https://scifaro.com/en/abs/singlet-fission-spin-dynamics-from-molecular-structure-a-modular-computational-pipeline-2310.15678</loc><lastmod>2023-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/singlet-fission-spin-dynamics-from-molecular-structure-a-modular-computational-pipeline-2310.15678"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/singlet-fission-spin-dynamics-from-molecular-structure-a-modular-computational-pipeline-2310.15678"/></url>
<url><loc>https://scifaro.com/en/abs/universal-method-to-extract-the-average-electron-spin-relaxation-in-organic-semiconductors-from-muonium-alc-resonances-2310.16934</loc><lastmod>2023-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universal-method-to-extract-the-average-electron-spin-relaxation-in-organic-semiconductors-from-muonium-alc-resonances-2310.16934"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universal-method-to-extract-the-average-electron-spin-relaxation-in-organic-semiconductors-from-muonium-alc-resonances-2310.16934"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-optimized-density-functional-calculations-of-molecular-rydberg-excited-states-with-real-space-grid-representation-and-self-interaction-correction-2310.17605</loc><lastmod>2023-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-optimized-density-functional-calculations-of-molecular-rydberg-excited-states-with-real-space-grid-representation-and-self-interaction-correction-2310.17605"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-optimized-density-functional-calculations-of-molecular-rydberg-excited-states-with-real-space-grid-representation-and-self-interaction-correction-2310.17605"/></url>
<url><loc>https://scifaro.com/en/abs/reaching-high-accuracy-for-energetic-properties-at-second-order-perturbation-cost-by-merging-self-consistency-and-spin-opposite-scaling-2310.18154</loc><lastmod>2023-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reaching-high-accuracy-for-energetic-properties-at-second-order-perturbation-cost-by-merging-self-consistency-and-spin-opposite-scaling-2310.18154"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reaching-high-accuracy-for-energetic-properties-at-second-order-perturbation-cost-by-merging-self-consistency-and-spin-opposite-scaling-2310.18154"/></url>
<url><loc>https://scifaro.com/en/abs/first-principles-molecular-quantum-electrodynamics-theory-at-all-coupling-strengths-2310.18228</loc><lastmod>2023-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/first-principles-molecular-quantum-electrodynamics-theory-at-all-coupling-strengths-2310.18228"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/first-principles-molecular-quantum-electrodynamics-theory-at-all-coupling-strengths-2310.18228"/></url>
<url><loc>https://scifaro.com/en/abs/evaluation-of-the-textit-breit-hartree-contribution-to-the-total-energy-of-open-atomic-shells-2310.18314</loc><lastmod>2023-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evaluation-of-the-textit-breit-hartree-contribution-to-the-total-energy-of-open-atomic-shells-2310.18314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evaluation-of-the-textit-breit-hartree-contribution-to-the-total-energy-of-open-atomic-shells-2310.18314"/></url>
<url><loc>https://scifaro.com/en/abs/self-interaction-correction-schemes-for-non-collinear-spin-density-functional-theory-2310.18321</loc><lastmod>2023-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-interaction-correction-schemes-for-non-collinear-spin-density-functional-theory-2310.18321"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-interaction-correction-schemes-for-non-collinear-spin-density-functional-theory-2310.18321"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-resolution-of-identity-to-cc2-for-large-systems-excited-state-properties-2310.18350</loc><lastmod>2023-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-resolution-of-identity-to-cc2-for-large-systems-excited-state-properties-2310.18350"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-resolution-of-identity-to-cc2-for-large-systems-excited-state-properties-2310.18350"/></url>
<url><loc>https://scifaro.com/en/abs/unsupervised-learning-of-molecular-embeddings-for-enhanced-clustering-and-emergent-properties-for-chemical-compounds-2310.18367</loc><lastmod>2023-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unsupervised-learning-of-molecular-embeddings-for-enhanced-clustering-and-emergent-properties-for-chemical-compounds-2310.18367"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unsupervised-learning-of-molecular-embeddings-for-enhanced-clustering-and-emergent-properties-for-chemical-compounds-2310.18367"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-reference-points-in-machine-learned-atomistic-simulation-models-2310.18552</loc><lastmod>2023-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-reference-points-in-machine-learned-atomistic-simulation-models-2310.18552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-reference-points-in-machine-learned-atomistic-simulation-models-2310.18552"/></url>
<url><loc>https://scifaro.com/en/abs/systematic-improvement-of-empirical-energy-functions-in-the-era-of-machine-learning-2310.18655</loc><lastmod>2023-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematic-improvement-of-empirical-energy-functions-in-the-era-of-machine-learning-2310.18655"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematic-improvement-of-empirical-energy-functions-in-the-era-of-machine-learning-2310.18655"/></url>
<url><loc>https://scifaro.com/en/abs/accelerated-bayesian-inference-for-molecular-simulations-using-local-gaussian-process-surrogate-models-2310.19108</loc><lastmod>2024-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerated-bayesian-inference-for-molecular-simulations-using-local-gaussian-process-surrogate-models-2310.19108"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerated-bayesian-inference-for-molecular-simulations-using-local-gaussian-process-surrogate-models-2310.19108"/></url>
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<url><loc>https://scifaro.com/en/abs/exchange-only-virial-relation-from-the-adiabatic-connection-2310.19144</loc><lastmod>2024-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-only-virial-relation-from-the-adiabatic-connection-2310.19144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-only-virial-relation-from-the-adiabatic-connection-2310.19144"/></url>
<url><loc>https://scifaro.com/en/abs/computing-decay-widths-of-autoionizing-rydberg-states-with-complex-variable-coupled-cluster-theory-2310.19377</loc><lastmod>2023-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computing-decay-widths-of-autoionizing-rydberg-states-with-complex-variable-coupled-cluster-theory-2310.19377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computing-decay-widths-of-autoionizing-rydberg-states-with-complex-variable-coupled-cluster-theory-2310.19377"/></url>
<url><loc>https://scifaro.com/en/abs/heptazine-cyclazine-and-related-compounds-chemically-accurate-estimates-of-the-inverted-singlet-triplet-gap-2310.19768</loc><lastmod>2024-02-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heptazine-cyclazine-and-related-compounds-chemically-accurate-estimates-of-the-inverted-singlet-triplet-gap-2310.19768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heptazine-cyclazine-and-related-compounds-chemically-accurate-estimates-of-the-inverted-singlet-triplet-gap-2310.19768"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-formulation-of-multitime-generalized-quantum-master-equations-taming-the-cost-of-simulating-2d-spectra-2310.20022</loc><lastmod>2024-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-formulation-of-multitime-generalized-quantum-master-equations-taming-the-cost-of-simulating-2d-spectra-2310.20022"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-formulation-of-multitime-generalized-quantum-master-equations-taming-the-cost-of-simulating-2d-spectra-2310.20022"/></url>
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<url><loc>https://scifaro.com/en/abs/mlatom-3-platform-for-machine-learning-enhanced-computational-chemistry-simulations-and-workflows-2310.20155</loc><lastmod>2024-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mlatom-3-platform-for-machine-learning-enhanced-computational-chemistry-simulations-and-workflows-2310.20155"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mlatom-3-platform-for-machine-learning-enhanced-computational-chemistry-simulations-and-workflows-2310.20155"/></url>
<url><loc>https://scifaro.com/en/abs/bayesian-multistate-bennett-acceptance-ratio-methods-2310.20699</loc><lastmod>2024-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bayesian-multistate-bennett-acceptance-ratio-methods-2310.20699"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bayesian-multistate-bennett-acceptance-ratio-methods-2310.20699"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-for-accuracy-in-density-functional-approximations-2311.00196</loc><lastmod>2025-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-for-accuracy-in-density-functional-approximations-2311.00196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-for-accuracy-in-density-functional-approximations-2311.00196"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-excited-states-from-physically-constrained-machine-learning-2311.00844</loc><lastmod>2023-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-excited-states-from-physically-constrained-machine-learning-2311.00844"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-excited-states-from-physically-constrained-machine-learning-2311.00844"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-structural-and-conformational-diversity-for-machine-learning-potentials-2311.00862</loc><lastmod>2023-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-structural-and-conformational-diversity-for-machine-learning-potentials-2311.00862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-structural-and-conformational-diversity-for-machine-learning-potentials-2311.00862"/></url>
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<url><loc>https://scifaro.com/en/abs/test-of-the-orbital-based-li3-index-as-a-predictor-of-the-height-of-the-3-mlct-rightarrow-3-mc-transition-state-barrier-for-gas-phase-ru-n-wedge-n-3-2-polypyridine-complexes-2311.01704</loc><lastmod>2023-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/test-of-the-orbital-based-li3-index-as-a-predictor-of-the-height-of-the-3-mlct-rightarrow-3-mc-transition-state-barrier-for-gas-phase-ru-n-wedge-n-3-2-polypyridine-complexes-2311.01704"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/test-of-the-orbital-based-li3-index-as-a-predictor-of-the-height-of-the-3-mlct-rightarrow-3-mc-transition-state-barrier-for-gas-phase-ru-n-wedge-n-3-2-polypyridine-complexes-2311.01704"/></url>
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<url><loc>https://scifaro.com/en/abs/absorption-spectra-of-the-purple-nonsulfur-bacteria-light-harvesting-complex-a-dft-study-of-the-b800-part-2311.02024</loc><lastmod>2024-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absorption-spectra-of-the-purple-nonsulfur-bacteria-light-harvesting-complex-a-dft-study-of-the-b800-part-2311.02024"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absorption-spectra-of-the-purple-nonsulfur-bacteria-light-harvesting-complex-a-dft-study-of-the-b800-part-2311.02024"/></url>
<url><loc>https://scifaro.com/en/abs/revealing-local-field-effects-at-the-electrical-double-layer-with-efficient-open-boundary-simulations-under-potential-control-2311.02060</loc><lastmod>2023-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revealing-local-field-effects-at-the-electrical-double-layer-with-efficient-open-boundary-simulations-under-potential-control-2311.02060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revealing-local-field-effects-at-the-electrical-double-layer-with-efficient-open-boundary-simulations-under-potential-control-2311.02060"/></url>
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<url><loc>https://scifaro.com/en/abs/molecular-tuning-of-dna-framework-programmed-silicification-by-cationic-silica-cluster-attachment-2311.02674</loc><lastmod>2023-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-tuning-of-dna-framework-programmed-silicification-by-cationic-silica-cluster-attachment-2311.02674"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-tuning-of-dna-framework-programmed-silicification-by-cationic-silica-cluster-attachment-2311.02674"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-regression-analyses-of-intensity-modulation-two-photon-spectroscopy-mlim-in-perovskite-microcrystals-2311.02788</loc><lastmod>2023-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-regression-analyses-of-intensity-modulation-two-photon-spectroscopy-mlim-in-perovskite-microcrystals-2311.02788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-regression-analyses-of-intensity-modulation-two-photon-spectroscopy-mlim-in-perovskite-microcrystals-2311.02788"/></url>
<url><loc>https://scifaro.com/en/abs/a-distributed-multi-gpu-ab-initio-density-matrix-renormalization-group-algorithm-with-applications-to-the-p-cluster-of-nitrogenase-2311.02854</loc><lastmod>2023-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-distributed-multi-gpu-ab-initio-density-matrix-renormalization-group-algorithm-with-applications-to-the-p-cluster-of-nitrogenase-2311.02854"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-distributed-multi-gpu-ab-initio-density-matrix-renormalization-group-algorithm-with-applications-to-the-p-cluster-of-nitrogenase-2311.02854"/></url>
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<url><loc>https://scifaro.com/en/abs/non-interacting-particle-systems-in-the-bi-orthogonal-and-unitary-coupled-cluster-description-2311.03229</loc><lastmod>2023-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-interacting-particle-systems-in-the-bi-orthogonal-and-unitary-coupled-cluster-description-2311.03229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-interacting-particle-systems-in-the-bi-orthogonal-and-unitary-coupled-cluster-description-2311.03229"/></url>
<url><loc>https://scifaro.com/en/abs/4-component-relativistic-calculations-in-a-multiwavelet-basis-with-improved-convergence-2311.03290</loc><lastmod>2026-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/4-component-relativistic-calculations-in-a-multiwavelet-basis-with-improved-convergence-2311.03290"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/4-component-relativistic-calculations-in-a-multiwavelet-basis-with-improved-convergence-2311.03290"/></url>
<url><loc>https://scifaro.com/en/abs/spectral-maps-for-learning-reduced-representations-of-molecular-systems-2311.03641</loc><lastmod>2024-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectral-maps-for-learning-reduced-representations-of-molecular-systems-2311.03641"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectral-maps-for-learning-reduced-representations-of-molecular-systems-2311.03641"/></url>
<url><loc>https://scifaro.com/en/abs/extracting-human-interpretable-structure-property-relationships-in-chemistry-using-xai-and-large-language-models-2311.04047</loc><lastmod>2023-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extracting-human-interpretable-structure-property-relationships-in-chemistry-using-xai-and-large-language-models-2311.04047"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extracting-human-interpretable-structure-property-relationships-in-chemistry-using-xai-and-large-language-models-2311.04047"/></url>
<url><loc>https://scifaro.com/en/abs/initial-stages-of-water-absorption-on-mathbf-ceo-2-surfaces-at-very-low-temperatures-for-understanding-anti-icing-coatings-2311.04639</loc><lastmod>2025-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/initial-stages-of-water-absorption-on-mathbf-ceo-2-surfaces-at-very-low-temperatures-for-understanding-anti-icing-coatings-2311.04639"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/initial-stages-of-water-absorption-on-mathbf-ceo-2-surfaces-at-very-low-temperatures-for-understanding-anti-icing-coatings-2311.04639"/></url>
<url><loc>https://scifaro.com/en/abs/transferability-of-atomic-energies-from-alchemical-decomposition-2311.04784</loc><lastmod>2023-11-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transferability-of-atomic-energies-from-alchemical-decomposition-2311.04784"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transferability-of-atomic-energies-from-alchemical-decomposition-2311.04784"/></url>
<url><loc>https://scifaro.com/en/abs/time-evolution-of-natural-orbitals-in-ab-initio-molecular-dynamics-2311.04802</loc><lastmod>2024-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-evolution-of-natural-orbitals-in-ab-initio-molecular-dynamics-2311.04802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-evolution-of-natural-orbitals-in-ab-initio-molecular-dynamics-2311.04802"/></url>
<url><loc>https://scifaro.com/en/abs/a-million-cycles-in-a-day-enabling-high-throughput-computing-of-lithium-ion-battery-degradation-with-physics-based-models-2311.05093</loc><lastmod>2024-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-million-cycles-in-a-day-enabling-high-throughput-computing-of-lithium-ion-battery-degradation-with-physics-based-models-2311.05093"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-million-cycles-in-a-day-enabling-high-throughput-computing-of-lithium-ion-battery-degradation-with-physics-based-models-2311.05093"/></url>
<url><loc>https://scifaro.com/en/abs/time-resolved-coulomb-explosion-imaging-unveils-ultrafast-ring-opening-of-furan-2311.05099</loc><lastmod>2023-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-resolved-coulomb-explosion-imaging-unveils-ultrafast-ring-opening-of-furan-2311.05099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-resolved-coulomb-explosion-imaging-unveils-ultrafast-ring-opening-of-furan-2311.05099"/></url>
<url><loc>https://scifaro.com/en/abs/perfecting-liquid-state-theories-with-machine-intelligence-2311.05167</loc><lastmod>2023-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/perfecting-liquid-state-theories-with-machine-intelligence-2311.05167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/perfecting-liquid-state-theories-with-machine-intelligence-2311.05167"/></url>
<url><loc>https://scifaro.com/en/abs/the-gw-approximation-a-quantum-chemistry-perspective-2311.05351</loc><lastmod>2024-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-gw-approximation-a-quantum-chemistry-perspective-2311.05351"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-gw-approximation-a-quantum-chemistry-perspective-2311.05351"/></url>
<url><loc>https://scifaro.com/en/abs/p1-center-electron-spin-clusters-are-prevalent-in-type-ib-diamond-2311.05396</loc><lastmod>2023-11-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/p1-center-electron-spin-clusters-are-prevalent-in-type-ib-diamond-2311.05396"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/p1-center-electron-spin-clusters-are-prevalent-in-type-ib-diamond-2311.05396"/></url>
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<url><loc>https://scifaro.com/en/abs/lithium-ion-battery-degradation-using-degradation-mode-analysis-to-validate-lifetime-prediction-modelling-2311.05482</loc><lastmod>2024-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lithium-ion-battery-degradation-using-degradation-mode-analysis-to-validate-lifetime-prediction-modelling-2311.05482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lithium-ion-battery-degradation-using-degradation-mode-analysis-to-validate-lifetime-prediction-modelling-2311.05482"/></url>
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<url><loc>https://scifaro.com/en/abs/a-two-step-rayleigh-schr-odinger-brillouin-wigner-approach-to-transition-energies-2311.08356</loc><lastmod>2023-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-two-step-rayleigh-schr-odinger-brillouin-wigner-approach-to-transition-energies-2311.08356"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-two-step-rayleigh-schr-odinger-brillouin-wigner-approach-to-transition-energies-2311.08356"/></url>
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<url><loc>https://scifaro.com/en/abs/recovering-marcus-theory-rates-and-beyond-without-the-need-for-decoherence-corrections-the-mapping-approach-to-surface-hopping-2311.08802</loc><lastmod>2023-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recovering-marcus-theory-rates-and-beyond-without-the-need-for-decoherence-corrections-the-mapping-approach-to-surface-hopping-2311.08802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recovering-marcus-theory-rates-and-beyond-without-the-need-for-decoherence-corrections-the-mapping-approach-to-surface-hopping-2311.08802"/></url>
<url><loc>https://scifaro.com/en/abs/bending-relaxation-of-h-2-o-by-collision-with-para-and-ortho-h-2-2311.08956</loc><lastmod>2023-11-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bending-relaxation-of-h-2-o-by-collision-with-para-and-ortho-h-2-2311.08956"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bending-relaxation-of-h-2-o-by-collision-with-para-and-ortho-h-2-2311.08956"/></url>
<url><loc>https://scifaro.com/en/abs/comprehensive-quantum-calculation-of-the-first-dielectric-virial-coefficient-of-water-2311.09722</loc><lastmod>2024-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comprehensive-quantum-calculation-of-the-first-dielectric-virial-coefficient-of-water-2311.09722"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comprehensive-quantum-calculation-of-the-first-dielectric-virial-coefficient-of-water-2311.09722"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-for-polaritonic-chemistry-accessing-chemical-kinetics-2311.09739</loc><lastmod>2024-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-for-polaritonic-chemistry-accessing-chemical-kinetics-2311.09739"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-for-polaritonic-chemistry-accessing-chemical-kinetics-2311.09739"/></url>
<url><loc>https://scifaro.com/en/abs/tensor-sqra-modeling-the-transition-rates-of-interacting-molecular-systems-in-terms-of-potential-energies-2311.09779</loc><lastmod>2024-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tensor-sqra-modeling-the-transition-rates-of-interacting-molecular-systems-in-terms-of-potential-energies-2311.09779"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tensor-sqra-modeling-the-transition-rates-of-interacting-molecular-systems-in-terms-of-potential-energies-2311.09779"/></url>
<url><loc>https://scifaro.com/en/abs/finite-temperature-vibronic-spectra-from-the-split-operator-coherence-thermofield-dynamics-2311.10004</loc><lastmod>2024-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/finite-temperature-vibronic-spectra-from-the-split-operator-coherence-thermofield-dynamics-2311.10004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/finite-temperature-vibronic-spectra-from-the-split-operator-coherence-thermofield-dynamics-2311.10004"/></url>
<url><loc>https://scifaro.com/en/abs/linear-scaling-local-natural-orbital-ccsd-t-approach-for-open-shell-systems-algorithm-benchmarks-and-large-scale-applications-2311.10048</loc><lastmod>2023-11-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-scaling-local-natural-orbital-ccsd-t-approach-for-open-shell-systems-algorithm-benchmarks-and-large-scale-applications-2311.10048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-scaling-local-natural-orbital-ccsd-t-approach-for-open-shell-systems-algorithm-benchmarks-and-large-scale-applications-2311.10048"/></url>
<url><loc>https://scifaro.com/en/abs/is-there-a-finite-mobility-for-the-one-vibrational-mode-holstein-model-implications-from-real-time-simulations-2311.11006</loc><lastmod>2023-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-there-a-finite-mobility-for-the-one-vibrational-mode-holstein-model-implications-from-real-time-simulations-2311.11006"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-there-a-finite-mobility-for-the-one-vibrational-mode-holstein-model-implications-from-real-time-simulations-2311.11006"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-cross-validation-as-a-method-of-hyperparameter-search-for-mtgv-regularization-2311.11442</loc><lastmod>2023-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-cross-validation-as-a-method-of-hyperparameter-search-for-mtgv-regularization-2311.11442"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-cross-validation-as-a-method-of-hyperparameter-search-for-mtgv-regularization-2311.11442"/></url>
<url><loc>https://scifaro.com/en/abs/nano-particle-motion-in-monolithic-silica-column-using-single-particle-tracking-method-2311.11706</loc><lastmod>2023-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nano-particle-motion-in-monolithic-silica-column-using-single-particle-tracking-method-2311.11706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nano-particle-motion-in-monolithic-silica-column-using-single-particle-tracking-method-2311.11706"/></url>
<url><loc>https://scifaro.com/en/abs/a-tensor-network-view-of-multilayer-multiconfiguration-time-dependent-hartree-methods-2311.12103</loc><lastmod>2024-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-tensor-network-view-of-multilayer-multiconfiguration-time-dependent-hartree-methods-2311.12103"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-tensor-network-view-of-multilayer-multiconfiguration-time-dependent-hartree-methods-2311.12103"/></url>
<url><loc>https://scifaro.com/en/abs/comparing-self-consistent-gw-and-vertex-corrected-g0w0-g0w0-gamma-accuracy-for-molecular-ionization-potentials-2311.12209</loc><lastmod>2024-04-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparing-self-consistent-gw-and-vertex-corrected-g0w0-g0w0-gamma-accuracy-for-molecular-ionization-potentials-2311.12209"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparing-self-consistent-gw-and-vertex-corrected-g0w0-g0w0-gamma-accuracy-for-molecular-ionization-potentials-2311.12209"/></url>
<url><loc>https://scifaro.com/en/abs/hierarchical-framework-for-predicting-entropies-in-bottom-up-coarse-grained-models-2311.12353</loc><lastmod>2024-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hierarchical-framework-for-predicting-entropies-in-bottom-up-coarse-grained-models-2311.12353"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hierarchical-framework-for-predicting-entropies-in-bottom-up-coarse-grained-models-2311.12353"/></url>
<url><loc>https://scifaro.com/en/abs/monitoring-the-evolution-of-relative-product-populations-at-early-times-during-a-photochemical-reaction-2311.12482</loc><lastmod>2024-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monitoring-the-evolution-of-relative-product-populations-at-early-times-during-a-photochemical-reaction-2311.12482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monitoring-the-evolution-of-relative-product-populations-at-early-times-during-a-photochemical-reaction-2311.12482"/></url>
<url><loc>https://scifaro.com/en/abs/condensed-matter-systems-exposed-to-radiation-multiscale-theory-simulations-and-experiment-2311.13402</loc><lastmod>2024-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/condensed-matter-systems-exposed-to-radiation-multiscale-theory-simulations-and-experiment-2311.13402"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/condensed-matter-systems-exposed-to-radiation-multiscale-theory-simulations-and-experiment-2311.13402"/></url>
<url><loc>https://scifaro.com/en/abs/non-hermitian-molecular-dynamics-simulations-of-exciton-polaritons-in-lossy-cavities-2311.13453</loc><lastmod>2024-03-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-hermitian-molecular-dynamics-simulations-of-exciton-polaritons-in-lossy-cavities-2311.13453"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-hermitian-molecular-dynamics-simulations-of-exciton-polaritons-in-lossy-cavities-2311.13453"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-free-density-functional-theory-with-continuous-normalizing-flows-2311.13518</loc><lastmod>2023-11-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-free-density-functional-theory-with-continuous-normalizing-flows-2311.13518"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-free-density-functional-theory-with-continuous-normalizing-flows-2311.13518"/></url>
<url><loc>https://scifaro.com/en/abs/boosting-ensemble-refinement-with-transferable-force-field-corrections-synergistic-optimization-for-molecular-simulations-2311.13532</loc><lastmod>2024-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/boosting-ensemble-refinement-with-transferable-force-field-corrections-synergistic-optimization-for-molecular-simulations-2311.13532"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/boosting-ensemble-refinement-with-transferable-force-field-corrections-synergistic-optimization-for-molecular-simulations-2311.13532"/></url>
<url><loc>https://scifaro.com/en/abs/aufbau-suppressed-coupled-cluster-theory-for-electronically-excited-states-2311.13576</loc><lastmod>2024-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/aufbau-suppressed-coupled-cluster-theory-for-electronically-excited-states-2311.13576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/aufbau-suppressed-coupled-cluster-theory-for-electronically-excited-states-2311.13576"/></url>
<url><loc>https://scifaro.com/en/abs/floquet-engineering-of-a-diatomic-molecule-through-a-bichromatic-radiation-field-2311.13697</loc><lastmod>2024-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/floquet-engineering-of-a-diatomic-molecule-through-a-bichromatic-radiation-field-2311.13697"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/floquet-engineering-of-a-diatomic-molecule-through-a-bichromatic-radiation-field-2311.13697"/></url>
<url><loc>https://scifaro.com/en/abs/deep-learning-as-a-method-for-inversion-of-nmr-signals-2311.13722</loc><lastmod>2023-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deep-learning-as-a-method-for-inversion-of-nmr-signals-2311.13722"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deep-learning-as-a-method-for-inversion-of-nmr-signals-2311.13722"/></url>
<url><loc>https://scifaro.com/en/abs/few-femtosecond-electronic-and-structural-rearrangements-of-ch-4-driven-by-the-jahn-teller-effect-2311.14013</loc><lastmod>2023-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/few-femtosecond-electronic-and-structural-rearrangements-of-ch-4-driven-by-the-jahn-teller-effect-2311.14013"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/few-femtosecond-electronic-and-structural-rearrangements-of-ch-4-driven-by-the-jahn-teller-effect-2311.14013"/></url>
<url><loc>https://scifaro.com/en/abs/coarse-grained-configurational-polymer-fingerprints-for-property-prediction-using-machine-learning-2311.14744</loc><lastmod>2023-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coarse-grained-configurational-polymer-fingerprints-for-property-prediction-using-machine-learning-2311.14744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coarse-grained-configurational-polymer-fingerprints-for-property-prediction-using-machine-learning-2311.14744"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-interpolation-of-molecular-properties-across-chemical-compound-space-with-low-dimensional-descriptors-2311.15207</loc><lastmod>2025-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-interpolation-of-molecular-properties-across-chemical-compound-space-with-low-dimensional-descriptors-2311.15207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-interpolation-of-molecular-properties-across-chemical-compound-space-with-low-dimensional-descriptors-2311.15207"/></url>
<url><loc>https://scifaro.com/en/abs/unified-construction-of-relativistic-hamiltonians-2311.15266</loc><lastmod>2023-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unified-construction-of-relativistic-hamiltonians-2311.15266"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unified-construction-of-relativistic-hamiltonians-2311.15266"/></url>
<url><loc>https://scifaro.com/en/abs/fast-calculation-of-retarded-potentials-in-multi-domain-tddft-2311.15429</loc><lastmod>2025-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-calculation-of-retarded-potentials-in-multi-domain-tddft-2311.15429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-calculation-of-retarded-potentials-in-multi-domain-tddft-2311.15429"/></url>
<url><loc>https://scifaro.com/en/abs/the-approximate-coupled-cluster-methods-cc2-and-cc3-in-a-finite-magnetic-field-2311.15455</loc><lastmod>2024-03-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-approximate-coupled-cluster-methods-cc2-and-cc3-in-a-finite-magnetic-field-2311.15455"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-approximate-coupled-cluster-methods-cc2-and-cc3-in-a-finite-magnetic-field-2311.15455"/></url>
<url><loc>https://scifaro.com/en/abs/many-body-theory-calculations-of-positronic-bonded-molecular-dianions-2311.16318</loc><lastmod>2024-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/many-body-theory-calculations-of-positronic-bonded-molecular-dianions-2311.16318"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/many-body-theory-calculations-of-positronic-bonded-molecular-dianions-2311.16318"/></url>
<url><loc>https://scifaro.com/en/abs/pathway-selectivity-in-time-resolved-spectroscopy-using-two-photon-coincidence-counting-with-quantum-entangled-photons-2311.16408</loc><lastmod>2025-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pathway-selectivity-in-time-resolved-spectroscopy-using-two-photon-coincidence-counting-with-quantum-entangled-photons-2311.16408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pathway-selectivity-in-time-resolved-spectroscopy-using-two-photon-coincidence-counting-with-quantum-entangled-photons-2311.16408"/></url>
<url><loc>https://scifaro.com/en/abs/learning-markovian-dynamics-with-spectral-maps-2311.16411</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-markovian-dynamics-with-spectral-maps-2311.16411"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-markovian-dynamics-with-spectral-maps-2311.16411"/></url>
<url><loc>https://scifaro.com/en/abs/pi-pi-interaction-facilitated-formation-of-interwoven-trimeric-cage-catenanes-with-topological-chirality-2311.16713</loc><lastmod>2023-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pi-pi-interaction-facilitated-formation-of-interwoven-trimeric-cage-catenanes-with-topological-chirality-2311.16713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pi-pi-interaction-facilitated-formation-of-interwoven-trimeric-cage-catenanes-with-topological-chirality-2311.16713"/></url>
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<url><loc>https://scifaro.com/en/abs/linear-and-angular-momentum-conservation-in-surface-hopping-methods-2311.16976</loc><lastmod>2023-11-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-and-angular-momentum-conservation-in-surface-hopping-methods-2311.16976"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-and-angular-momentum-conservation-in-surface-hopping-methods-2311.16976"/></url>
<url><loc>https://scifaro.com/en/abs/total-angular-momentum-conservation-in-ehrenfest-dynamics-with-a-truncated-basis-of-adiabatic-states-2311.16995</loc><lastmod>2023-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/total-angular-momentum-conservation-in-ehrenfest-dynamics-with-a-truncated-basis-of-adiabatic-states-2311.16995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/total-angular-momentum-conservation-in-ehrenfest-dynamics-with-a-truncated-basis-of-adiabatic-states-2311.16995"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-accuracy-matters-applications-of-machine-learned-potential-energy-surfaces-2311.17398</loc><lastmod>2023-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-accuracy-matters-applications-of-machine-learned-potential-energy-surfaces-2311.17398"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-accuracy-matters-applications-of-machine-learned-potential-energy-surfaces-2311.17398"/></url>
<url><loc>https://scifaro.com/en/abs/using-monte-carlo-simulations-to-predict-the-distribution-of-properties-in-an-ensemble-of-fluctuating-ratchets-2311.17520</loc><lastmod>2023-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-monte-carlo-simulations-to-predict-the-distribution-of-properties-in-an-ensemble-of-fluctuating-ratchets-2311.17520"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-monte-carlo-simulations-to-predict-the-distribution-of-properties-in-an-ensemble-of-fluctuating-ratchets-2311.17520"/></url>
<url><loc>https://scifaro.com/en/abs/near-infrared-emission-bands-of-solid-nitrogen-2311.17584</loc><lastmod>2023-11-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-infrared-emission-bands-of-solid-nitrogen-2311.17584"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-infrared-emission-bands-of-solid-nitrogen-2311.17584"/></url>
<url><loc>https://scifaro.com/en/abs/benchmark-computations-of-nearly-degenerate-singlet-and-triplet-states-of-n-heterocyclic-chromophores-i-wavefunction-based-methods-2311.17602</loc><lastmod>2024-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmark-computations-of-nearly-degenerate-singlet-and-triplet-states-of-n-heterocyclic-chromophores-i-wavefunction-based-methods-2311.17602"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmark-computations-of-nearly-degenerate-singlet-and-triplet-states-of-n-heterocyclic-chromophores-i-wavefunction-based-methods-2311.17602"/></url>
<url><loc>https://scifaro.com/en/abs/opposite-effects-of-the-rotational-and-translational-energy-on-the-rates-of-ion-molecule-reactions-near-0-text-k-the-text-d-2-text-nh-3-and-text-d-2-text-nd-3-reactions-2311.17796</loc><lastmod>2024-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/opposite-effects-of-the-rotational-and-translational-energy-on-the-rates-of-ion-molecule-reactions-near-0-text-k-the-text-d-2-text-nh-3-and-text-d-2-text-nd-3-reactions-2311.17796"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/opposite-effects-of-the-rotational-and-translational-energy-on-the-rates-of-ion-molecule-reactions-near-0-text-k-the-text-d-2-text-nh-3-and-text-d-2-text-nd-3-reactions-2311.17796"/></url>
<url><loc>https://scifaro.com/en/abs/free-energy-along-drug-protein-binding-pathways-interactively-sampled-in-virtual-reality-2311.17925</loc><lastmod>2023-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/free-energy-along-drug-protein-binding-pathways-interactively-sampled-in-virtual-reality-2311.17925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/free-energy-along-drug-protein-binding-pathways-interactively-sampled-in-virtual-reality-2311.17925"/></url>
<url><loc>https://scifaro.com/en/abs/swallowing-the-bitter-pill-simplified-scalable-conformer-generation-2311.17932</loc><lastmod>2024-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/swallowing-the-bitter-pill-simplified-scalable-conformer-generation-2311.17932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/swallowing-the-bitter-pill-simplified-scalable-conformer-generation-2311.17932"/></url>
<url><loc>https://scifaro.com/en/abs/energy-gap-from-step-structure-of-the-analytically-inverted-non-additive-kinetic-potential-2311.18133</loc><lastmod>2023-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-gap-from-step-structure-of-the-analytically-inverted-non-additive-kinetic-potential-2311.18133"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-gap-from-step-structure-of-the-analytically-inverted-non-additive-kinetic-potential-2311.18133"/></url>
<url><loc>https://scifaro.com/en/abs/ab-g-0-w-0-a-practical-g-0-w-0-method-without-frequency-integration-based-on-an-auxiliary-boson-expansion-2311.18304</loc><lastmod>2023-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-g-0-w-0-a-practical-g-0-w-0-method-without-frequency-integration-based-on-an-auxiliary-boson-expansion-2311.18304"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-g-0-w-0-a-practical-g-0-w-0-method-without-frequency-integration-based-on-an-auxiliary-boson-expansion-2311.18304"/></url>
<url><loc>https://scifaro.com/en/abs/transfer-learning-across-different-chemical-domains-virtual-screening-of-organic-materials-with-deep-learning-models-pretrained-on-small-molecule-and-chemical-reaction-data-2311.18377</loc><lastmod>2024-03-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transfer-learning-across-different-chemical-domains-virtual-screening-of-organic-materials-with-deep-learning-models-pretrained-on-small-molecule-and-chemical-reaction-data-2311.18377"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transfer-learning-across-different-chemical-domains-virtual-screening-of-organic-materials-with-deep-learning-models-pretrained-on-small-molecule-and-chemical-reaction-data-2311.18377"/></url>
<url><loc>https://scifaro.com/en/abs/measurement-of-enthalpy-and-entropy-of-the-rate-determining-step-of-a-model-electrocatalyst-for-the-oxygen-evolution-reaction-2311.18396</loc><lastmod>2023-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurement-of-enthalpy-and-entropy-of-the-rate-determining-step-of-a-model-electrocatalyst-for-the-oxygen-evolution-reaction-2311.18396"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurement-of-enthalpy-and-entropy-of-the-rate-determining-step-of-a-model-electrocatalyst-for-the-oxygen-evolution-reaction-2311.18396"/></url>
<url><loc>https://scifaro.com/en/abs/artificial-bees-collect-diverse-conformers-of-small-organic-molecules-2311.18600</loc><lastmod>2023-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/artificial-bees-collect-diverse-conformers-of-small-organic-molecules-2311.18600"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/artificial-bees-collect-diverse-conformers-of-small-organic-molecules-2311.18600"/></url>
<url><loc>https://scifaro.com/en/abs/transfer-learning-for-predicting-source-terms-of-principal-component-transport-in-chemically-reactive-flow-2312.00356</loc><lastmod>2024-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transfer-learning-for-predicting-source-terms-of-principal-component-transport-in-chemically-reactive-flow-2312.00356"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transfer-learning-for-predicting-source-terms-of-principal-component-transport-in-chemically-reactive-flow-2312.00356"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-conical-intersection-dynamics-in-the-local-diabatic-representation-with-strang-splitting-and-fourier-basis-2312.00496</loc><lastmod>2024-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-conical-intersection-dynamics-in-the-local-diabatic-representation-with-strang-splitting-and-fourier-basis-2312.00496"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-conical-intersection-dynamics-in-the-local-diabatic-representation-with-strang-splitting-and-fourier-basis-2312.00496"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-performance-of-hrpa-d-for-nmr-spin-spin-coupling-constants-smaller-molecules-aromatic-and-fluoroaromatic-compounds-2312.00705</loc><lastmod>2024-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-performance-of-hrpa-d-for-nmr-spin-spin-coupling-constants-smaller-molecules-aromatic-and-fluoroaromatic-compounds-2312.00705"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-performance-of-hrpa-d-for-nmr-spin-spin-coupling-constants-smaller-molecules-aromatic-and-fluoroaromatic-compounds-2312.00705"/></url>
<url><loc>https://scifaro.com/en/abs/textit-ab-initio-calculations-of-the-high-order-harmonic-enhancement-in-small-noble-gas-clusters-2312.00883</loc><lastmod>2023-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/textit-ab-initio-calculations-of-the-high-order-harmonic-enhancement-in-small-noble-gas-clusters-2312.00883"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/textit-ab-initio-calculations-of-the-high-order-harmonic-enhancement-in-small-noble-gas-clusters-2312.00883"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-of-high-harmonic-generation-in-the-c-textsubscript-60-fullerene-using-textit-ab-initio-dft-based-and-semiempirical-methods-2312.00888</loc><lastmod>2023-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-of-high-harmonic-generation-in-the-c-textsubscript-60-fullerene-using-textit-ab-initio-dft-based-and-semiempirical-methods-2312.00888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-of-high-harmonic-generation-in-the-c-textsubscript-60-fullerene-using-textit-ab-initio-dft-based-and-semiempirical-methods-2312.00888"/></url>
<url><loc>https://scifaro.com/en/abs/converging-divergent-paths-constant-charge-vs-constant-potential-energetics-in-computational-electrochemistry-2312.00911</loc><lastmod>2023-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/converging-divergent-paths-constant-charge-vs-constant-potential-energetics-in-computational-electrochemistry-2312.00911"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/converging-divergent-paths-constant-charge-vs-constant-potential-energetics-in-computational-electrochemistry-2312.00911"/></url>
<url><loc>https://scifaro.com/en/abs/reducing-the-time-step-errors-in-diffusion-monte-carlo-2312.01526</loc><lastmod>2024-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reducing-the-time-step-errors-in-diffusion-monte-carlo-2312.01526"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reducing-the-time-step-errors-in-diffusion-monte-carlo-2312.01526"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-persistent-orientation-of-asymmetric-top-molecules-induced-by-cross-polarized-terahertz-pulses-2312.01579</loc><lastmod>2023-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-persistent-orientation-of-asymmetric-top-molecules-induced-by-cross-polarized-terahertz-pulses-2312.01579"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-persistent-orientation-of-asymmetric-top-molecules-induced-by-cross-polarized-terahertz-pulses-2312.01579"/></url>
<url><loc>https://scifaro.com/en/abs/statistic-electromotive-force-of-solid-state-conductor-p-polar-liquid-l-solid-state-conductor-n-capacitor-2312.01596</loc><lastmod>2023-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistic-electromotive-force-of-solid-state-conductor-p-polar-liquid-l-solid-state-conductor-n-capacitor-2312.01596"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistic-electromotive-force-of-solid-state-conductor-p-polar-liquid-l-solid-state-conductor-n-capacitor-2312.01596"/></url>
<url><loc>https://scifaro.com/en/abs/sparse-full-configuration-interaction-2312.01846</loc><lastmod>2024-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sparse-full-configuration-interaction-2312.01846"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sparse-full-configuration-interaction-2312.01846"/></url>
<url><loc>https://scifaro.com/en/abs/mixed-quantum-classical-theory-mqct-approach-to-the-dynamics-of-molecule-molecule-collisions-in-complex-systems-2312.02322</loc><lastmod>2024-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixed-quantum-classical-theory-mqct-approach-to-the-dynamics-of-molecule-molecule-collisions-in-complex-systems-2312.02322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixed-quantum-classical-theory-mqct-approach-to-the-dynamics-of-molecule-molecule-collisions-in-complex-systems-2312.02322"/></url>
<url><loc>https://scifaro.com/en/abs/conductivity-of-concentrated-salt-solutions-2312.02624</loc><lastmod>2025-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conductivity-of-concentrated-salt-solutions-2312.02624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conductivity-of-concentrated-salt-solutions-2312.02624"/></url>
<url><loc>https://scifaro.com/en/abs/positron-annihilation-and-binding-in-aromatic-and-other-ring-molecules-2312.02779</loc><lastmod>2024-06-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/positron-annihilation-and-binding-in-aromatic-and-other-ring-molecules-2312.02779"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/positron-annihilation-and-binding-in-aromatic-and-other-ring-molecules-2312.02779"/></url>
<url><loc>https://scifaro.com/en/abs/a-novel-coupled-cluster-singles-and-doubles-implementation-that-combines-the-exploitation-of-point-group-symmetry-and-cholesky-decomposition-of-the-two-electron-integrals-2312.03375</loc><lastmod>2023-12-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-novel-coupled-cluster-singles-and-doubles-implementation-that-combines-the-exploitation-of-point-group-symmetry-and-cholesky-decomposition-of-the-two-electron-integrals-2312.03375"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-novel-coupled-cluster-singles-and-doubles-implementation-that-combines-the-exploitation-of-point-group-symmetry-and-cholesky-decomposition-of-the-two-electron-integrals-2312.03375"/></url>
<url><loc>https://scifaro.com/en/abs/extracting-vibrational-anharmonicities-from-short-driven-molecular-dynamics-trajectories-2312.03449</loc><lastmod>2023-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extracting-vibrational-anharmonicities-from-short-driven-molecular-dynamics-trajectories-2312.03449"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extracting-vibrational-anharmonicities-from-short-driven-molecular-dynamics-trajectories-2312.03449"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-the-dynamics-of-quantum-systems-coupled-to-large-dimensional-baths-using-effective-energy-states-2312.03460</loc><lastmod>2024-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-the-dynamics-of-quantum-systems-coupled-to-large-dimensional-baths-using-effective-energy-states-2312.03460"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-the-dynamics-of-quantum-systems-coupled-to-large-dimensional-baths-using-effective-energy-states-2312.03460"/></url>
<url><loc>https://scifaro.com/en/abs/exciton-dynamics-from-the-mapping-approach-to-surface-hopping-comparison-with-f-orster-and-redfield-theories-2312.03783</loc><lastmod>2024-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exciton-dynamics-from-the-mapping-approach-to-surface-hopping-comparison-with-f-orster-and-redfield-theories-2312.03783"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exciton-dynamics-from-the-mapping-approach-to-surface-hopping-comparison-with-f-orster-and-redfield-theories-2312.03783"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-co-2-capture-in-pressure-swing-adsorption-units-a-deep-neural-network-approach-with-optimality-evaluation-and-operating-maps-for-decision-making-2312.03873</loc><lastmod>2023-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-co-2-capture-in-pressure-swing-adsorption-units-a-deep-neural-network-approach-with-optimality-evaluation-and-operating-maps-for-decision-making-2312.03873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-co-2-capture-in-pressure-swing-adsorption-units-a-deep-neural-network-approach-with-optimality-evaluation-and-operating-maps-for-decision-making-2312.03873"/></url>
<url><loc>https://scifaro.com/en/abs/a-self-improvable-polymer-discovery-framework-based-on-conditional-generative-model-2312.04013</loc><lastmod>2025-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-self-improvable-polymer-discovery-framework-based-on-conditional-generative-model-2312.04013"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-self-improvable-polymer-discovery-framework-based-on-conditional-generative-model-2312.04013"/></url>
<url><loc>https://scifaro.com/en/abs/nano-arpes-investigation-of-twisted-bilayer-tungsten-disulfide-2312.04205</loc><lastmod>2023-12-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nano-arpes-investigation-of-twisted-bilayer-tungsten-disulfide-2312.04205"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nano-arpes-investigation-of-twisted-bilayer-tungsten-disulfide-2312.04205"/></url>
<url><loc>https://scifaro.com/en/abs/coherent-state-switching-using-vibrational-polaritons-in-an-asymmetric-double-well-potential-2312.04298</loc><lastmod>2024-01-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coherent-state-switching-using-vibrational-polaritons-in-an-asymmetric-double-well-potential-2312.04298"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coherent-state-switching-using-vibrational-polaritons-in-an-asymmetric-double-well-potential-2312.04298"/></url>
<url><loc>https://scifaro.com/en/abs/the-alchemical-integral-transform-revisited-2312.04458</loc><lastmod>2024-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-alchemical-integral-transform-revisited-2312.04458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-alchemical-integral-transform-revisited-2312.04458"/></url>
<url><loc>https://scifaro.com/en/abs/dual-comb-spectroscopy-of-ammonia-formation-in-non-thermal-plasmas-2312.05075</loc><lastmod>2024-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dual-comb-spectroscopy-of-ammonia-formation-in-non-thermal-plasmas-2312.05075"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dual-comb-spectroscopy-of-ammonia-formation-in-non-thermal-plasmas-2312.05075"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-the-electron-pair-approximation-with-measurements-on-trapped-ion-quantum-computers-2312.05426</loc><lastmod>2023-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-the-electron-pair-approximation-with-measurements-on-trapped-ion-quantum-computers-2312.05426"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-the-electron-pair-approximation-with-measurements-on-trapped-ion-quantum-computers-2312.05426"/></url>
<url><loc>https://scifaro.com/en/abs/avoiding-matrix-exponentials-for-large-transition-rate-matrices-2312.05647</loc><lastmod>2024-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/avoiding-matrix-exponentials-for-large-transition-rate-matrices-2312.05647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/avoiding-matrix-exponentials-for-large-transition-rate-matrices-2312.05647"/></url>
<url><loc>https://scifaro.com/en/abs/optimized-multifidelity-machine-learning-for-quantum-chemistry-2312.05661</loc><lastmod>2024-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimized-multifidelity-machine-learning-for-quantum-chemistry-2312.05661"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimized-multifidelity-machine-learning-for-quantum-chemistry-2312.05661"/></url>
<url><loc>https://scifaro.com/en/abs/heat-transfer-in-gold-interfaces-capped-with-thiolated-polyethylene-glycol-a-molecular-dynamics-study-2312.05689</loc><lastmod>2023-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/heat-transfer-in-gold-interfaces-capped-with-thiolated-polyethylene-glycol-a-molecular-dynamics-study-2312.05689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/heat-transfer-in-gold-interfaces-capped-with-thiolated-polyethylene-glycol-a-molecular-dynamics-study-2312.05689"/></url>
<url><loc>https://scifaro.com/en/abs/de-novo-design-of-polymer-electrolytes-with-high-conductivity-using-gpt-based-and-diffusion-based-generative-models-2312.06470</loc><lastmod>2025-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/de-novo-design-of-polymer-electrolytes-with-high-conductivity-using-gpt-based-and-diffusion-based-generative-models-2312.06470"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/de-novo-design-of-polymer-electrolytes-with-high-conductivity-using-gpt-based-and-diffusion-based-generative-models-2312.06470"/></url>
<url><loc>https://scifaro.com/en/abs/tuning-interfacial-water-friction-through-moir-e-twist-2312.06830</loc><lastmod>2023-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tuning-interfacial-water-friction-through-moir-e-twist-2312.06830"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tuning-interfacial-water-friction-through-moir-e-twist-2312.06830"/></url>
<url><loc>https://scifaro.com/en/abs/frozen-natural-orbitals-for-the-state-averaged-driven-similarity-renormalization-group-2312.07008</loc><lastmod>2023-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frozen-natural-orbitals-for-the-state-averaged-driven-similarity-renormalization-group-2312.07008"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frozen-natural-orbitals-for-the-state-averaged-driven-similarity-renormalization-group-2312.07008"/></url>
<url><loc>https://scifaro.com/en/abs/triplet-excitation-energy-transfer-couplings-from-subsystem-time-dependent-density-functional-theory-2312.07123</loc><lastmod>2023-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/triplet-excitation-energy-transfer-couplings-from-subsystem-time-dependent-density-functional-theory-2312.07123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/triplet-excitation-energy-transfer-couplings-from-subsystem-time-dependent-density-functional-theory-2312.07123"/></url>
<url><loc>https://scifaro.com/en/abs/advances-in-approximate-natural-orbital-functionals-from-historical-perspectives-to-contemporary-developments-2312.07163</loc><lastmod>2023-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/advances-in-approximate-natural-orbital-functionals-from-historical-perspectives-to-contemporary-developments-2312.07163"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/advances-in-approximate-natural-orbital-functionals-from-historical-perspectives-to-contemporary-developments-2312.07163"/></url>
<url><loc>https://scifaro.com/en/abs/relaxation-enhancement-by-microwave-irradiation-may-limit-dynamic-nuclear-polarization-2312.07244</loc><lastmod>2023-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relaxation-enhancement-by-microwave-irradiation-may-limit-dynamic-nuclear-polarization-2312.07244"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relaxation-enhancement-by-microwave-irradiation-may-limit-dynamic-nuclear-polarization-2312.07244"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-mechanical-treatment-of-stimulated-raman-cross-sections-2312.07473</loc><lastmod>2023-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-mechanical-treatment-of-stimulated-raman-cross-sections-2312.07473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-mechanical-treatment-of-stimulated-raman-cross-sections-2312.07473"/></url>
<url><loc>https://scifaro.com/en/abs/3dreact-geometric-deep-learning-for-chemical-reactions-2312.08307</loc><lastmod>2024-08-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/3dreact-geometric-deep-learning-for-chemical-reactions-2312.08307"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/3dreact-geometric-deep-learning-for-chemical-reactions-2312.08307"/></url>
<url><loc>https://scifaro.com/en/abs/physics-guided-continual-learning-for-predicting-emerging-aqueous-organic-redox-flow-battery-material-performance-2312.08481</loc><lastmod>2024-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physics-guided-continual-learning-for-predicting-emerging-aqueous-organic-redox-flow-battery-material-performance-2312.08481"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physics-guided-continual-learning-for-predicting-emerging-aqueous-organic-redox-flow-battery-material-performance-2312.08481"/></url>
<url><loc>https://scifaro.com/en/abs/possible-bi-stable-structures-of-pyrene-butanoic-acid-linked-protein-molecules-adsorbed-on-graphene-theoretical-study-2312.08780</loc><lastmod>2023-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/possible-bi-stable-structures-of-pyrene-butanoic-acid-linked-protein-molecules-adsorbed-on-graphene-theoretical-study-2312.08780"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/possible-bi-stable-structures-of-pyrene-butanoic-acid-linked-protein-molecules-adsorbed-on-graphene-theoretical-study-2312.08780"/></url>
<url><loc>https://scifaro.com/en/abs/richardson-gaudin-states-2312.08804</loc><lastmod>2023-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/richardson-gaudin-states-2312.08804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/richardson-gaudin-states-2312.08804"/></url>
<url><loc>https://scifaro.com/en/abs/holistic-chemical-evaluation-reveals-pitfalls-in-reaction-prediction-models-2312.09004</loc><lastmod>2023-12-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/holistic-chemical-evaluation-reveals-pitfalls-in-reaction-prediction-models-2312.09004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/holistic-chemical-evaluation-reveals-pitfalls-in-reaction-prediction-models-2312.09004"/></url>
<url><loc>https://scifaro.com/en/abs/exroppp-fast-accurate-and-spin-pure-calculation-of-the-electronically-excited-states-of-organic-hydrocarbon-radicals-2312.09013</loc><lastmod>2024-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exroppp-fast-accurate-and-spin-pure-calculation-of-the-electronically-excited-states-of-organic-hydrocarbon-radicals-2312.09013"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exroppp-fast-accurate-and-spin-pure-calculation-of-the-electronically-excited-states-of-organic-hydrocarbon-radicals-2312.09013"/></url>
<url><loc>https://scifaro.com/en/abs/w4-lambda-leveraging-lambda-coupled-cluster-for-accurate-computational-thermochemistry-approaches-2312.09062</loc><lastmod>2024-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/w4-lambda-leveraging-lambda-coupled-cluster-for-accurate-computational-thermochemistry-approaches-2312.09062"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/w4-lambda-leveraging-lambda-coupled-cluster-for-accurate-computational-thermochemistry-approaches-2312.09062"/></url>
<url><loc>https://scifaro.com/en/abs/exploiting-a-derivative-discontinuity-estimate-for-accurate-g-0w-0-ionization-potentials-and-electron-affinities-2312.09474</loc><lastmod>2023-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploiting-a-derivative-discontinuity-estimate-for-accurate-g-0w-0-ionization-potentials-and-electron-affinities-2312.09474"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploiting-a-derivative-discontinuity-estimate-for-accurate-g-0w-0-ionization-potentials-and-electron-affinities-2312.09474"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-atom-scattering-at-the-al-2-o-3-0001-surface-a-combined-experimental-and-theoretical-study-2312.09647</loc><lastmod>2023-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-atom-scattering-at-the-al-2-o-3-0001-surface-a-combined-experimental-and-theoretical-study-2312.09647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-atom-scattering-at-the-al-2-o-3-0001-surface-a-combined-experimental-and-theoretical-study-2312.09647"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-and-gate-efficient-quantum-ans-atze-for-electronic-states-without-adaptive-optimisation-2312.09761</loc><lastmod>2024-04-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-and-gate-efficient-quantum-ans-atze-for-electronic-states-without-adaptive-optimisation-2312.09761"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-and-gate-efficient-quantum-ans-atze-for-electronic-states-without-adaptive-optimisation-2312.09761"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-the-presence-of-pinned-particles-on-the-structural-parameters-of-a-liquid-and-correlation-between-structure-and-dynamics-at-the-local-level-2312.10353</loc><lastmod>2024-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-the-presence-of-pinned-particles-on-the-structural-parameters-of-a-liquid-and-correlation-between-structure-and-dynamics-at-the-local-level-2312.10353"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-the-presence-of-pinned-particles-on-the-structural-parameters-of-a-liquid-and-correlation-between-structure-and-dynamics-at-the-local-level-2312.10353"/></url>
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<url><loc>https://scifaro.com/en/abs/thermal-isomerization-rates-in-retinal-analogues-using-ab-initio-molecular-dynamics-2312.10520</loc><lastmod>2023-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-isomerization-rates-in-retinal-analogues-using-ab-initio-molecular-dynamics-2312.10520"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-isomerization-rates-in-retinal-analogues-using-ab-initio-molecular-dynamics-2312.10520"/></url>
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<url><loc>https://scifaro.com/en/abs/poisson-boltzmann-based-machine-learning-pbml-model-for-electrostatic-analysis-2312.11482</loc><lastmod>2023-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/poisson-boltzmann-based-machine-learning-pbml-model-for-electrostatic-analysis-2312.11482"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/poisson-boltzmann-based-machine-learning-pbml-model-for-electrostatic-analysis-2312.11482"/></url>
<url><loc>https://scifaro.com/en/abs/flash-melting-amorphous-ice-2312.11579</loc><lastmod>2023-12-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/flash-melting-amorphous-ice-2312.11579"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/flash-melting-amorphous-ice-2312.11579"/></url>
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<url><loc>https://scifaro.com/en/abs/qed-corrections-to-the-correlated-relativistic-energy-one-photon-processes-2312.13887</loc><lastmod>2024-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qed-corrections-to-the-correlated-relativistic-energy-one-photon-processes-2312.13887"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qed-corrections-to-the-correlated-relativistic-energy-one-photon-processes-2312.13887"/></url>
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<url><loc>https://scifaro.com/en/abs/formation-pathways-of-the-spin-correlated-spatially-separated-1-t-t-state-in-the-singlet-fission-process-of-perylene-diimide-stacks-2312.13966</loc><lastmod>2023-12-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/formation-pathways-of-the-spin-correlated-spatially-separated-1-t-t-state-in-the-singlet-fission-process-of-perylene-diimide-stacks-2312.13966"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/formation-pathways-of-the-spin-correlated-spatially-separated-1-t-t-state-in-the-singlet-fission-process-of-perylene-diimide-stacks-2312.13966"/></url>
<url><loc>https://scifaro.com/en/abs/methane-dimer-rovibrational-states-and-raman-transition-moments-2312.14099</loc><lastmod>2024-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/methane-dimer-rovibrational-states-and-raman-transition-moments-2312.14099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/methane-dimer-rovibrational-states-and-raman-transition-moments-2312.14099"/></url>
<url><loc>https://scifaro.com/en/abs/digitalization-of-free-radical-polymerization-2312.14163</loc><lastmod>2023-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/digitalization-of-free-radical-polymerization-2312.14163"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/digitalization-of-free-radical-polymerization-2312.14163"/></url>
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<url><loc>https://scifaro.com/en/abs/the-ground-state-potential-and-dipole-moment-of-carbon-monoxide-contributions-from-electronic-correlation-relativistic-effects-qed-adiabatic-and-non-adiabatic-corrections-2312.14168</loc><lastmod>2023-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-ground-state-potential-and-dipole-moment-of-carbon-monoxide-contributions-from-electronic-correlation-relativistic-effects-qed-adiabatic-and-non-adiabatic-corrections-2312.14168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-ground-state-potential-and-dipole-moment-of-carbon-monoxide-contributions-from-electronic-correlation-relativistic-effects-qed-adiabatic-and-non-adiabatic-corrections-2312.14168"/></url>
<url><loc>https://scifaro.com/en/abs/time-dependent-density-functional-theory-with-the-orthogonal-projector-augmented-wave-method-2312.14179</loc><lastmod>2023-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-density-functional-theory-with-the-orthogonal-projector-augmented-wave-method-2312.14179"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-density-functional-theory-with-the-orthogonal-projector-augmented-wave-method-2312.14179"/></url>
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<url><loc>https://scifaro.com/en/abs/x-ray-circular-dichroism-measured-by-cross-polarization-x-ray-transient-grating-2312.15077</loc><lastmod>2023-12-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/x-ray-circular-dichroism-measured-by-cross-polarization-x-ray-transient-grating-2312.15077"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/x-ray-circular-dichroism-measured-by-cross-polarization-x-ray-transient-grating-2312.15077"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-beyond-the-born-oppenheimer-approximation-exact-mapping-onto-an-electronically-non-interacting-kohn-sham-molecule-2312.15080</loc><lastmod>2024-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-beyond-the-born-oppenheimer-approximation-exact-mapping-onto-an-electronically-non-interacting-kohn-sham-molecule-2312.15080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-beyond-the-born-oppenheimer-approximation-exact-mapping-onto-an-electronically-non-interacting-kohn-sham-molecule-2312.15080"/></url>
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<url><loc>https://scifaro.com/en/abs/uncertainty-aware-first-principles-exploration-of-chemical-reaction-networks-2312.15477</loc><lastmod>2024-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncertainty-aware-first-principles-exploration-of-chemical-reaction-networks-2312.15477"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncertainty-aware-first-principles-exploration-of-chemical-reaction-networks-2312.15477"/></url>
<url><loc>https://scifaro.com/en/abs/dpa-2-a-large-atomic-model-as-a-multi-task-learner-2312.15492</loc><lastmod>2025-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dpa-2-a-large-atomic-model-as-a-multi-task-learner-2312.15492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dpa-2-a-large-atomic-model-as-a-multi-task-learner-2312.15492"/></url>
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<url><loc>https://scifaro.com/en/abs/thz-to-far-infrared-spectra-of-the-known-crystal-polymorphs-of-phenylalanine-2401.08493</loc><lastmod>2024-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thz-to-far-infrared-spectra-of-the-known-crystal-polymorphs-of-phenylalanine-2401.08493"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thz-to-far-infrared-spectra-of-the-known-crystal-polymorphs-of-phenylalanine-2401.08493"/></url>
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<url><loc>https://scifaro.com/en/abs/structural-reinforcement-in-mechanically-interlocked-two-dimensional-polymers-by-suppressing-interlayer-sliding-2401.09099</loc><lastmod>2024-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/structural-reinforcement-in-mechanically-interlocked-two-dimensional-polymers-by-suppressing-interlayer-sliding-2401.09099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/structural-reinforcement-in-mechanically-interlocked-two-dimensional-polymers-by-suppressing-interlayer-sliding-2401.09099"/></url>
<url><loc>https://scifaro.com/en/abs/improving-physico-chemical-properties-and-antifouling-of-nanofiltration-membranes-using-coating-dlc-nanostructures-2401.09142</loc><lastmod>2024-01-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improving-physico-chemical-properties-and-antifouling-of-nanofiltration-membranes-using-coating-dlc-nanostructures-2401.09142"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improving-physico-chemical-properties-and-antifouling-of-nanofiltration-membranes-using-coating-dlc-nanostructures-2401.09142"/></url>
<url><loc>https://scifaro.com/en/abs/challenges-in-measuring-transport-parameters-of-carbonate-based-electrolytes-2401.09173</loc><lastmod>2024-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/challenges-in-measuring-transport-parameters-of-carbonate-based-electrolytes-2401.09173"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/challenges-in-measuring-transport-parameters-of-carbonate-based-electrolytes-2401.09173"/></url>
<url><loc>https://scifaro.com/en/abs/from-local-atomic-environments-to-molecular-information-entropy-2401.09282</loc><lastmod>2026-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-local-atomic-environments-to-molecular-information-entropy-2401.09282"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-local-atomic-environments-to-molecular-information-entropy-2401.09282"/></url>
<url><loc>https://scifaro.com/en/abs/no-headache-for-pips-a-pip-potential-for-aspirin-outperforms-other-machine-learned-potentials-2401.09316</loc><lastmod>2024-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/no-headache-for-pips-a-pip-potential-for-aspirin-outperforms-other-machine-learned-potentials-2401.09316"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/no-headache-for-pips-a-pip-potential-for-aspirin-outperforms-other-machine-learned-potentials-2401.09316"/></url>
<url><loc>https://scifaro.com/en/abs/fault-tolerant-quantum-chemical-calculations-with-improved-machine-learning-models-2401.09484</loc><lastmod>2024-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fault-tolerant-quantum-chemical-calculations-with-improved-machine-learning-models-2401.09484"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fault-tolerant-quantum-chemical-calculations-with-improved-machine-learning-models-2401.09484"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-mechanisms-behind-non-aromatic-fluorescence-with-density-functional-tight-binding-method-2401.09990</loc><lastmod>2024-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-mechanisms-behind-non-aromatic-fluorescence-with-density-functional-tight-binding-method-2401.09990"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-mechanisms-behind-non-aromatic-fluorescence-with-density-functional-tight-binding-method-2401.09990"/></url>
<url><loc>https://scifaro.com/en/abs/bromine-and-iodine-in-atmospheric-mercury-oxidation-2401.10053</loc><lastmod>2025-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bromine-and-iodine-in-atmospheric-mercury-oxidation-2401.10053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bromine-and-iodine-in-atmospheric-mercury-oxidation-2401.10053"/></url>
<url><loc>https://scifaro.com/en/abs/stability-of-c-59-knockout-fragments-from-femtoseconds-to-infinity-2401.10063</loc><lastmod>2024-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stability-of-c-59-knockout-fragments-from-femtoseconds-to-infinity-2401.10063"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stability-of-c-59-knockout-fragments-from-femtoseconds-to-infinity-2401.10063"/></url>
<url><loc>https://scifaro.com/en/abs/precision-franck-condon-spectroscopy-from-highly-excited-vibrational-states-2401.10384</loc><lastmod>2024-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/precision-franck-condon-spectroscopy-from-highly-excited-vibrational-states-2401.10384"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/precision-franck-condon-spectroscopy-from-highly-excited-vibrational-states-2401.10384"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-excitation-energies-of-point-defects-from-fast-particle-particle-random-approximation-calculations-2401.10483</loc><lastmod>2024-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-excitation-energies-of-point-defects-from-fast-particle-particle-random-approximation-calculations-2401.10483"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-excitation-energies-of-point-defects-from-fast-particle-particle-random-approximation-calculations-2401.10483"/></url>
<url><loc>https://scifaro.com/en/abs/non-toxic-fabrication-of-fluorescent-carbon-nanoparticles-from-medicinal-plants-sources-with-their-antioxidant-assay-2401.10673</loc><lastmod>2024-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-toxic-fabrication-of-fluorescent-carbon-nanoparticles-from-medicinal-plants-sources-with-their-antioxidant-assay-2401.10673"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-toxic-fabrication-of-fluorescent-carbon-nanoparticles-from-medicinal-plants-sources-with-their-antioxidant-assay-2401.10673"/></url>
<url><loc>https://scifaro.com/en/abs/signatures-of-s-wave-scattering-in-bound-electronic-states-2401.10714</loc><lastmod>2024-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/signatures-of-s-wave-scattering-in-bound-electronic-states-2401.10714"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/signatures-of-s-wave-scattering-in-bound-electronic-states-2401.10714"/></url>
<url><loc>https://scifaro.com/en/abs/collective-rovibronic-dynamics-of-a-diatomic-gas-coupled-by-cavity-2401.10723</loc><lastmod>2024-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collective-rovibronic-dynamics-of-a-diatomic-gas-coupled-by-cavity-2401.10723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collective-rovibronic-dynamics-of-a-diatomic-gas-coupled-by-cavity-2401.10723"/></url>
<url><loc>https://scifaro.com/en/abs/multireference-perturbation-theories-based-on-the-dyall-hamiltonian-2401.11262</loc><lastmod>2024-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multireference-perturbation-theories-based-on-the-dyall-hamiltonian-2401.11262"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multireference-perturbation-theories-based-on-the-dyall-hamiltonian-2401.11262"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-fully-self-consistent-gw-for-molecules-total-energies-and-ionization-potentials-2401.11303</loc><lastmod>2024-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-fully-self-consistent-gw-for-molecules-total-energies-and-ionization-potentials-2401.11303"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-fully-self-consistent-gw-for-molecules-total-energies-and-ionization-potentials-2401.11303"/></url>
<url><loc>https://scifaro.com/en/abs/analysis-of-concentration-polarization-in-reverse-osmosis-and-nanofiltration-zero-one-and-two-dimensional-models-2401.11527</loc><lastmod>2024-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-concentration-polarization-in-reverse-osmosis-and-nanofiltration-zero-one-and-two-dimensional-models-2401.11527"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-concentration-polarization-in-reverse-osmosis-and-nanofiltration-zero-one-and-two-dimensional-models-2401.11527"/></url>
<url><loc>https://scifaro.com/en/abs/the-madrid-2019-force-field-for-electrolytes-in-water-using-tip4p-2005-and-scaled-charges-extension-to-the-ions-f-br-i-rb-cs-2401.11802</loc><lastmod>2024-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-madrid-2019-force-field-for-electrolytes-in-water-using-tip4p-2005-and-scaled-charges-extension-to-the-ions-f-br-i-rb-cs-2401.11802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-madrid-2019-force-field-for-electrolytes-in-water-using-tip4p-2005-and-scaled-charges-extension-to-the-ions-f-br-i-rb-cs-2401.11802"/></url>
<url><loc>https://scifaro.com/en/abs/melting-points-of-water-models-current-situation-2401.11812</loc><lastmod>2024-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/melting-points-of-water-models-current-situation-2401.11812"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/melting-points-of-water-models-current-situation-2401.11812"/></url>
<url><loc>https://scifaro.com/en/abs/collisional-alignment-and-molecular-rotation-control-chemi-ionization-of-individual-conformers-2401.11916</loc><lastmod>2024-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collisional-alignment-and-molecular-rotation-control-chemi-ionization-of-individual-conformers-2401.11916"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collisional-alignment-and-molecular-rotation-control-chemi-ionization-of-individual-conformers-2401.11916"/></url>
<url><loc>https://scifaro.com/en/abs/gaussians-for-electronic-and-rovibrational-quantum-dynamics-2401.11926</loc><lastmod>2024-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gaussians-for-electronic-and-rovibrational-quantum-dynamics-2401.11926"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gaussians-for-electronic-and-rovibrational-quantum-dynamics-2401.11926"/></url>
<url><loc>https://scifaro.com/en/abs/two-determinant-distinguishable-cluster-2401.11935</loc><lastmod>2024-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-determinant-distinguishable-cluster-2401.11935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-determinant-distinguishable-cluster-2401.11935"/></url>
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<url><loc>https://scifaro.com/en/abs/quantum-inspired-machine-learning-for-molecular-docking-2401.12999</loc><lastmod>2024-02-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-inspired-machine-learning-for-molecular-docking-2401.12999"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-inspired-machine-learning-for-molecular-docking-2401.12999"/></url>
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<url><loc>https://scifaro.com/en/abs/light-induced-photodissociation-on-the-lowest-three-electronic-states-of-nah-molecule-2401.14080</loc><lastmod>2024-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/light-induced-photodissociation-on-the-lowest-three-electronic-states-of-nah-molecule-2401.14080"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/light-induced-photodissociation-on-the-lowest-three-electronic-states-of-nah-molecule-2401.14080"/></url>
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<url><loc>https://scifaro.com/en/abs/solvation-effects-on-halides-core-spectra-with-multilevel-real-time-quantum-embedding-2401.14548</loc><lastmod>2024-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solvation-effects-on-halides-core-spectra-with-multilevel-real-time-quantum-embedding-2401.14548"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solvation-effects-on-halides-core-spectra-with-multilevel-real-time-quantum-embedding-2401.14548"/></url>
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<url><loc>https://scifaro.com/en/abs/zero-shot-molecular-generation-via-similarity-kernels-2402.08708</loc><lastmod>2025-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zero-shot-molecular-generation-via-similarity-kernels-2402.08708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zero-shot-molecular-generation-via-similarity-kernels-2402.08708"/></url>
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<url><loc>https://scifaro.com/en/abs/spin-coupled-molecular-orbitals-chemical-intuition-meets-quantum-chemistry-2402.08858</loc><lastmod>2024-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-coupled-molecular-orbitals-chemical-intuition-meets-quantum-chemistry-2402.08858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-coupled-molecular-orbitals-chemical-intuition-meets-quantum-chemistry-2402.08858"/></url>
<url><loc>https://scifaro.com/en/abs/the-photodissociation-dynamics-and-ultrafast-electron-diffraction-image-of-cyclobutanone-from-the-surface-hopping-dynamics-simulation-2402.08900</loc><lastmod>2024-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-photodissociation-dynamics-and-ultrafast-electron-diffraction-image-of-cyclobutanone-from-the-surface-hopping-dynamics-simulation-2402.08900"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-photodissociation-dynamics-and-ultrafast-electron-diffraction-image-of-cyclobutanone-from-the-surface-hopping-dynamics-simulation-2402.08900"/></url>
<url><loc>https://scifaro.com/en/abs/the-photochemistry-of-rydberg-excited-cyclobutanone-photoinduced-processes-and-ground-state-dynamics-2402.09140</loc><lastmod>2024-02-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-photochemistry-of-rydberg-excited-cyclobutanone-photoinduced-processes-and-ground-state-dynamics-2402.09140"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-photochemistry-of-rydberg-excited-cyclobutanone-photoinduced-processes-and-ground-state-dynamics-2402.09140"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-photochemistry-and-electron-diffraction-spectra-in-n-3s-rydberg-excited-cyclobutanone-resolved-at-the-multireference-perturbative-level-2402.09873</loc><lastmod>2024-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-photochemistry-and-electron-diffraction-spectra-in-n-3s-rydberg-excited-cyclobutanone-resolved-at-the-multireference-perturbative-level-2402.09873"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-photochemistry-and-electron-diffraction-spectra-in-n-3s-rydberg-excited-cyclobutanone-resolved-at-the-multireference-perturbative-level-2402.09873"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-challenge-simulating-rydberg-photoexcited-cyclobutanone-with-surface-hopping-dynamics-based-on-different-electronic-structure-methods-2402.09890</loc><lastmod>2024-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-challenge-simulating-rydberg-photoexcited-cyclobutanone-with-surface-hopping-dynamics-based-on-different-electronic-structure-methods-2402.09890"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-challenge-simulating-rydberg-photoexcited-cyclobutanone-with-surface-hopping-dynamics-based-on-different-electronic-structure-methods-2402.09890"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-through-quantum-dynamics-simulations-photo-excited-cyclobutanone-2402.09933</loc><lastmod>2024-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-through-quantum-dynamics-simulations-photo-excited-cyclobutanone-2402.09933"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-through-quantum-dynamics-simulations-photo-excited-cyclobutanone-2402.09933"/></url>
<url><loc>https://scifaro.com/en/abs/oh-formation-following-vibrationally-induced-reaction-dynamics-of-h-2-coo-2402.10047</loc><lastmod>2024-02-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/oh-formation-following-vibrationally-induced-reaction-dynamics-of-h-2-coo-2402.10047"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/oh-formation-following-vibrationally-induced-reaction-dynamics-of-h-2-coo-2402.10047"/></url>
<url><loc>https://scifaro.com/en/abs/using-a-multistate-mapping-approach-to-surface-hopping-to-predict-the-ultrafast-electron-diffraction-signal-of-gas-phase-cyclobutanone-2402.10195</loc><lastmod>2024-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-a-multistate-mapping-approach-to-surface-hopping-to-predict-the-ultrafast-electron-diffraction-signal-of-gas-phase-cyclobutanone-2402.10195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-a-multistate-mapping-approach-to-surface-hopping-to-predict-the-ultrafast-electron-diffraction-signal-of-gas-phase-cyclobutanone-2402.10195"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-photochemistry-and-electron-diffraction-for-cyclobutanone-in-the-s2-state-surface-hopping-with-time-dependent-density-functional-theory-2402.10336</loc><lastmod>2024-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-photochemistry-and-electron-diffraction-for-cyclobutanone-in-the-s2-state-surface-hopping-with-time-dependent-density-functional-theory-2402.10336"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-photochemistry-and-electron-diffraction-for-cyclobutanone-in-the-s2-state-surface-hopping-with-time-dependent-density-functional-theory-2402.10336"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-electron-diffraction-of-photoexcited-gas-phase-cyclobutanone-predicted-by-ab-initio-multiple-cloning-simulations-2402.10349</loc><lastmod>2024-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-electron-diffraction-of-photoexcited-gas-phase-cyclobutanone-predicted-by-ab-initio-multiple-cloning-simulations-2402.10349"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-electron-diffraction-of-photoexcited-gas-phase-cyclobutanone-predicted-by-ab-initio-multiple-cloning-simulations-2402.10349"/></url>
<url><loc>https://scifaro.com/en/abs/ion-transport-through-short-nanopores-modulated-by-charged-exterior-surfaces-2402.10394</loc><lastmod>2024-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ion-transport-through-short-nanopores-modulated-by-charged-exterior-surfaces-2402.10394"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ion-transport-through-short-nanopores-modulated-by-charged-exterior-surfaces-2402.10394"/></url>
<url><loc>https://scifaro.com/en/abs/a-mash-simulation-of-the-photoexcited-dynamics-of-cyclobutanone-2402.10410</loc><lastmod>2024-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mash-simulation-of-the-photoexcited-dynamics-of-cyclobutanone-2402.10410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mash-simulation-of-the-photoexcited-dynamics-of-cyclobutanone-2402.10410"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-dynamics-created-at-conical-intersections-and-its-dephasing-in-aqueous-solution-2402.10508</loc><lastmod>2024-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-dynamics-created-at-conical-intersections-and-its-dephasing-in-aqueous-solution-2402.10508"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-dynamics-created-at-conical-intersections-and-its-dephasing-in-aqueous-solution-2402.10508"/></url>
<url><loc>https://scifaro.com/en/abs/line-shape-study-of-co-perturbed-by-n-2-with-mid-infrared-frequency-comb-based-fourier-transform-spectroscopy-2402.10509</loc><lastmod>2024-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/line-shape-study-of-co-perturbed-by-n-2-with-mid-infrared-frequency-comb-based-fourier-transform-spectroscopy-2402.10509"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/line-shape-study-of-co-perturbed-by-n-2-with-mid-infrared-frequency-comb-based-fourier-transform-spectroscopy-2402.10509"/></url>
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<url><loc>https://scifaro.com/en/abs/force-free-identification-of-minimum-energy-pathways-and-transition-states-for-stochastic-electronic-structure-theories-2402.13189</loc><lastmod>2024-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/force-free-identification-of-minimum-energy-pathways-and-transition-states-for-stochastic-electronic-structure-theories-2402.13189"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/force-free-identification-of-minimum-energy-pathways-and-transition-states-for-stochastic-electronic-structure-theories-2402.13189"/></url>
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<url><loc>https://scifaro.com/en/abs/reference-energies-for-valence-ionizations-and-satellite-transitions-2402.13877</loc><lastmod>2024-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reference-energies-for-valence-ionizations-and-satellite-transitions-2402.13877"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reference-energies-for-valence-ionizations-and-satellite-transitions-2402.13877"/></url>
<url><loc>https://scifaro.com/en/abs/anomalous-giant-superradiance-in-molecular-aggregates-coupled-to-polaritons-2402.14721</loc><lastmod>2026-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anomalous-giant-superradiance-in-molecular-aggregates-coupled-to-polaritons-2402.14721"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anomalous-giant-superradiance-in-molecular-aggregates-coupled-to-polaritons-2402.14721"/></url>
<url><loc>https://scifaro.com/en/abs/adaptive-hybrid-density-functionals-2402.14793</loc><lastmod>2024-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adaptive-hybrid-density-functionals-2402.14793"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adaptive-hybrid-density-functionals-2402.14793"/></url>
<url><loc>https://scifaro.com/en/abs/density-functional-theory-calculations-of-the-thermochemistry-of-the-dehydration-of-2-propanol-2402.14941</loc><lastmod>2024-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-functional-theory-calculations-of-the-thermochemistry-of-the-dehydration-of-2-propanol-2402.14941"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-functional-theory-calculations-of-the-thermochemistry-of-the-dehydration-of-2-propanol-2402.14941"/></url>
<url><loc>https://scifaro.com/en/abs/polaritonic-chemistry-enabled-by-non-local-metasurfaces-2402.15296</loc><lastmod>2024-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polaritonic-chemistry-enabled-by-non-local-metasurfaces-2402.15296"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polaritonic-chemistry-enabled-by-non-local-metasurfaces-2402.15296"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-and-reactivity-of-pi-systems-in-electric-and-magnetic-fields-a-perspective-from-conceptual-dft-2402.15595</loc><lastmod>2024-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-and-reactivity-of-pi-systems-in-electric-and-magnetic-fields-a-perspective-from-conceptual-dft-2402.15595"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-and-reactivity-of-pi-systems-in-electric-and-magnetic-fields-a-perspective-from-conceptual-dft-2402.15595"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-transient-x-ray-photoelectron-spectra-of-fe-co-5-and-its-photodissociation-products-with-multireference-algebraic-diagrammatic-construction-theory-2402.15599</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-transient-x-ray-photoelectron-spectra-of-fe-co-5-and-its-photodissociation-products-with-multireference-algebraic-diagrammatic-construction-theory-2402.15599"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-transient-x-ray-photoelectron-spectra-of-fe-co-5-and-its-photodissociation-products-with-multireference-algebraic-diagrammatic-construction-theory-2402.15599"/></url>
<url><loc>https://scifaro.com/en/abs/alignment-transport-between-ultracold-polar-molecules-2402.15626</loc><lastmod>2024-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alignment-transport-between-ultracold-polar-molecules-2402.15626"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alignment-transport-between-ultracold-polar-molecules-2402.15626"/></url>
<url><loc>https://scifaro.com/en/abs/integration-of-conventional-surface-science-techniques-with-surface-sensitive-azimuthal-and-polarization-dependent-femtosecond-resolved-sum-frequency-generation-spectroscopy-2402.16138</loc><lastmod>2024-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/integration-of-conventional-surface-science-techniques-with-surface-sensitive-azimuthal-and-polarization-dependent-femtosecond-resolved-sum-frequency-generation-spectroscopy-2402.16138"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/integration-of-conventional-surface-science-techniques-with-surface-sensitive-azimuthal-and-polarization-dependent-femtosecond-resolved-sum-frequency-generation-spectroscopy-2402.16138"/></url>
<url><loc>https://scifaro.com/en/abs/transferable-water-potentials-using-equivariant-neural-networks-2402.16204</loc><lastmod>2024-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transferable-water-potentials-using-equivariant-neural-networks-2402.16204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transferable-water-potentials-using-equivariant-neural-networks-2402.16204"/></url>
<url><loc>https://scifaro.com/en/abs/sparse-stochastic-fragmented-exchange-for-large-scale-hybrid-tddft-calculations-2402.16217</loc><lastmod>2025-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sparse-stochastic-fragmented-exchange-for-large-scale-hybrid-tddft-calculations-2402.16217"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sparse-stochastic-fragmented-exchange-for-large-scale-hybrid-tddft-calculations-2402.16217"/></url>
<url><loc>https://scifaro.com/en/abs/accelerated-basis-set-convergence-of-coupled-cluster-excitation-energies-using-the-density-based-basis-set-correction-method-2402.16378</loc><lastmod>2024-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerated-basis-set-convergence-of-coupled-cluster-excitation-energies-using-the-density-based-basis-set-correction-method-2402.16378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerated-basis-set-convergence-of-coupled-cluster-excitation-energies-using-the-density-based-basis-set-correction-method-2402.16378"/></url>
<url><loc>https://scifaro.com/en/abs/cumulant-green-s-function-methods-for-molecules-2402.16414</loc><lastmod>2024-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cumulant-green-s-function-methods-for-molecules-2402.16414"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cumulant-green-s-function-methods-for-molecules-2402.16414"/></url>
<url><loc>https://scifaro.com/en/abs/saddle-point-search-algorithms-for-variational-density-functional-calculations-of-excited-electronic-states-with-self-interaction-correction-2402.16601</loc><lastmod>2024-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/saddle-point-search-algorithms-for-variational-density-functional-calculations-of-excited-electronic-states-with-self-interaction-correction-2402.16601"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/saddle-point-search-algorithms-for-variational-density-functional-calculations-of-excited-electronic-states-with-self-interaction-correction-2402.16601"/></url>
<url><loc>https://scifaro.com/en/abs/uncertainty-quantification-by-direct-propagation-of-shallow-ensembles-2402.16621</loc><lastmod>2024-05-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncertainty-quantification-by-direct-propagation-of-shallow-ensembles-2402.16621"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncertainty-quantification-by-direct-propagation-of-shallow-ensembles-2402.16621"/></url>
<url><loc>https://scifaro.com/en/abs/microscopic-pathways-of-transition-from-low-density-to-high-density-amorphous-phase-of-water-2402.16761</loc><lastmod>2024-02-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/microscopic-pathways-of-transition-from-low-density-to-high-density-amorphous-phase-of-water-2402.16761"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/microscopic-pathways-of-transition-from-low-density-to-high-density-amorphous-phase-of-water-2402.16761"/></url>
<url><loc>https://scifaro.com/en/abs/frequency-dependent-vibronic-effects-in-steady-state-energy-transport-2402.16881</loc><lastmod>2024-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frequency-dependent-vibronic-effects-in-steady-state-energy-transport-2402.16881"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frequency-dependent-vibronic-effects-in-steady-state-energy-transport-2402.16881"/></url>
<url><loc>https://scifaro.com/en/abs/revealing-the-relationship-between-publication-bias-and-chemical-reactivity-with-contrastive-learning-2402.16882</loc><lastmod>2025-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revealing-the-relationship-between-publication-bias-and-chemical-reactivity-with-contrastive-learning-2402.16882"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revealing-the-relationship-between-publication-bias-and-chemical-reactivity-with-contrastive-learning-2402.16882"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-excitonic-dynamics-in-dna-bridging-correlated-quantum-dynamics-and-sequence-dependence-2402.16892</loc><lastmod>2024-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-excitonic-dynamics-in-dna-bridging-correlated-quantum-dynamics-and-sequence-dependence-2402.16892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-excitonic-dynamics-in-dna-bridging-correlated-quantum-dynamics-and-sequence-dependence-2402.16892"/></url>
<url><loc>https://scifaro.com/en/abs/trustmol-trustworthy-inverse-molecular-design-via-alignment-with-molecular-dynamics-2402.16930</loc><lastmod>2024-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/trustmol-trustworthy-inverse-molecular-design-via-alignment-with-molecular-dynamics-2402.16930"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/trustmol-trustworthy-inverse-molecular-design-via-alignment-with-molecular-dynamics-2402.16930"/></url>
<url><loc>https://scifaro.com/en/abs/full-quantum-state-control-of-chiral-molecules-2402.17308</loc><lastmod>2024-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-quantum-state-control-of-chiral-molecules-2402.17308"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-quantum-state-control-of-chiral-molecules-2402.17308"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-approach-to-coster-kronig-decay-and-auger-decay-in-hydrogen-sulfide-and-argon-2402.17368</loc><lastmod>2024-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-approach-to-coster-kronig-decay-and-auger-decay-in-hydrogen-sulfide-and-argon-2402.17368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-approach-to-coster-kronig-decay-and-auger-decay-in-hydrogen-sulfide-and-argon-2402.17368"/></url>
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<url><loc>https://scifaro.com/en/abs/outlier-detection-for-reactive-machine-learned-potential-energy-surfaces-2402.17686</loc><lastmod>2024-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/outlier-detection-for-reactive-machine-learned-potential-energy-surfaces-2402.17686"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/outlier-detection-for-reactive-machine-learned-potential-energy-surfaces-2402.17686"/></url>
<url><loc>https://scifaro.com/en/abs/hydrogen-bonding-in-water-under-extreme-confinement-2402.17989</loc><lastmod>2025-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hydrogen-bonding-in-water-under-extreme-confinement-2402.17989"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hydrogen-bonding-in-water-under-extreme-confinement-2402.17989"/></url>
<url><loc>https://scifaro.com/en/abs/generating-candidates-in-global-optimization-algorithms-using-complementary-energy-landscapes-2402.18338</loc><lastmod>2024-02-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generating-candidates-in-global-optimization-algorithms-using-complementary-energy-landscapes-2402.18338"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generating-candidates-in-global-optimization-algorithms-using-complementary-energy-landscapes-2402.18338"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-computation-of-auger-decay-in-heavy-metals-zinc-about-it-2402.18730</loc><lastmod>2024-03-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-computation-of-auger-decay-in-heavy-metals-zinc-about-it-2402.18730"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-computation-of-auger-decay-in-heavy-metals-zinc-about-it-2402.18730"/></url>
<url><loc>https://scifaro.com/en/abs/dft-and-model-hamiltonian-study-of-optoelectronic-properties-of-some-low-symmetry-graphene-quantum-dots-2402.19320</loc><lastmod>2024-12-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dft-and-model-hamiltonian-study-of-optoelectronic-properties-of-some-low-symmetry-graphene-quantum-dots-2402.19320"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dft-and-model-hamiltonian-study-of-optoelectronic-properties-of-some-low-symmetry-graphene-quantum-dots-2402.19320"/></url>
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<url><loc>https://scifaro.com/en/abs/single-vibronic-level-fluorescence-spectra-from-hagedorn-wavepacket-dynamics-2403.00577</loc><lastmod>2024-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/single-vibronic-level-fluorescence-spectra-from-hagedorn-wavepacket-dynamics-2403.00577"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/single-vibronic-level-fluorescence-spectra-from-hagedorn-wavepacket-dynamics-2403.00577"/></url>
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<url><loc>https://scifaro.com/en/abs/accurate-and-interpretable-representation-of-correlated-electronic-structure-via-tensor-product-selected-ci-2403.06913</loc><lastmod>2024-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-and-interpretable-representation-of-correlated-electronic-structure-via-tensor-product-selected-ci-2403.06913"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-and-interpretable-representation-of-correlated-electronic-structure-via-tensor-product-selected-ci-2403.06913"/></url>
<url><loc>https://scifaro.com/en/abs/water-isotope-separation-using-deep-learning-and-a-catalytically-active-ultrathin-membrane-2403.07163</loc><lastmod>2024-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/water-isotope-separation-using-deep-learning-and-a-catalytically-active-ultrathin-membrane-2403.07163"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/water-isotope-separation-using-deep-learning-and-a-catalytically-active-ultrathin-membrane-2403.07163"/></url>
<url><loc>https://scifaro.com/en/abs/vibronic-correlations-in-molecular-strong-field-dynamics-2403.08034</loc><lastmod>2024-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibronic-correlations-in-molecular-strong-field-dynamics-2403.08034"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibronic-correlations-in-molecular-strong-field-dynamics-2403.08034"/></url>
<url><loc>https://scifaro.com/en/abs/towards-the-superlubricity-of-polymer-steel-interfaces-with-ionic-liquids-and-carbon-nanotubes-2403.08373</loc><lastmod>2024-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-the-superlubricity-of-polymer-steel-interfaces-with-ionic-liquids-and-carbon-nanotubes-2403.08373"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-the-superlubricity-of-polymer-steel-interfaces-with-ionic-liquids-and-carbon-nanotubes-2403.08373"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-conical-intersections-without-explicit-use-of-non-adiabatic-couplings-2403.08574</loc><lastmod>2024-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-conical-intersections-without-explicit-use-of-non-adiabatic-couplings-2403.08574"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-conical-intersections-without-explicit-use-of-non-adiabatic-couplings-2403.08574"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-long-timescale-kinetics-under-variable-experimental-conditions-with-kinetica-jl-2403.08657</loc><lastmod>2025-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-long-timescale-kinetics-under-variable-experimental-conditions-with-kinetica-jl-2403.08657"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-long-timescale-kinetics-under-variable-experimental-conditions-with-kinetica-jl-2403.08657"/></url>
<url><loc>https://scifaro.com/en/abs/isotope-effects-in-supercooled-h-2-o-and-d-2-o-and-a-corresponding-states-like-rescaling-of-the-temperature-and-pressure-2403.08722</loc><lastmod>2024-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isotope-effects-in-supercooled-h-2-o-and-d-2-o-and-a-corresponding-states-like-rescaling-of-the-temperature-and-pressure-2403.08722"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isotope-effects-in-supercooled-h-2-o-and-d-2-o-and-a-corresponding-states-like-rescaling-of-the-temperature-and-pressure-2403.08722"/></url>
<url><loc>https://scifaro.com/en/abs/robust-chemiresistive-behavior-in-conductive-polymer-mof-composites-2403.08914</loc><lastmod>2024-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/robust-chemiresistive-behavior-in-conductive-polymer-mof-composites-2403.08914"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/robust-chemiresistive-behavior-in-conductive-polymer-mof-composites-2403.08914"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-clno-2-formation-at-the-interface-of-sea-salt-aerosol-2403.09052</loc><lastmod>2024-03-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-clno-2-formation-at-the-interface-of-sea-salt-aerosol-2403.09052"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-clno-2-formation-at-the-interface-of-sea-salt-aerosol-2403.09052"/></url>
<url><loc>https://scifaro.com/en/abs/alternant-hydrocarbon-diradicals-as-optically-addressable-molecular-qubits-2403.09102</loc><lastmod>2024-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alternant-hydrocarbon-diradicals-as-optically-addressable-molecular-qubits-2403.09102"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alternant-hydrocarbon-diradicals-as-optically-addressable-molecular-qubits-2403.09102"/></url>
<url><loc>https://scifaro.com/en/abs/temperature-and-tautomeric-effects-in-high-resolution-oxygen-1s-x-ray-photoelectron-spectroscopy-of-purines-and-pyrimidines-2403.09109</loc><lastmod>2025-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/temperature-and-tautomeric-effects-in-high-resolution-oxygen-1s-x-ray-photoelectron-spectroscopy-of-purines-and-pyrimidines-2403.09109"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/temperature-and-tautomeric-effects-in-high-resolution-oxygen-1s-x-ray-photoelectron-spectroscopy-of-purines-and-pyrimidines-2403.09109"/></url>
<url><loc>https://scifaro.com/en/abs/stopping-mass-selected-alkaline-earth-metal-monofluoride-beams-of-high-energy-via-formation-of-unusually-stable-anions-2403.09320</loc><lastmod>2024-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stopping-mass-selected-alkaline-earth-metal-monofluoride-beams-of-high-energy-via-formation-of-unusually-stable-anions-2403.09320"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stopping-mass-selected-alkaline-earth-metal-monofluoride-beams-of-high-energy-via-formation-of-unusually-stable-anions-2403.09320"/></url>
<url><loc>https://scifaro.com/en/abs/softmax-parameterization-of-the-occupation-numbers-for-natural-orbital-functionals-based-on-electron-pairing-approaches-2403.09463</loc><lastmod>2024-06-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/softmax-parameterization-of-the-occupation-numbers-for-natural-orbital-functionals-based-on-electron-pairing-approaches-2403.09463"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/softmax-parameterization-of-the-occupation-numbers-for-natural-orbital-functionals-based-on-electron-pairing-approaches-2403.09463"/></url>
<url><loc>https://scifaro.com/en/abs/classical-and-quantum-light-induced-non-adiabaticity-in-molecular-systems-2403.09897</loc><lastmod>2024-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/classical-and-quantum-light-induced-non-adiabaticity-in-molecular-systems-2403.09897"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/classical-and-quantum-light-induced-non-adiabaticity-in-molecular-systems-2403.09897"/></url>
<url><loc>https://scifaro.com/en/abs/low-cost-and-convenient-fabrication-of-polymer-micro-nanopores-with-the-needle-punching-process-and-their-applications-in-nanofluidic-sensing-2403.10029</loc><lastmod>2024-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-cost-and-convenient-fabrication-of-polymer-micro-nanopores-with-the-needle-punching-process-and-their-applications-in-nanofluidic-sensing-2403.10029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-cost-and-convenient-fabrication-of-polymer-micro-nanopores-with-the-needle-punching-process-and-their-applications-in-nanofluidic-sensing-2403.10029"/></url>
<url><loc>https://scifaro.com/en/abs/general-order-open-shell-coupled-cluster-method-with-partial-spin-adaptation-i-formulations-2403.10128</loc><lastmod>2024-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-order-open-shell-coupled-cluster-method-with-partial-spin-adaptation-i-formulations-2403.10128"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-order-open-shell-coupled-cluster-method-with-partial-spin-adaptation-i-formulations-2403.10128"/></url>
<url><loc>https://scifaro.com/en/abs/gradnav-accelerated-exploration-of-potential-energy-surfaces-with-gradient-based-navigation-2403.10358</loc><lastmod>2024-04-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gradnav-accelerated-exploration-of-potential-energy-surfaces-with-gradient-based-navigation-2403.10358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gradnav-accelerated-exploration-of-potential-energy-surfaces-with-gradient-based-navigation-2403.10358"/></url>
<url><loc>https://scifaro.com/en/abs/a-size-consistent-multi-state-mapping-approach-to-surface-hopping-2403.10627</loc><lastmod>2024-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-size-consistent-multi-state-mapping-approach-to-surface-hopping-2403.10627"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-size-consistent-multi-state-mapping-approach-to-surface-hopping-2403.10627"/></url>
<url><loc>https://scifaro.com/en/abs/good-rates-from-bad-coordinates-the-exponential-average-time-dependent-rate-approach-2403.10668</loc><lastmod>2024-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/good-rates-from-bad-coordinates-the-exponential-average-time-dependent-rate-approach-2403.10668"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/good-rates-from-bad-coordinates-the-exponential-average-time-dependent-rate-approach-2403.10668"/></url>
<url><loc>https://scifaro.com/en/abs/the-average-bond-length-of-diatomic-molecules-in-thermodynamical-equilibrium-depends-on-the-volume-2403.10974</loc><lastmod>2024-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-average-bond-length-of-diatomic-molecules-in-thermodynamical-equilibrium-depends-on-the-volume-2403.10974"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-average-bond-length-of-diatomic-molecules-in-thermodynamical-equilibrium-depends-on-the-volume-2403.10974"/></url>
<url><loc>https://scifaro.com/en/abs/a-fully-dynamical-description-of-time-resolved-resonant-inelastic-x-ray-scattering-of-pyrazine-2403.11005</loc><lastmod>2024-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-fully-dynamical-description-of-time-resolved-resonant-inelastic-x-ray-scattering-of-pyrazine-2403.11005"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-fully-dynamical-description-of-time-resolved-resonant-inelastic-x-ray-scattering-of-pyrazine-2403.11005"/></url>
<url><loc>https://scifaro.com/en/abs/tell-machine-learning-potentials-what-they-are-needed-for-simulation-oriented-training-exemplified-for-glycine-2403.11216</loc><lastmod>2024-04-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tell-machine-learning-potentials-what-they-are-needed-for-simulation-oriented-training-exemplified-for-glycine-2403.11216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tell-machine-learning-potentials-what-they-are-needed-for-simulation-oriented-training-exemplified-for-glycine-2403.11216"/></url>
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<url><loc>https://scifaro.com/en/abs/surface-hopping-molecular-dynamics-simulation-of-ultrafast-methyl-iodide-photodissociation-mapped-by-coulomb-explosion-imaging-2403.11592</loc><lastmod>2024-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-hopping-molecular-dynamics-simulation-of-ultrafast-methyl-iodide-photodissociation-mapped-by-coulomb-explosion-imaging-2403.11592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-hopping-molecular-dynamics-simulation-of-ultrafast-methyl-iodide-photodissociation-mapped-by-coulomb-explosion-imaging-2403.11592"/></url>
<url><loc>https://scifaro.com/en/abs/mechanical-effects-of-carboxymethylcellulose-binder-in-hard-carbon-electrodes-2403.11668</loc><lastmod>2024-03-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanical-effects-of-carboxymethylcellulose-binder-in-hard-carbon-electrodes-2403.11668"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanical-effects-of-carboxymethylcellulose-binder-in-hard-carbon-electrodes-2403.11668"/></url>
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<url><loc>https://scifaro.com/en/abs/neural-canonical-transformations-for-vibrational-spectra-of-molecules-2403.12518</loc><lastmod>2024-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-canonical-transformations-for-vibrational-spectra-of-molecules-2403.12518"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-canonical-transformations-for-vibrational-spectra-of-molecules-2403.12518"/></url>
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<url><loc>https://scifaro.com/en/abs/influence-of-concentration-dependent-material-properties-on-the-fracture-and-debonding-of-electrode-particles-with-core-shell-structure-2403.13409</loc><lastmod>2024-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-concentration-dependent-material-properties-on-the-fracture-and-debonding-of-electrode-particles-with-core-shell-structure-2403.13409"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-concentration-dependent-material-properties-on-the-fracture-and-debonding-of-electrode-particles-with-core-shell-structure-2403.13409"/></url>
<url><loc>https://scifaro.com/en/abs/how-quickly-can-sodium-ion-learn-assessing-scenarios-for-techno-economic-competitiveness-against-lithium-ion-batteries-2403.13759</loc><lastmod>2024-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-quickly-can-sodium-ion-learn-assessing-scenarios-for-techno-economic-competitiveness-against-lithium-ion-batteries-2403.13759"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-quickly-can-sodium-ion-learn-assessing-scenarios-for-techno-economic-competitiveness-against-lithium-ion-batteries-2403.13759"/></url>
<url><loc>https://scifaro.com/en/abs/considerations-in-the-use-of-ml-interaction-potentials-for-free-energy-calculations-2403.13952</loc><lastmod>2025-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/considerations-in-the-use-of-ml-interaction-potentials-for-free-energy-calculations-2403.13952"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/considerations-in-the-use-of-ml-interaction-potentials-for-free-energy-calculations-2403.13952"/></url>
<url><loc>https://scifaro.com/en/abs/examining-the-impact-of-local-condition-violations-on-energy-computations-in-dft-2403.14073</loc><lastmod>2025-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/examining-the-impact-of-local-condition-violations-on-energy-computations-in-dft-2403.14073"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/examining-the-impact-of-local-condition-violations-on-energy-computations-in-dft-2403.14073"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-substitution-group-on-intramolecular-hydrogen-bond-of-amino-alcohols-from-raman-spectroscopy-2403.14129</loc><lastmod>2024-03-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-substitution-group-on-intramolecular-hydrogen-bond-of-amino-alcohols-from-raman-spectroscopy-2403.14129"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-substitution-group-on-intramolecular-hydrogen-bond-of-amino-alcohols-from-raman-spectroscopy-2403.14129"/></url>
<url><loc>https://scifaro.com/en/abs/current-density-functional-framework-for-spin-orbit-coupling-extension-to-periodic-systems-2403.14420</loc><lastmod>2024-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/current-density-functional-framework-for-spin-orbit-coupling-extension-to-periodic-systems-2403.14420"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/current-density-functional-framework-for-spin-orbit-coupling-extension-to-periodic-systems-2403.14420"/></url>
<url><loc>https://scifaro.com/en/abs/co2-capture-using-boron-nitrogen-and-phosphorus-doped-c20-in-the-present-electric-field-a-dft-study-2403.14507</loc><lastmod>2024-05-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/co2-capture-using-boron-nitrogen-and-phosphorus-doped-c20-in-the-present-electric-field-a-dft-study-2403.14507"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/co2-capture-using-boron-nitrogen-and-phosphorus-doped-c20-in-the-present-electric-field-a-dft-study-2403.14507"/></url>
<url><loc>https://scifaro.com/en/abs/a-systematic-study-to-investigate-the-effects-of-x-ray-exposure-on-electrical-properties-of-silicon-dioxide-thin-films-using-x-ray-photoelectron-spectroscopy-2403.14867</loc><lastmod>2024-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-systematic-study-to-investigate-the-effects-of-x-ray-exposure-on-electrical-properties-of-silicon-dioxide-thin-films-using-x-ray-photoelectron-spectroscopy-2403.14867"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-systematic-study-to-investigate-the-effects-of-x-ray-exposure-on-electrical-properties-of-silicon-dioxide-thin-films-using-x-ray-photoelectron-spectroscopy-2403.14867"/></url>
<url><loc>https://scifaro.com/en/abs/co-2-and-no-2-formation-on-amorphous-solid-water-2403.15141</loc><lastmod>2024-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/co-2-and-no-2-formation-on-amorphous-solid-water-2403.15141"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/co-2-and-no-2-formation-on-amorphous-solid-water-2403.15141"/></url>
<url><loc>https://scifaro.com/en/abs/benchmarking-of-machine-learning-interatomic-potentials-for-reactive-hydrogen-dynamics-at-metal-surfaces-2403.15334</loc><lastmod>2024-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-of-machine-learning-interatomic-potentials-for-reactive-hydrogen-dynamics-at-metal-surfaces-2403.15334"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-of-machine-learning-interatomic-potentials-for-reactive-hydrogen-dynamics-at-metal-surfaces-2403.15334"/></url>
<url><loc>https://scifaro.com/en/abs/multistep-reversible-excitation-transfer-in-a-multicomponent-rigid-solution-ii-modeling-the-dynamics-of-radiationless-transfer-as-a-time-resolved-markov-chain-2403.15425</loc><lastmod>2025-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multistep-reversible-excitation-transfer-in-a-multicomponent-rigid-solution-ii-modeling-the-dynamics-of-radiationless-transfer-as-a-time-resolved-markov-chain-2403.15425"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multistep-reversible-excitation-transfer-in-a-multicomponent-rigid-solution-ii-modeling-the-dynamics-of-radiationless-transfer-as-a-time-resolved-markov-chain-2403.15425"/></url>
<url><loc>https://scifaro.com/en/abs/multistep-reversible-excitation-transfer-in-a-multicomponent-rigid-solution-i-calculation-of-steady-state-and-time-resolved-fluorescence-intensities-2403.15428</loc><lastmod>2025-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multistep-reversible-excitation-transfer-in-a-multicomponent-rigid-solution-i-calculation-of-steady-state-and-time-resolved-fluorescence-intensities-2403.15428"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multistep-reversible-excitation-transfer-in-a-multicomponent-rigid-solution-i-calculation-of-steady-state-and-time-resolved-fluorescence-intensities-2403.15428"/></url>
<url><loc>https://scifaro.com/en/abs/unified-generative-modeling-of-3d-molecules-via-bayesian-flow-networks-2403.15441</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unified-generative-modeling-of-3d-molecules-via-bayesian-flow-networks-2403.15441"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unified-generative-modeling-of-3d-molecules-via-bayesian-flow-networks-2403.15441"/></url>
<url><loc>https://scifaro.com/en/abs/automatic-state-interaction-with-large-localized-active-spaces-for-multimetallic-systems-2403.15495</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automatic-state-interaction-with-large-localized-active-spaces-for-multimetallic-systems-2403.15495"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automatic-state-interaction-with-large-localized-active-spaces-for-multimetallic-systems-2403.15495"/></url>
<url><loc>https://scifaro.com/en/abs/precision-spectroscopy-of-non-thermal-molecular-plasmas-using-mid-infrared-optical-frequency-comb-fourier-transform-spectroscopy-2403.15568</loc><lastmod>2024-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/precision-spectroscopy-of-non-thermal-molecular-plasmas-using-mid-infrared-optical-frequency-comb-fourier-transform-spectroscopy-2403.15568"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/precision-spectroscopy-of-non-thermal-molecular-plasmas-using-mid-infrared-optical-frequency-comb-fourier-transform-spectroscopy-2403.15568"/></url>
<url><loc>https://scifaro.com/en/abs/spectral-profile-of-ro-vibrational-transitions-of-hcl-broadened-by-he-ar-and-sf6-testing-the-beta-correction-to-the-hartmann-tran-profile-and-the-speed-dependent-complex-hard-collision-model-2403.15838</loc><lastmod>2024-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectral-profile-of-ro-vibrational-transitions-of-hcl-broadened-by-he-ar-and-sf6-testing-the-beta-correction-to-the-hartmann-tran-profile-and-the-speed-dependent-complex-hard-collision-model-2403.15838"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectral-profile-of-ro-vibrational-transitions-of-hcl-broadened-by-he-ar-and-sf6-testing-the-beta-correction-to-the-hartmann-tran-profile-and-the-speed-dependent-complex-hard-collision-model-2403.15838"/></url>
<url><loc>https://scifaro.com/en/abs/reactions-dynamics-for-x-h2-insertion-reactions-x-c-1d-n-2d-o-1d-s-1d-with-cayley-propagator-ring-polymer-molecular-dynamics-2403.16160</loc><lastmod>2024-06-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactions-dynamics-for-x-h2-insertion-reactions-x-c-1d-n-2d-o-1d-s-1d-with-cayley-propagator-ring-polymer-molecular-dynamics-2403.16160"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactions-dynamics-for-x-h2-insertion-reactions-x-c-1d-n-2d-o-1d-s-1d-with-cayley-propagator-ring-polymer-molecular-dynamics-2403.16160"/></url>
<url><loc>https://scifaro.com/en/abs/acceleration-of-fe-3-fe-2-cycle-in-garland-like-mil-101-fe-mos-2-nanosheets-to-promote-peroxymonosulfate-activation-for-sulfamethoxazole-degradation-2403.16200</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/acceleration-of-fe-3-fe-2-cycle-in-garland-like-mil-101-fe-mos-2-nanosheets-to-promote-peroxymonosulfate-activation-for-sulfamethoxazole-degradation-2403.16200"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/acceleration-of-fe-3-fe-2-cycle-in-garland-like-mil-101-fe-mos-2-nanosheets-to-promote-peroxymonosulfate-activation-for-sulfamethoxazole-degradation-2403.16200"/></url>
<url><loc>https://scifaro.com/en/abs/floquet-magnus-expansion-and-fer-expansion-approaches-revisited-to-investigate-the-chemical-shift-anisotropy-during-the-triple-oscillating-field-technique-irradiation-in-solid-state-nmr-2403.16359</loc><lastmod>2024-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/floquet-magnus-expansion-and-fer-expansion-approaches-revisited-to-investigate-the-chemical-shift-anisotropy-during-the-triple-oscillating-field-technique-irradiation-in-solid-state-nmr-2403.16359"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/floquet-magnus-expansion-and-fer-expansion-approaches-revisited-to-investigate-the-chemical-shift-anisotropy-during-the-triple-oscillating-field-technique-irradiation-in-solid-state-nmr-2403.16359"/></url>
<url><loc>https://scifaro.com/en/abs/highly-dispersed-ru-nanoparticles-anchored-on-nial-layered-double-oxides-catalyst-for-selective-hydrodeoxygenation-of-vanillin-2403.16433</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-dispersed-ru-nanoparticles-anchored-on-nial-layered-double-oxides-catalyst-for-selective-hydrodeoxygenation-of-vanillin-2403.16433"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-dispersed-ru-nanoparticles-anchored-on-nial-layered-double-oxides-catalyst-for-selective-hydrodeoxygenation-of-vanillin-2403.16433"/></url>
<url><loc>https://scifaro.com/en/abs/topological-iron-silicide-with-h-intermediate-modulated-surface-for-efficient-electrocatalytic-hydrogenation-of-nitrobenzene-in-neutral-medium-2403.16455</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/topological-iron-silicide-with-h-intermediate-modulated-surface-for-efficient-electrocatalytic-hydrogenation-of-nitrobenzene-in-neutral-medium-2403.16455"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/topological-iron-silicide-with-h-intermediate-modulated-surface-for-efficient-electrocatalytic-hydrogenation-of-nitrobenzene-in-neutral-medium-2403.16455"/></url>
<url><loc>https://scifaro.com/en/abs/preparation-of-tautomer-pure-molecular-beams-by-electrostatic-deflection-2403.16617</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/preparation-of-tautomer-pure-molecular-beams-by-electrostatic-deflection-2403.16617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/preparation-of-tautomer-pure-molecular-beams-by-electrostatic-deflection-2403.16617"/></url>
<url><loc>https://scifaro.com/en/abs/facile-synthesis-of-cosi-alloy-with-rich-vacancy-for-base-and-solvent-free-aerobic-oxidation-of-aromatic-alcohols-2403.16708</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/facile-synthesis-of-cosi-alloy-with-rich-vacancy-for-base-and-solvent-free-aerobic-oxidation-of-aromatic-alcohols-2403.16708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/facile-synthesis-of-cosi-alloy-with-rich-vacancy-for-base-and-solvent-free-aerobic-oxidation-of-aromatic-alcohols-2403.16708"/></url>
<url><loc>https://scifaro.com/en/abs/direct-activation-of-pms-by-highly-dispersed-amorphous-coox-clusters-in-anatase-tio2-nanosheets-for-efficient-oxidation-of-biomass-derived-alcohols-2403.16733</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-activation-of-pms-by-highly-dispersed-amorphous-coox-clusters-in-anatase-tio2-nanosheets-for-efficient-oxidation-of-biomass-derived-alcohols-2403.16733"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-activation-of-pms-by-highly-dispersed-amorphous-coox-clusters-in-anatase-tio2-nanosheets-for-efficient-oxidation-of-biomass-derived-alcohols-2403.16733"/></url>
<url><loc>https://scifaro.com/en/abs/recent-advances-on-co2-assisted-synthesis-of-metal-nanoparticles-for-the-upgrading-of-biomass-derived-compounds-2403.16751</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recent-advances-on-co2-assisted-synthesis-of-metal-nanoparticles-for-the-upgrading-of-biomass-derived-compounds-2403.16751"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recent-advances-on-co2-assisted-synthesis-of-metal-nanoparticles-for-the-upgrading-of-biomass-derived-compounds-2403.16751"/></url>
<url><loc>https://scifaro.com/en/abs/multimodal-operando-microscopy-reveals-that-interfacial-chemistry-and-nanoscale-performance-disorder-dictate-perovskite-solar-cell-stability-2403.16988</loc><lastmod>2024-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multimodal-operando-microscopy-reveals-that-interfacial-chemistry-and-nanoscale-performance-disorder-dictate-perovskite-solar-cell-stability-2403.16988"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multimodal-operando-microscopy-reveals-that-interfacial-chemistry-and-nanoscale-performance-disorder-dictate-perovskite-solar-cell-stability-2403.16988"/></url>
<url><loc>https://scifaro.com/en/abs/addressing-the-band-gap-problem-with-a-machine-learned-exchange-functional-2403.17002</loc><lastmod>2024-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/addressing-the-band-gap-problem-with-a-machine-learned-exchange-functional-2403.17002"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/addressing-the-band-gap-problem-with-a-machine-learned-exchange-functional-2403.17002"/></url>
<url><loc>https://scifaro.com/en/abs/coupling-constant-averaged-exchange-correlation-hole-for-he-li-be-n-ne-atoms-from-ccsd-2403.17424</loc><lastmod>2024-11-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupling-constant-averaged-exchange-correlation-hole-for-he-li-be-n-ne-atoms-from-ccsd-2403.17424"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupling-constant-averaged-exchange-correlation-hole-for-he-li-be-n-ne-atoms-from-ccsd-2403.17424"/></url>
<url><loc>https://scifaro.com/en/abs/a-unified-framework-for-coarse-grained-molecular-dynamics-of-proteins-with-high-fidelity-reconstruction-2403.17513</loc><lastmod>2024-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-unified-framework-for-coarse-grained-molecular-dynamics-of-proteins-with-high-fidelity-reconstruction-2403.17513"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-unified-framework-for-coarse-grained-molecular-dynamics-of-proteins-with-high-fidelity-reconstruction-2403.17513"/></url>
<url><loc>https://scifaro.com/en/abs/different-intermediate-water-cluster-with-distinct-nucleation-dynamics-among-mono-layer-ice-nucleation-2403.17544</loc><lastmod>2024-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/different-intermediate-water-cluster-with-distinct-nucleation-dynamics-among-mono-layer-ice-nucleation-2403.17544"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/different-intermediate-water-cluster-with-distinct-nucleation-dynamics-among-mono-layer-ice-nucleation-2403.17544"/></url>
<url><loc>https://scifaro.com/en/abs/facile-synthesis-of-micro-flower-nico2o4-assembled-by-nanosheets-efficient-for-electrocatalysis-of-water-2403.17744</loc><lastmod>2024-03-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/facile-synthesis-of-micro-flower-nico2o4-assembled-by-nanosheets-efficient-for-electrocatalysis-of-water-2403.17744"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/facile-synthesis-of-micro-flower-nico2o4-assembled-by-nanosheets-efficient-for-electrocatalysis-of-water-2403.17744"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-heating-induced-suppression-of-d-band-dominance-in-the-electronic-excitation-spectrum-of-cuprum-2403.17815</loc><lastmod>2025-05-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-heating-induced-suppression-of-d-band-dominance-in-the-electronic-excitation-spectrum-of-cuprum-2403.17815"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-heating-induced-suppression-of-d-band-dominance-in-the-electronic-excitation-spectrum-of-cuprum-2403.17815"/></url>
<url><loc>https://scifaro.com/en/abs/mbe-casscf-approach-for-the-accurate-treatment-of-large-active-spaces-2403.17836</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mbe-casscf-approach-for-the-accurate-treatment-of-large-active-spaces-2403.17836"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mbe-casscf-approach-for-the-accurate-treatment-of-large-active-spaces-2403.17836"/></url>
<url><loc>https://scifaro.com/en/abs/atomistic-descriptor-optimization-using-complementary-euclidean-and-geodesic-distance-information-2403.18090</loc><lastmod>2024-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomistic-descriptor-optimization-using-complementary-euclidean-and-geodesic-distance-information-2403.18090"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomistic-descriptor-optimization-using-complementary-euclidean-and-geodesic-distance-information-2403.18090"/></url>
<url><loc>https://scifaro.com/en/abs/determination-of-output-composition-in-reaction-advection-diffusion-systems-on-network-reactors-2403.18239</loc><lastmod>2024-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determination-of-output-composition-in-reaction-advection-diffusion-systems-on-network-reactors-2403.18239"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determination-of-output-composition-in-reaction-advection-diffusion-systems-on-network-reactors-2403.18239"/></url>
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<url><loc>https://scifaro.com/en/abs/toward-reliable-dipole-moments-without-single-excitations-the-role-of-orbital-rotations-and-dynamical-correlation-2404.06385</loc><lastmod>2024-04-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-reliable-dipole-moments-without-single-excitations-the-role-of-orbital-rotations-and-dynamical-correlation-2404.06385"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-reliable-dipole-moments-without-single-excitations-the-role-of-orbital-rotations-and-dynamical-correlation-2404.06385"/></url>
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<url><loc>https://scifaro.com/en/abs/propensity-of-water-self-ions-at-air-oil-water-interfaces-revealed-by-deep-potential-molecular-dynamics-with-enhanced-sampling-2404.07027</loc><lastmod>2025-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/propensity-of-water-self-ions-at-air-oil-water-interfaces-revealed-by-deep-potential-molecular-dynamics-with-enhanced-sampling-2404.07027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/propensity-of-water-self-ions-at-air-oil-water-interfaces-revealed-by-deep-potential-molecular-dynamics-with-enhanced-sampling-2404.07027"/></url>
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<url><loc>https://scifaro.com/en/abs/relativistic-and-quantum-electrodynamics-effects-on-nmr-shielding-tensors-of-tl-x-x-h-f-cl-br-i-at-molecules-2404.07359</loc><lastmod>2025-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-and-quantum-electrodynamics-effects-on-nmr-shielding-tensors-of-tl-x-x-h-f-cl-br-i-at-molecules-2404.07359"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-and-quantum-electrodynamics-effects-on-nmr-shielding-tensors-of-tl-x-x-h-f-cl-br-i-at-molecules-2404.07359"/></url>
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<url><loc>https://scifaro.com/en/abs/numerical-investigation-of-the-quantum-inverse-algorithm-on-small-molecules-2404.07512</loc><lastmod>2026-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-investigation-of-the-quantum-inverse-algorithm-on-small-molecules-2404.07512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-investigation-of-the-quantum-inverse-algorithm-on-small-molecules-2404.07512"/></url>
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<url><loc>https://scifaro.com/en/abs/orbital-optimisation-in-xtc-transcorrelated-methods-2404.07764</loc><lastmod>2024-04-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-optimisation-in-xtc-transcorrelated-methods-2404.07764"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-optimisation-in-xtc-transcorrelated-methods-2404.07764"/></url>
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<url><loc>https://scifaro.com/en/abs/diamond-surfaces-with-lateral-gradients-for-systematic-optimization-of-surface-chemistry-for-relaxometry-a-low-pressure-plasma-based-approach-2404.11961</loc><lastmod>2024-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diamond-surfaces-with-lateral-gradients-for-systematic-optimization-of-surface-chemistry-for-relaxometry-a-low-pressure-plasma-based-approach-2404.11961"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diamond-surfaces-with-lateral-gradients-for-systematic-optimization-of-surface-chemistry-for-relaxometry-a-low-pressure-plasma-based-approach-2404.11961"/></url>
<url><loc>https://scifaro.com/en/abs/non-adiabatic-electronic-relaxation-of-tetracene-from-its-brightest-singlet-excited-state-2404.12092</loc><lastmod>2024-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-adiabatic-electronic-relaxation-of-tetracene-from-its-brightest-singlet-excited-state-2404.12092"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-adiabatic-electronic-relaxation-of-tetracene-from-its-brightest-singlet-excited-state-2404.12092"/></url>
<url><loc>https://scifaro.com/en/abs/how-thick-is-the-air-water-interface-a-direct-experimental-measurement-of-the-decay-length-of-the-interfacial-structural-anisotropy-2404.12247</loc><lastmod>2024-04-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-thick-is-the-air-water-interface-a-direct-experimental-measurement-of-the-decay-length-of-the-interfacial-structural-anisotropy-2404.12247"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-thick-is-the-air-water-interface-a-direct-experimental-measurement-of-the-decay-length-of-the-interfacial-structural-anisotropy-2404.12247"/></url>
<url><loc>https://scifaro.com/en/abs/convergence-analysis-of-the-stochastic-resolution-of-identity-comparing-hutchinson-to-hutch-for-the-second-order-green-s-function-2404.12508</loc><lastmod>2024-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/convergence-analysis-of-the-stochastic-resolution-of-identity-comparing-hutchinson-to-hutch-for-the-second-order-green-s-function-2404.12508"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/convergence-analysis-of-the-stochastic-resolution-of-identity-comparing-hutchinson-to-hutch-for-the-second-order-green-s-function-2404.12508"/></url>
<url><loc>https://scifaro.com/en/abs/stationary-conditions-for-excited-states-the-surprising-impact-of-density-driven-correlations-2404.12593</loc><lastmod>2025-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stationary-conditions-for-excited-states-the-surprising-impact-of-density-driven-correlations-2404.12593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stationary-conditions-for-excited-states-the-surprising-impact-of-density-driven-correlations-2404.12593"/></url>
<url><loc>https://scifaro.com/en/abs/mixed-polyanionic-nafe-1-6-v-0-4-po-4-so-4-2-cnt-cathode-for-sodium-ion-batteries-electrochemical-diffusion-kinetics-and-distribution-of-relaxation-time-analysis-at-different-temperatures-2404.12822</loc><lastmod>2024-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixed-polyanionic-nafe-1-6-v-0-4-po-4-so-4-2-cnt-cathode-for-sodium-ion-batteries-electrochemical-diffusion-kinetics-and-distribution-of-relaxation-time-analysis-at-different-temperatures-2404.12822"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixed-polyanionic-nafe-1-6-v-0-4-po-4-so-4-2-cnt-cathode-for-sodium-ion-batteries-electrochemical-diffusion-kinetics-and-distribution-of-relaxation-time-analysis-at-different-temperatures-2404.12822"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-and-fast-geometry-optimization-with-time-estimation-and-method-switching-2404.12842</loc><lastmod>2024-04-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-and-fast-geometry-optimization-with-time-estimation-and-method-switching-2404.12842"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-and-fast-geometry-optimization-with-time-estimation-and-method-switching-2404.12842"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-coupled-cluster-with-completely-renormalized-and-perturbative-triples-corrections-2404.13231</loc><lastmod>2024-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-coupled-cluster-with-completely-renormalized-and-perturbative-triples-corrections-2404.13231"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-coupled-cluster-with-completely-renormalized-and-perturbative-triples-corrections-2404.13231"/></url>
<url><loc>https://scifaro.com/en/abs/synergistic-integration-of-physical-embedding-and-machine-learning-enabling-precise-and-reliable-force-field-2404.13368</loc><lastmod>2024-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synergistic-integration-of-physical-embedding-and-machine-learning-enabling-precise-and-reliable-force-field-2404.13368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synergistic-integration-of-physical-embedding-and-machine-learning-enabling-precise-and-reliable-force-field-2404.13368"/></url>
<url><loc>https://scifaro.com/en/abs/can-the-combination-of-in-situ-differential-impedance-spectroscopy-and-27al-nmr-detect-incongruent-zeolite-crystallization-2404.13395</loc><lastmod>2024-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-the-combination-of-in-situ-differential-impedance-spectroscopy-and-27al-nmr-detect-incongruent-zeolite-crystallization-2404.13395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-the-combination-of-in-situ-differential-impedance-spectroscopy-and-27al-nmr-detect-incongruent-zeolite-crystallization-2404.13395"/></url>
<url><loc>https://scifaro.com/en/abs/react-ot-optimal-transport-for-generating-transition-state-in-chemical-reactions-2404.13430</loc><lastmod>2024-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/react-ot-optimal-transport-for-generating-transition-state-in-chemical-reactions-2404.13430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/react-ot-optimal-transport-for-generating-transition-state-in-chemical-reactions-2404.13430"/></url>
<url><loc>https://scifaro.com/en/abs/physics-informed-neural-networks-and-beyond-enforcing-physical-constraints-in-quantum-dissipative-dynamics-2404.14021</loc><lastmod>2024-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physics-informed-neural-networks-and-beyond-enforcing-physical-constraints-in-quantum-dissipative-dynamics-2404.14021"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physics-informed-neural-networks-and-beyond-enforcing-physical-constraints-in-quantum-dissipative-dynamics-2404.14021"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-molecular-model-for-hydrated-silicate-ionic-liquids-a-realistic-zeolite-precursor-2404.14170</loc><lastmod>2024-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-molecular-model-for-hydrated-silicate-ionic-liquids-a-realistic-zeolite-precursor-2404.14170"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-molecular-model-for-hydrated-silicate-ionic-liquids-a-realistic-zeolite-precursor-2404.14170"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-excited-state-dynamics-and-energy-gradients-in-the-framework-of-fmo-lc-tddftb-2404.14174</loc><lastmod>2024-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-excited-state-dynamics-and-energy-gradients-in-the-framework-of-fmo-lc-tddftb-2404.14174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-excited-state-dynamics-and-energy-gradients-in-the-framework-of-fmo-lc-tddftb-2404.14174"/></url>
<url><loc>https://scifaro.com/en/abs/managing-expectations-and-imbalanced-training-data-in-reactive-force-field-development-an-application-to-water-adsorption-on-alumina-2404.14338</loc><lastmod>2024-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/managing-expectations-and-imbalanced-training-data-in-reactive-force-field-development-an-application-to-water-adsorption-on-alumina-2404.14338"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/managing-expectations-and-imbalanced-training-data-in-reactive-force-field-development-an-application-to-water-adsorption-on-alumina-2404.14338"/></url>
<url><loc>https://scifaro.com/en/abs/reformulation-of-time-dependent-density-functional-theory-for-non-perturbative-dynamics-the-rabi-oscillation-problem-resolved-2404.14505</loc><lastmod>2024-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reformulation-of-time-dependent-density-functional-theory-for-non-perturbative-dynamics-the-rabi-oscillation-problem-resolved-2404.14505"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reformulation-of-time-dependent-density-functional-theory-for-non-perturbative-dynamics-the-rabi-oscillation-problem-resolved-2404.14505"/></url>
<url><loc>https://scifaro.com/en/abs/distinguishing-homolytic-versus-heterolytic-bond-dissociation-of-phenyl-sulfonium-cations-with-localized-active-space-methods-2404.14512</loc><lastmod>2025-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/distinguishing-homolytic-versus-heterolytic-bond-dissociation-of-phenyl-sulfonium-cations-with-localized-active-space-methods-2404.14512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/distinguishing-homolytic-versus-heterolytic-bond-dissociation-of-phenyl-sulfonium-cations-with-localized-active-space-methods-2404.14512"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-of-collision-induced-excitation-and-quenching-of-atomic-nitrogen-2404.14593</loc><lastmod>2024-04-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-of-collision-induced-excitation-and-quenching-of-atomic-nitrogen-2404.14593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-of-collision-induced-excitation-and-quenching-of-atomic-nitrogen-2404.14593"/></url>
<url><loc>https://scifaro.com/en/abs/a-rotational-roto-translational-constraint-method-for-condensed-matter-2404.15517</loc><lastmod>2024-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-rotational-roto-translational-constraint-method-for-condensed-matter-2404.15517"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-rotational-roto-translational-constraint-method-for-condensed-matter-2404.15517"/></url>
<url><loc>https://scifaro.com/en/abs/computational-design-of-boron-free-triangular-molecules-with-inverted-singlet-triplet-energy-gap-2404.15768</loc><lastmod>2024-04-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-design-of-boron-free-triangular-molecules-with-inverted-singlet-triplet-energy-gap-2404.15768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-design-of-boron-free-triangular-molecules-with-inverted-singlet-triplet-energy-gap-2404.15768"/></url>
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<url><loc>https://scifaro.com/en/abs/analysis-of-flame-structure-and-interactions-between-chemical-reactions-species-transport-and-heat-release-in-laminar-flames-2404.16762</loc><lastmod>2024-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analysis-of-flame-structure-and-interactions-between-chemical-reactions-species-transport-and-heat-release-in-laminar-flames-2404.16762"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analysis-of-flame-structure-and-interactions-between-chemical-reactions-species-transport-and-heat-release-in-laminar-flames-2404.16762"/></url>
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<url><loc>https://scifaro.com/en/abs/vibrational-coherences-in-half-broadband-2d-electronic-spectroscopy-spectral-filtering-to-identify-excited-state-displacements-2404.17362</loc><lastmod>2024-06-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/vibrational-coherences-in-half-broadband-2d-electronic-spectroscopy-spectral-filtering-to-identify-excited-state-displacements-2404.17362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/vibrational-coherences-in-half-broadband-2d-electronic-spectroscopy-spectral-filtering-to-identify-excited-state-displacements-2404.17362"/></url>
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<url><loc>https://scifaro.com/en/abs/excimer-formation-in-zinc-phthalocyanine-revealed-using-ultrafast-electron-diffraction-2404.18292</loc><lastmod>2024-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excimer-formation-in-zinc-phthalocyanine-revealed-using-ultrafast-electron-diffraction-2404.18292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excimer-formation-in-zinc-phthalocyanine-revealed-using-ultrafast-electron-diffraction-2404.18292"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-random-phase-approximation-for-diradicals-2404.18691</loc><lastmod>2025-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-random-phase-approximation-for-diradicals-2404.18691"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-random-phase-approximation-for-diradicals-2404.18691"/></url>
<url><loc>https://scifaro.com/en/abs/a-general-framework-for-active-space-embedding-methods-applications-in-quantum-computing-2404.18737</loc><lastmod>2024-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-general-framework-for-active-space-embedding-methods-applications-in-quantum-computing-2404.18737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-general-framework-for-active-space-embedding-methods-applications-in-quantum-computing-2404.18737"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-radicals-via-orbital-parities-2404.18787</loc><lastmod>2024-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-radicals-via-orbital-parities-2404.18787"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-radicals-via-orbital-parities-2404.18787"/></url>
<url><loc>https://scifaro.com/en/abs/high-energy-reaction-dynamics-of-n-3-2404.18877</loc><lastmod>2024-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-energy-reaction-dynamics-of-n-3-2404.18877"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-energy-reaction-dynamics-of-n-3-2404.18877"/></url>
<url><loc>https://scifaro.com/en/abs/scn-as-a-local-probe-of-protein-structural-dynamics-2404.18879</loc><lastmod>2024-04-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scn-as-a-local-probe-of-protein-structural-dynamics-2404.18879"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scn-as-a-local-probe-of-protein-structural-dynamics-2404.18879"/></url>
<url><loc>https://scifaro.com/en/abs/striking-the-right-balance-of-encoding-electron-correlation-in-the-hamiltonian-and-the-wavefunction-ansatz-2404.19172</loc><lastmod>2024-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/striking-the-right-balance-of-encoding-electron-correlation-in-the-hamiltonian-and-the-wavefunction-ansatz-2404.19172"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/striking-the-right-balance-of-encoding-electron-correlation-in-the-hamiltonian-and-the-wavefunction-ansatz-2404.19172"/></url>
<url><loc>https://scifaro.com/en/abs/unveiling-the-effects-of-cu-doping-on-the-h2-activation-by-ceo2-surface-frustrated-lewis-pairs-2404.19280</loc><lastmod>2024-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unveiling-the-effects-of-cu-doping-on-the-h2-activation-by-ceo2-surface-frustrated-lewis-pairs-2404.19280"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unveiling-the-effects-of-cu-doping-on-the-h2-activation-by-ceo2-surface-frustrated-lewis-pairs-2404.19280"/></url>
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<url><loc>https://scifaro.com/en/abs/benchmarking-dft-based-excited-state-methods-for-intermolecular-charge-transfer-excitations-2405.01382</loc><lastmod>2024-05-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-dft-based-excited-state-methods-for-intermolecular-charge-transfer-excitations-2405.01382"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-dft-based-excited-state-methods-for-intermolecular-charge-transfer-excitations-2405.01382"/></url>
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<url><loc>https://scifaro.com/en/abs/basis-set-extrapolation-from-the-vanishing-counterpoise-correction-condition-2405.04658</loc><lastmod>2024-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/basis-set-extrapolation-from-the-vanishing-counterpoise-correction-condition-2405.04658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/basis-set-extrapolation-from-the-vanishing-counterpoise-correction-condition-2405.04658"/></url>
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<url><loc>https://scifaro.com/en/abs/data-error-scaling-laws-in-machine-learning-on-combinatorial-mutation-prone-sets-proteins-and-small-molecules-2405.05167</loc><lastmod>2025-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/data-error-scaling-laws-in-machine-learning-on-combinatorial-mutation-prone-sets-proteins-and-small-molecules-2405.05167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/data-error-scaling-laws-in-machine-learning-on-combinatorial-mutation-prone-sets-proteins-and-small-molecules-2405.05167"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-the-influence-of-n-1-d-subvalence-correlation-and-of-spin-orbit-coupling-on-chalcogen-bonding-2405.05338</loc><lastmod>2025-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-the-influence-of-n-1-d-subvalence-correlation-and-of-spin-orbit-coupling-on-chalcogen-bonding-2405.05338"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-the-influence-of-n-1-d-subvalence-correlation-and-of-spin-orbit-coupling-on-chalcogen-bonding-2405.05338"/></url>
<url><loc>https://scifaro.com/en/abs/measurement-of-coherent-vibrational-dynamics-with-x-ray-transient-absorption-spectroscopy-simultaneously-at-the-carbon-k-and-chlorine-l-2-3-edges-2405.05437</loc><lastmod>2024-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurement-of-coherent-vibrational-dynamics-with-x-ray-transient-absorption-spectroscopy-simultaneously-at-the-carbon-k-and-chlorine-l-2-3-edges-2405.05437"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurement-of-coherent-vibrational-dynamics-with-x-ray-transient-absorption-spectroscopy-simultaneously-at-the-carbon-k-and-chlorine-l-2-3-edges-2405.05437"/></url>
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<url><loc>https://scifaro.com/en/abs/improved-electrochemical-performance-of-nasicon-type-na-3-v-2-x-co-x-po-4-3-c-x-0-0-15-cathode-for-high-rate-and-stable-sodium-ion-batteries-2405.05559</loc><lastmod>2024-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/improved-electrochemical-performance-of-nasicon-type-na-3-v-2-x-co-x-po-4-3-c-x-0-0-15-cathode-for-high-rate-and-stable-sodium-ion-batteries-2405.05559"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/improved-electrochemical-performance-of-nasicon-type-na-3-v-2-x-co-x-po-4-3-c-x-0-0-15-cathode-for-high-rate-and-stable-sodium-ion-batteries-2405.05559"/></url>
<url><loc>https://scifaro.com/en/abs/neural-network-approach-for-predicting-infrared-spectra-from-3d-molecular-structure-2405.05737</loc><lastmod>2024-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-network-approach-for-predicting-infrared-spectra-from-3d-molecular-structure-2405.05737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-network-approach-for-predicting-infrared-spectra-from-3d-molecular-structure-2405.05737"/></url>
<url><loc>https://scifaro.com/en/abs/spin-parameter-optimization-for-spin-polarized-extended-tight-binding-methods-2405.05761</loc><lastmod>2024-05-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-parameter-optimization-for-spin-polarized-extended-tight-binding-methods-2405.05761"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-parameter-optimization-for-spin-polarized-extended-tight-binding-methods-2405.05761"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-mechanical-dataset-of-836k-neutral-closed-shell-molecules-with-upto-5-heavy-atoms-from-cnofsipsclbr-2405.05961</loc><lastmod>2025-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-mechanical-dataset-of-836k-neutral-closed-shell-molecules-with-upto-5-heavy-atoms-from-cnofsipsclbr-2405.05961"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-mechanical-dataset-of-836k-neutral-closed-shell-molecules-with-upto-5-heavy-atoms-from-cnofsipsclbr-2405.05961"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-quantum-effects-on-the-electronic-structure-of-water-and-ice-2405.06207</loc><lastmod>2024-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-quantum-effects-on-the-electronic-structure-of-water-and-ice-2405.06207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-quantum-effects-on-the-electronic-structure-of-water-and-ice-2405.06207"/></url>
<url><loc>https://scifaro.com/en/abs/controlled-molecule-injector-for-cold-dense-and-pure-molecular-beams-at-the-european-x-ray-free-electron-laser-2405.06344</loc><lastmod>2024-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/controlled-molecule-injector-for-cold-dense-and-pure-molecular-beams-at-the-european-x-ray-free-electron-laser-2405.06344"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/controlled-molecule-injector-for-cold-dense-and-pure-molecular-beams-at-the-european-x-ray-free-electron-laser-2405.06344"/></url>
<url><loc>https://scifaro.com/en/abs/unimolecular-processes-in-diatomic-carbon-anions-at-high-rotational-excitation-2405.06493</loc><lastmod>2024-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unimolecular-processes-in-diatomic-carbon-anions-at-high-rotational-excitation-2405.06493"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unimolecular-processes-in-diatomic-carbon-anions-at-high-rotational-excitation-2405.06493"/></url>
<url><loc>https://scifaro.com/en/abs/autodetachment-of-diatomic-carbon-anions-from-long-lived-high-rotation-quartet-states-2405.06514</loc><lastmod>2024-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/autodetachment-of-diatomic-carbon-anions-from-long-lived-high-rotation-quartet-states-2405.06514"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/autodetachment-of-diatomic-carbon-anions-from-long-lived-high-rotation-quartet-states-2405.06514"/></url>
<url><loc>https://scifaro.com/en/abs/combining-hammett-sigma-constants-for-delta-machine-learning-and-catalyst-discovery-2405.07747</loc><lastmod>2025-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-hammett-sigma-constants-for-delta-machine-learning-and-catalyst-discovery-2405.07747"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-hammett-sigma-constants-for-delta-machine-learning-and-catalyst-discovery-2405.07747"/></url>
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<url><loc>https://scifaro.com/en/abs/generalized-quantum-master-equations-can-improve-the-accuracy-of-semiclassical-predictions-of-multitime-correlation-functions-2405.08983</loc><lastmod>2024-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-quantum-master-equations-can-improve-the-accuracy-of-semiclassical-predictions-of-multitime-correlation-functions-2405.08983"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-quantum-master-equations-can-improve-the-accuracy-of-semiclassical-predictions-of-multitime-correlation-functions-2405.08983"/></url>
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<url><loc>https://scifaro.com/en/abs/quantum-delocalization-structural-order-and-density-response-of-the-strongly-coupled-electron-liquid-2405.11503</loc><lastmod>2024-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-delocalization-structural-order-and-density-response-of-the-strongly-coupled-electron-liquid-2405.11503"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-delocalization-structural-order-and-density-response-of-the-strongly-coupled-electron-liquid-2405.11503"/></url>
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<url><loc>https://scifaro.com/en/abs/shortcut-to-chemically-accurate-quantum-computing-via-density-based-basis-set-correction-2405.11567</loc><lastmod>2024-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/shortcut-to-chemically-accurate-quantum-computing-via-density-based-basis-set-correction-2405.11567"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/shortcut-to-chemically-accurate-quantum-computing-via-density-based-basis-set-correction-2405.11567"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-intermolecular-interactions-mediate-thermochemically-real-fluid-effects-that-affect-system-reactivity-2405.11710</loc><lastmod>2024-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-intermolecular-interactions-mediate-thermochemically-real-fluid-effects-that-affect-system-reactivity-2405.11710"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-intermolecular-interactions-mediate-thermochemically-real-fluid-effects-that-affect-system-reactivity-2405.11710"/></url>
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<url><loc>https://scifaro.com/en/abs/quantum-dynamics-evolution-predicted-by-the-long-short-term-memory-network-in-the-photosystem-ii-reaction-center-2405.12232</loc><lastmod>2025-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamics-evolution-predicted-by-the-long-short-term-memory-network-in-the-photosystem-ii-reaction-center-2405.12232"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamics-evolution-predicted-by-the-long-short-term-memory-network-in-the-photosystem-ii-reaction-center-2405.12232"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-ground-and-excited-states-via-single-reference-coupled-cluster-theory-and-algebraic-geometry-2405.12238</loc><lastmod>2024-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-ground-and-excited-states-via-single-reference-coupled-cluster-theory-and-algebraic-geometry-2405.12238"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-ground-and-excited-states-via-single-reference-coupled-cluster-theory-and-algebraic-geometry-2405.12238"/></url>
<url><loc>https://scifaro.com/en/abs/gw-with-hybrid-functionals-for-large-molecular-systems-2405.12306</loc><lastmod>2025-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gw-with-hybrid-functionals-for-large-molecular-systems-2405.12306"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gw-with-hybrid-functionals-for-large-molecular-systems-2405.12306"/></url>
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<url><loc>https://scifaro.com/en/abs/a-modified-expression-for-the-hamiltonian-expectation-value-exploiting-the-short-range-behavior-of-the-wave-function-2405.12618</loc><lastmod>2024-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-modified-expression-for-the-hamiltonian-expectation-value-exploiting-the-short-range-behavior-of-the-wave-function-2405.12618"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-modified-expression-for-the-hamiltonian-expectation-value-exploiting-the-short-range-behavior-of-the-wave-function-2405.12618"/></url>
<url><loc>https://scifaro.com/en/abs/more-than-just-smoke-and-mirrors-gas-phase-polaritons-for-optical-control-of-chemistry-2405.12772</loc><lastmod>2024-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/more-than-just-smoke-and-mirrors-gas-phase-polaritons-for-optical-control-of-chemistry-2405.12772"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/more-than-just-smoke-and-mirrors-gas-phase-polaritons-for-optical-control-of-chemistry-2405.12772"/></url>
<url><loc>https://scifaro.com/en/abs/anisotropy-factor-spectra-for-weakly-allowed-electronic-transitions-in-chiral-ketones-2405.12893</loc><lastmod>2024-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anisotropy-factor-spectra-for-weakly-allowed-electronic-transitions-in-chiral-ketones-2405.12893"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anisotropy-factor-spectra-for-weakly-allowed-electronic-transitions-in-chiral-ketones-2405.12893"/></url>
<url><loc>https://scifaro.com/en/abs/mechanistic-insights-into-non-adiabatic-interband-transitions-on-a-semiconductor-surface-induced-by-hydrogen-atom-collisions-2405.13361</loc><lastmod>2024-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mechanistic-insights-into-non-adiabatic-interband-transitions-on-a-semiconductor-surface-induced-by-hydrogen-atom-collisions-2405.13361"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mechanistic-insights-into-non-adiabatic-interband-transitions-on-a-semiconductor-surface-induced-by-hydrogen-atom-collisions-2405.13361"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-einstein-relations-between-absorption-and-emission-spectra-at-thermodynamic-equilibrium-2405.13742</loc><lastmod>2024-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-einstein-relations-between-absorption-and-emission-spectra-at-thermodynamic-equilibrium-2405.13742"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-einstein-relations-between-absorption-and-emission-spectra-at-thermodynamic-equilibrium-2405.13742"/></url>
<url><loc>https://scifaro.com/en/abs/ballistic-energy-transport-via-long-alkyl-chains-a-new-initiation-mechanism-2405.13776</loc><lastmod>2024-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ballistic-energy-transport-via-long-alkyl-chains-a-new-initiation-mechanism-2405.13776"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ballistic-energy-transport-via-long-alkyl-chains-a-new-initiation-mechanism-2405.13776"/></url>
<url><loc>https://scifaro.com/en/abs/bifunctional-noble-metal-free-ternary-chalcogenide-electrocatalysts-for-overall-water-splitting-2405.14187</loc><lastmod>2024-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bifunctional-noble-metal-free-ternary-chalcogenide-electrocatalysts-for-overall-water-splitting-2405.14187"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bifunctional-noble-metal-free-ternary-chalcogenide-electrocatalysts-for-overall-water-splitting-2405.14187"/></url>
<url><loc>https://scifaro.com/en/abs/assessment-of-s-in-the-orange-carotenoid-protein-2405.14579</loc><lastmod>2026-04-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessment-of-s-in-the-orange-carotenoid-protein-2405.14579"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessment-of-s-in-the-orange-carotenoid-protein-2405.14579"/></url>
<url><loc>https://scifaro.com/en/abs/accelerated-first-principles-exploration-of-structure-and-reactivity-in-graphene-oxide-2405.14814</loc><lastmod>2024-05-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerated-first-principles-exploration-of-structure-and-reactivity-in-graphene-oxide-2405.14814"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerated-first-principles-exploration-of-structure-and-reactivity-in-graphene-oxide-2405.14814"/></url>
<url><loc>https://scifaro.com/en/abs/i-pi-3-0-a-flexible-and-efficient-framework-for-advanced-atomistic-simulations-2405.15224</loc><lastmod>2024-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/i-pi-3-0-a-flexible-and-efficient-framework-for-advanced-atomistic-simulations-2405.15224"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/i-pi-3-0-a-flexible-and-efficient-framework-for-advanced-atomistic-simulations-2405.15224"/></url>
<url><loc>https://scifaro.com/en/abs/x-ray-coulomb-explosion-imaging-reveals-role-of-molecular-structure-in-internal-conversion-2405.15367</loc><lastmod>2024-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/x-ray-coulomb-explosion-imaging-reveals-role-of-molecular-structure-in-internal-conversion-2405.15367"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/x-ray-coulomb-explosion-imaging-reveals-role-of-molecular-structure-in-internal-conversion-2405.15367"/></url>
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<url><loc>https://scifaro.com/en/abs/fine-tuning-of-the-rotational-rate-of-light-driven-second-generation-molecular-motors-by-fluorine-substitutions-2405.18345</loc><lastmod>2025-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fine-tuning-of-the-rotational-rate-of-light-driven-second-generation-molecular-motors-by-fluorine-substitutions-2405.18345"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fine-tuning-of-the-rotational-rate-of-light-driven-second-generation-molecular-motors-by-fluorine-substitutions-2405.18345"/></url>
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<url><loc>https://scifaro.com/en/abs/bridging-electronic-and-classical-density-functional-theory-using-universal-machine-learned-functional-approximations-2405.20270</loc><lastmod>2024-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bridging-electronic-and-classical-density-functional-theory-using-universal-machine-learned-functional-approximations-2405.20270"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bridging-electronic-and-classical-density-functional-theory-using-universal-machine-learned-functional-approximations-2405.20270"/></url>
<url><loc>https://scifaro.com/en/abs/solving-multi-pole-challenges-in-the-gw100-benchmark-enables-precise-low-scaling-gw-calculations-2405.20473</loc><lastmod>2024-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solving-multi-pole-challenges-in-the-gw100-benchmark-enables-precise-low-scaling-gw-calculations-2405.20473"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solving-multi-pole-challenges-in-the-gw100-benchmark-enables-precise-low-scaling-gw-calculations-2405.20473"/></url>
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<url><loc>https://scifaro.com/en/abs/semiclassical-dynamics-in-wigner-phase-space-ii-nonadiabatic-hybrid-wigner-dynamics-2405.20499</loc><lastmod>2024-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-dynamics-in-wigner-phase-space-ii-nonadiabatic-hybrid-wigner-dynamics-2405.20499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-dynamics-in-wigner-phase-space-ii-nonadiabatic-hybrid-wigner-dynamics-2405.20499"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-epr-pulses-for-broadband-excitation-and-refocusing-2405.20943</loc><lastmod>2025-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-epr-pulses-for-broadband-excitation-and-refocusing-2405.20943"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-epr-pulses-for-broadband-excitation-and-refocusing-2405.20943"/></url>
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<url><loc>https://scifaro.com/en/abs/quantum-molecular-charge-transfer-model-for-multi-step-auger-meitner-decay-cascade-dynamics-2406.00201</loc><lastmod>2024-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-molecular-charge-transfer-model-for-multi-step-auger-meitner-decay-cascade-dynamics-2406.00201"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-molecular-charge-transfer-model-for-multi-step-auger-meitner-decay-cascade-dynamics-2406.00201"/></url>
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<url><loc>https://scifaro.com/en/abs/synask-unleashing-the-power-of-large-language-models-in-organic-synthesis-2406.04593</loc><lastmod>2024-06-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synask-unleashing-the-power-of-large-language-models-in-organic-synthesis-2406.04593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synask-unleashing-the-power-of-large-language-models-in-organic-synthesis-2406.04593"/></url>
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<url><loc>https://scifaro.com/en/abs/photoemission-spectroscopy-on-photoresist-materials-a-protocol-for-analysis-of-radiation-sensitive-materials-2406.05148</loc><lastmod>2024-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoemission-spectroscopy-on-photoresist-materials-a-protocol-for-analysis-of-radiation-sensitive-materials-2406.05148"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoemission-spectroscopy-on-photoresist-materials-a-protocol-for-analysis-of-radiation-sensitive-materials-2406.05148"/></url>
<url><loc>https://scifaro.com/en/abs/simulation-of-vibrational-circular-dichroism-spectra-using-second-order-m-o-ller-plesset-perturbation-theory-and-configuration-interaction-doubles-2406.05196</loc><lastmod>2024-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulation-of-vibrational-circular-dichroism-spectra-using-second-order-m-o-ller-plesset-perturbation-theory-and-configuration-interaction-doubles-2406.05196"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulation-of-vibrational-circular-dichroism-spectra-using-second-order-m-o-ller-plesset-perturbation-theory-and-configuration-interaction-doubles-2406.05196"/></url>
<url><loc>https://scifaro.com/en/abs/bound-state-relativistic-quantum-electrodynamics-a-perspective-for-precision-physics-with-atoms-and-molecules-2406.05228</loc><lastmod>2024-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bound-state-relativistic-quantum-electrodynamics-a-perspective-for-precision-physics-with-atoms-and-molecules-2406.05228"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bound-state-relativistic-quantum-electrodynamics-a-perspective-for-precision-physics-with-atoms-and-molecules-2406.05228"/></url>
<url><loc>https://scifaro.com/en/abs/two-stage-decoherence-of-optical-phonons-in-long-oligomers-2406.05541</loc><lastmod>2024-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-stage-decoherence-of-optical-phonons-in-long-oligomers-2406.05541"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-stage-decoherence-of-optical-phonons-in-long-oligomers-2406.05541"/></url>
<url><loc>https://scifaro.com/en/abs/analytic-gradients-for-equation-of-motion-coupled-cluster-with-single-double-and-perturbative-triple-excitations-2406.05595</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytic-gradients-for-equation-of-motion-coupled-cluster-with-single-double-and-perturbative-triple-excitations-2406.05595"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytic-gradients-for-equation-of-motion-coupled-cluster-with-single-double-and-perturbative-triple-excitations-2406.05595"/></url>
<url><loc>https://scifaro.com/en/abs/quantifying-dissipation-in-stochastic-complex-oscillations-2406.06019</loc><lastmod>2024-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantifying-dissipation-in-stochastic-complex-oscillations-2406.06019"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantifying-dissipation-in-stochastic-complex-oscillations-2406.06019"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-prediction-of-core-level-binding-energies-from-ground-state-density-functional-calculations-the-importance-of-localization-and-screening-2406.06345</loc><lastmod>2024-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-prediction-of-core-level-binding-energies-from-ground-state-density-functional-calculations-the-importance-of-localization-and-screening-2406.06345"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-prediction-of-core-level-binding-energies-from-ground-state-density-functional-calculations-the-importance-of-localization-and-screening-2406.06345"/></url>
<url><loc>https://scifaro.com/en/abs/half-heusler-alloy-covsn-as-self-supported-electrocatalyst-for-hydrogen-evolution-reaction-2406.06981</loc><lastmod>2024-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/half-heusler-alloy-covsn-as-self-supported-electrocatalyst-for-hydrogen-evolution-reaction-2406.06981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/half-heusler-alloy-covsn-as-self-supported-electrocatalyst-for-hydrogen-evolution-reaction-2406.06981"/></url>
<url><loc>https://scifaro.com/en/abs/anomalous-propagators-and-the-particle-particle-channel-hedin-s-equations-2406.07062</loc><lastmod>2025-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anomalous-propagators-and-the-particle-particle-channel-hedin-s-equations-2406.07062"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anomalous-propagators-and-the-particle-particle-channel-hedin-s-equations-2406.07062"/></url>
<url><loc>https://scifaro.com/en/abs/one-particle-operator-representation-over-two-particle-basis-sets-for-relativistic-qed-computations-2406.07086</loc><lastmod>2024-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/one-particle-operator-representation-over-two-particle-basis-sets-for-relativistic-qed-computations-2406.07086"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/one-particle-operator-representation-over-two-particle-basis-sets-for-relativistic-qed-computations-2406.07086"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-spectroscopy-of-phosphaalkynes-millimeter-and-submillimeter-wave-study-of-c2h5cp-2406.07127</loc><lastmod>2024-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-spectroscopy-of-phosphaalkynes-millimeter-and-submillimeter-wave-study-of-c2h5cp-2406.07127"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-spectroscopy-of-phosphaalkynes-millimeter-and-submillimeter-wave-study-of-c2h5cp-2406.07127"/></url>
<url><loc>https://scifaro.com/en/abs/from-many-body-ab-initio-to-effective-excitonic-models-a-versatile-mapping-approach-including-environmental-embedding-effects-2406.07143</loc><lastmod>2024-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/from-many-body-ab-initio-to-effective-excitonic-models-a-versatile-mapping-approach-including-environmental-embedding-effects-2406.07143"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/from-many-body-ab-initio-to-effective-excitonic-models-a-versatile-mapping-approach-including-environmental-embedding-effects-2406.07143"/></url>
<url><loc>https://scifaro.com/en/abs/targeting-spectroscopic-accuracy-for-dispersion-bound-systems-from-ab-initio-techniques-translational-eigenstates-of-ne-c-70-2406.07343</loc><lastmod>2024-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/targeting-spectroscopic-accuracy-for-dispersion-bound-systems-from-ab-initio-techniques-translational-eigenstates-of-ne-c-70-2406.07343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/targeting-spectroscopic-accuracy-for-dispersion-bound-systems-from-ab-initio-techniques-translational-eigenstates-of-ne-c-70-2406.07343"/></url>
<url><loc>https://scifaro.com/en/abs/role-of-kinetic-exchange-and-coulomb-interaction-in-bonding-of-hydrogen-molecular-systems-and-excited-states-2406.07729</loc><lastmod>2024-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/role-of-kinetic-exchange-and-coulomb-interaction-in-bonding-of-hydrogen-molecular-systems-and-excited-states-2406.07729"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/role-of-kinetic-exchange-and-coulomb-interaction-in-bonding-of-hydrogen-molecular-systems-and-excited-states-2406.07729"/></url>
<url><loc>https://scifaro.com/en/abs/making-peace-with-random-phases-ab-initio-conical-intersection-dynamics-in-random-gauges-2406.07945</loc><lastmod>2024-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/making-peace-with-random-phases-ab-initio-conical-intersection-dynamics-in-random-gauges-2406.07945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/making-peace-with-random-phases-ab-initio-conical-intersection-dynamics-in-random-gauges-2406.07945"/></url>
<url><loc>https://scifaro.com/en/abs/dispersion-interaction-between-thin-conducting-cylinders-2406.08047</loc><lastmod>2025-11-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dispersion-interaction-between-thin-conducting-cylinders-2406.08047"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dispersion-interaction-between-thin-conducting-cylinders-2406.08047"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-evaluation-of-ground-state-gradients-in-quantum-electrodynamics-coupled-cluster-theory-2406.08107</loc><lastmod>2024-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-evaluation-of-ground-state-gradients-in-quantum-electrodynamics-coupled-cluster-theory-2406.08107"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-evaluation-of-ground-state-gradients-in-quantum-electrodynamics-coupled-cluster-theory-2406.08107"/></url>
<url><loc>https://scifaro.com/en/abs/a-neural-network-based-selective-configuration-interaction-approach-to-molecular-electronic-structure-2406.08154</loc><lastmod>2025-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-neural-network-based-selective-configuration-interaction-approach-to-molecular-electronic-structure-2406.08154"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-neural-network-based-selective-configuration-interaction-approach-to-molecular-electronic-structure-2406.08154"/></url>
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<url><loc>https://scifaro.com/en/abs/gpu-accelerated-auxiliary-field-quantum-monte-carlo-with-multi-slater-determinant-trial-states-2406.08314</loc><lastmod>2024-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gpu-accelerated-auxiliary-field-quantum-monte-carlo-with-multi-slater-determinant-trial-states-2406.08314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gpu-accelerated-auxiliary-field-quantum-monte-carlo-with-multi-slater-determinant-trial-states-2406.08314"/></url>
<url><loc>https://scifaro.com/en/abs/observation-of-sequential-three-body-dissociation-of-camphor-molecule-a-native-frame-approach-2406.08502</loc><lastmod>2024-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/observation-of-sequential-three-body-dissociation-of-camphor-molecule-a-native-frame-approach-2406.08502"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/observation-of-sequential-three-body-dissociation-of-camphor-molecule-a-native-frame-approach-2406.08502"/></url>
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<url><loc>https://scifaro.com/en/abs/error-control-and-automatic-detection-of-reference-active-spaces-in-many-body-expanded-full-configuration-interaction-2406.11343</loc><lastmod>2024-06-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/error-control-and-automatic-detection-of-reference-active-spaces-in-many-body-expanded-full-configuration-interaction-2406.11343"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/error-control-and-automatic-detection-of-reference-active-spaces-in-many-body-expanded-full-configuration-interaction-2406.11343"/></url>
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<url><loc>https://scifaro.com/en/abs/using-the-haken-strobl-reineker-model-to-determine-the-temperature-dependence-of-the-diffusion-coefficient-2406.12750</loc><lastmod>2024-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-the-haken-strobl-reineker-model-to-determine-the-temperature-dependence-of-the-diffusion-coefficient-2406.12750"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-the-haken-strobl-reineker-model-to-determine-the-temperature-dependence-of-the-diffusion-coefficient-2406.12750"/></url>
<url><loc>https://scifaro.com/en/abs/synthesis-and-characterization-of-nicomn-mofs-for-wastewater-treatment-2406.12892</loc><lastmod>2024-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/synthesis-and-characterization-of-nicomn-mofs-for-wastewater-treatment-2406.12892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/synthesis-and-characterization-of-nicomn-mofs-for-wastewater-treatment-2406.12892"/></url>
<url><loc>https://scifaro.com/en/abs/nutmeg-and-spice-models-and-data-for-biomolecular-machine-learning-2406.13112</loc><lastmod>2024-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nutmeg-and-spice-models-and-data-for-biomolecular-machine-learning-2406.13112"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nutmeg-and-spice-models-and-data-for-biomolecular-machine-learning-2406.13112"/></url>
<url><loc>https://scifaro.com/en/abs/towards-the-optimization-of-a-perovskite-based-room-temperature-ozone-sensor-a-multifaceted-approach-in-pursuit-of-sensitivity-stability-and-understanding-of-mechanism-2406.13610</loc><lastmod>2026-02-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-the-optimization-of-a-perovskite-based-room-temperature-ozone-sensor-a-multifaceted-approach-in-pursuit-of-sensitivity-stability-and-understanding-of-mechanism-2406.13610"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-the-optimization-of-a-perovskite-based-room-temperature-ozone-sensor-a-multifaceted-approach-in-pursuit-of-sensitivity-stability-and-understanding-of-mechanism-2406.13610"/></url>
<url><loc>https://scifaro.com/en/abs/delving-into-the-catalytic-mechanism-of-molybdenum-cofactors-a-novel-coupled-cluster-study-2406.14037</loc><lastmod>2024-06-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/delving-into-the-catalytic-mechanism-of-molybdenum-cofactors-a-novel-coupled-cluster-study-2406.14037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/delving-into-the-catalytic-mechanism-of-molybdenum-cofactors-a-novel-coupled-cluster-study-2406.14037"/></url>
<url><loc>https://scifaro.com/en/abs/qemfi-a-multifidelity-dataset-of-quantum-chemical-properties-of-diverse-molecules-2406.14149</loc><lastmod>2024-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/qemfi-a-multifidelity-dataset-of-quantum-chemical-properties-of-diverse-molecules-2406.14149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/qemfi-a-multifidelity-dataset-of-quantum-chemical-properties-of-diverse-molecules-2406.14149"/></url>
<url><loc>https://scifaro.com/en/abs/nabla-2-dft-a-universal-quantum-chemistry-dataset-of-drug-like-molecules-and-a-benchmark-for-neural-network-potentials-2406.14347</loc><lastmod>2024-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nabla-2-dft-a-universal-quantum-chemistry-dataset-of-drug-like-molecules-and-a-benchmark-for-neural-network-potentials-2406.14347"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nabla-2-dft-a-universal-quantum-chemistry-dataset-of-drug-like-molecules-and-a-benchmark-for-neural-network-potentials-2406.14347"/></url>
<url><loc>https://scifaro.com/en/abs/exploring-electron-affinities-lumo-energies-and-band-gaps-with-electron-pair-theories-2406.14716</loc><lastmod>2024-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploring-electron-affinities-lumo-energies-and-band-gaps-with-electron-pair-theories-2406.14716"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploring-electron-affinities-lumo-energies-and-band-gaps-with-electron-pair-theories-2406.14716"/></url>
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<url><loc>https://scifaro.com/en/abs/o-acetylated-sugars-in-the-gas-phase-stability-migration-positional-isomers-and-conformation-2406.14937</loc><lastmod>2024-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/o-acetylated-sugars-in-the-gas-phase-stability-migration-positional-isomers-and-conformation-2406.14937"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/o-acetylated-sugars-in-the-gas-phase-stability-migration-positional-isomers-and-conformation-2406.14937"/></url>
<url><loc>https://scifaro.com/en/abs/rapid-irmpd-analysis-for-glycomics-2406.14940</loc><lastmod>2024-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rapid-irmpd-analysis-for-glycomics-2406.14940"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rapid-irmpd-analysis-for-glycomics-2406.14940"/></url>
<url><loc>https://scifaro.com/en/abs/phase-field-simulations-opening-new-horizons-in-corrosion-research-2406.15013</loc><lastmod>2024-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-field-simulations-opening-new-horizons-in-corrosion-research-2406.15013"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-field-simulations-opening-new-horizons-in-corrosion-research-2406.15013"/></url>
<url><loc>https://scifaro.com/en/abs/towards-polaritonic-molecular-orbitals-for-large-molecular-systems-2406.15052</loc><lastmod>2024-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-polaritonic-molecular-orbitals-for-large-molecular-systems-2406.15052"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-polaritonic-molecular-orbitals-for-large-molecular-systems-2406.15052"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-response-of-ionic-current-in-conical-nanopores-2406.15054</loc><lastmod>2024-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-response-of-ionic-current-in-conical-nanopores-2406.15054"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-response-of-ionic-current-in-conical-nanopores-2406.15054"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-fly-simulation-of-two-dimensional-fluorescence-excitation-spectra-2406.15262</loc><lastmod>2024-06-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-fly-simulation-of-two-dimensional-fluorescence-excitation-spectra-2406.15262"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-fly-simulation-of-two-dimensional-fluorescence-excitation-spectra-2406.15262"/></url>
<url><loc>https://scifaro.com/en/abs/catalysis-in-extreme-field-environments-the-case-of-strongly-ionized-sio-2-nanoparticle-surfaces-2406.15602</loc><lastmod>2024-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/catalysis-in-extreme-field-environments-the-case-of-strongly-ionized-sio-2-nanoparticle-surfaces-2406.15602"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/catalysis-in-extreme-field-environments-the-case-of-strongly-ionized-sio-2-nanoparticle-surfaces-2406.15602"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-functions-from-tensor-network-influence-functionals-the-case-of-the-spin-boson-model-2406.15737</loc><lastmod>2025-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-functions-from-tensor-network-influence-functionals-the-case-of-the-spin-boson-model-2406.15737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-functions-from-tensor-network-influence-functionals-the-case-of-the-spin-boson-model-2406.15737"/></url>
<url><loc>https://scifaro.com/en/abs/completely-multipolar-model-as-a-general-framework-for-many-body-interactions-as-illustrated-for-water-2406.15944</loc><lastmod>2024-06-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/completely-multipolar-model-as-a-general-framework-for-many-body-interactions-as-illustrated-for-water-2406.15944"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/completely-multipolar-model-as-a-general-framework-for-many-body-interactions-as-illustrated-for-water-2406.15944"/></url>
<url><loc>https://scifaro.com/en/abs/determining-the-dielectric-constant-of-solid-liquid-interfaces-2406.15964</loc><lastmod>2024-06-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determining-the-dielectric-constant-of-solid-liquid-interfaces-2406.15964"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determining-the-dielectric-constant-of-solid-liquid-interfaces-2406.15964"/></url>
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<url><loc>https://scifaro.com/en/abs/alchemical-insights-into-approximately-quadratic-energies-of-iso-electronic-atoms-2406.18416</loc><lastmod>2024-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alchemical-insights-into-approximately-quadratic-energies-of-iso-electronic-atoms-2406.18416"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alchemical-insights-into-approximately-quadratic-energies-of-iso-electronic-atoms-2406.18416"/></url>
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<url><loc>https://scifaro.com/en/abs/evolution-of-interfacial-hydration-structure-induced-by-ion-condensation-and-correlation-effects-2406.18827</loc><lastmod>2024-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/evolution-of-interfacial-hydration-structure-induced-by-ion-condensation-and-correlation-effects-2406.18827"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/evolution-of-interfacial-hydration-structure-induced-by-ion-condensation-and-correlation-effects-2406.18827"/></url>
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<url><loc>https://scifaro.com/en/abs/numerical-analysis-of-the-complete-active-space-extended-koopmans-s-theorem-2406.19211</loc><lastmod>2024-06-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-analysis-of-the-complete-active-space-extended-koopmans-s-theorem-2406.19211"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-analysis-of-the-complete-active-space-extended-koopmans-s-theorem-2406.19211"/></url>
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<url><loc>https://scifaro.com/en/abs/charge-transport-in-organic-semiconductors-from-the-mapping-approach-to-surface-hopping-2406.19851</loc><lastmod>2024-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transport-in-organic-semiconductors-from-the-mapping-approach-to-surface-hopping-2406.19851"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transport-in-organic-semiconductors-from-the-mapping-approach-to-surface-hopping-2406.19851"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-meets-mass-spectrometry-a-focused-perspective-2407.00117</loc><lastmod>2024-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-meets-mass-spectrometry-a-focused-perspective-2407.00117"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-meets-mass-spectrometry-a-focused-perspective-2407.00117"/></url>
<url><loc>https://scifaro.com/en/abs/direct-observation-of-morphological-and-chemical-changes-during-the-oxidation-of-model-inorganic-ligand-capped-particles-2407.00598</loc><lastmod>2024-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-observation-of-morphological-and-chemical-changes-during-the-oxidation-of-model-inorganic-ligand-capped-particles-2407.00598"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-observation-of-morphological-and-chemical-changes-during-the-oxidation-of-model-inorganic-ligand-capped-particles-2407.00598"/></url>
<url><loc>https://scifaro.com/en/abs/cholesky-decomposition-in-spin-free-dirac-coulomb-coupled-cluster-calculations-2407.00663</loc><lastmod>2024-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cholesky-decomposition-in-spin-free-dirac-coulomb-coupled-cluster-calculations-2407.00663"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cholesky-decomposition-in-spin-free-dirac-coulomb-coupled-cluster-calculations-2407.00663"/></url>
<url><loc>https://scifaro.com/en/abs/deep-learning-quantum-monte-carlo-for-solids-2407.00707</loc><lastmod>2025-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deep-learning-quantum-monte-carlo-for-solids-2407.00707"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deep-learning-quantum-monte-carlo-for-solids-2407.00707"/></url>
<url><loc>https://scifaro.com/en/abs/diagrams-and-symmetry-in-polaritonic-coupled-cluster-theory-2407.00757</loc><lastmod>2024-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diagrams-and-symmetry-in-polaritonic-coupled-cluster-theory-2407.00757"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diagrams-and-symmetry-in-polaritonic-coupled-cluster-theory-2407.00757"/></url>
<url><loc>https://scifaro.com/en/abs/direct-measurement-of-the-critical-cooling-rate-for-the-vitrification-of-water-2407.01087</loc><lastmod>2024-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-measurement-of-the-critical-cooling-rate-for-the-vitrification-of-water-2407.01087"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-measurement-of-the-critical-cooling-rate-for-the-vitrification-of-water-2407.01087"/></url>
<url><loc>https://scifaro.com/en/abs/millimeter-millimeter-wave-double-modulation-double-resonance-spectroscopy-2407.01297</loc><lastmod>2024-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/millimeter-millimeter-wave-double-modulation-double-resonance-spectroscopy-2407.01297"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/millimeter-millimeter-wave-double-modulation-double-resonance-spectroscopy-2407.01297"/></url>
<url><loc>https://scifaro.com/en/abs/extending-non-adiabatic-rate-theory-to-strong-electronic-couplings-in-the-marcus-inverted-regime-2407.01323</loc><lastmod>2024-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extending-non-adiabatic-rate-theory-to-strong-electronic-couplings-in-the-marcus-inverted-regime-2407.01323"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extending-non-adiabatic-rate-theory-to-strong-electronic-couplings-in-the-marcus-inverted-regime-2407.01323"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-electronic-excited-states-in-the-spin-lattice-relaxation-of-spin-1-2-molecules-2407.01380</loc><lastmod>2024-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-electronic-excited-states-in-the-spin-lattice-relaxation-of-spin-1-2-molecules-2407.01380"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-electronic-excited-states-in-the-spin-lattice-relaxation-of-spin-1-2-molecules-2407.01380"/></url>
<url><loc>https://scifaro.com/en/abs/polaritonic-chemistry-using-the-density-matrix-renormalization-group-method-2407.01381</loc><lastmod>2024-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polaritonic-chemistry-using-the-density-matrix-renormalization-group-method-2407.01381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polaritonic-chemistry-using-the-density-matrix-renormalization-group-method-2407.01381"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-discrepancies-of-wavefunction-theories-for-large-molecules-2407.01442</loc><lastmod>2025-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-discrepancies-of-wavefunction-theories-for-large-molecules-2407.01442"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-discrepancies-of-wavefunction-theories-for-large-molecules-2407.01442"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-models-for-atom-diatom-reactions-across-isotopologues-2407.01485</loc><lastmod>2024-07-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-models-for-atom-diatom-reactions-across-isotopologues-2407.01485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-models-for-atom-diatom-reactions-across-isotopologues-2407.01485"/></url>
<url><loc>https://scifaro.com/en/abs/suitability-of-available-interatomic-potentials-for-sn-to-model-its-2d-allotropes-2407.01592</loc><lastmod>2025-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/suitability-of-available-interatomic-potentials-for-sn-to-model-its-2d-allotropes-2407.01592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/suitability-of-available-interatomic-potentials-for-sn-to-model-its-2d-allotropes-2407.01592"/></url>
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<url><loc>https://scifaro.com/en/abs/dissociative-recombination-of-cf-2407.01600</loc><lastmod>2025-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissociative-recombination-of-cf-2407.01600"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissociative-recombination-of-cf-2407.01600"/></url>
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<url><loc>https://scifaro.com/en/abs/time-dependent-density-functional-theory-simulation-for-analyzing-neutralization-process-of-hydrogen-ion-injected-onto-tungsten-surfaces-2407.02849</loc><lastmod>2024-07-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-dependent-density-functional-theory-simulation-for-analyzing-neutralization-process-of-hydrogen-ion-injected-onto-tungsten-surfaces-2407.02849"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-dependent-density-functional-theory-simulation-for-analyzing-neutralization-process-of-hydrogen-ion-injected-onto-tungsten-surfaces-2407.02849"/></url>
<url><loc>https://scifaro.com/en/abs/2500-vibronic-eigenstates-of-the-no-3-radical-2407.03398</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/2500-vibronic-eigenstates-of-the-no-3-radical-2407.03398"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/2500-vibronic-eigenstates-of-the-no-3-radical-2407.03398"/></url>
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<url><loc>https://scifaro.com/en/abs/selected-configuration-interaction-for-resonances-2407.08576</loc><lastmod>2025-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selected-configuration-interaction-for-resonances-2407.08576"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selected-configuration-interaction-for-resonances-2407.08576"/></url>
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<url><loc>https://scifaro.com/en/abs/an-ultimate-coupled-cluster-method-based-entirely-on-t-2-2407.08685</loc><lastmod>2024-07-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-ultimate-coupled-cluster-method-based-entirely-on-t-2-2407.08685"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-ultimate-coupled-cluster-method-based-entirely-on-t-2-2407.08685"/></url>
<url><loc>https://scifaro.com/en/abs/best-iterative-coupled-cluster-triples-model-more-evidence-for-3cc-2407.08859</loc><lastmod>2025-10-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/best-iterative-coupled-cluster-triples-model-more-evidence-for-3cc-2407.08859"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/best-iterative-coupled-cluster-triples-model-more-evidence-for-3cc-2407.08859"/></url>
<url><loc>https://scifaro.com/en/abs/reference-cc3-excitation-energies-for-organic-chromophores-benchmarking-td-dft-bse-gw-and-wave-function-methods-2407.09060</loc><lastmod>2025-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reference-cc3-excitation-energies-for-organic-chromophores-benchmarking-td-dft-bse-gw-and-wave-function-methods-2407.09060"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reference-cc3-excitation-energies-for-organic-chromophores-benchmarking-td-dft-bse-gw-and-wave-function-methods-2407.09060"/></url>
<url><loc>https://scifaro.com/en/abs/long-range-configuration-interaction-with-an-ab-initio-short-range-correction-and-an-asymptotic-lower-bound-2407.09151</loc><lastmod>2024-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/long-range-configuration-interaction-with-an-ab-initio-short-range-correction-and-an-asymptotic-lower-bound-2407.09151"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/long-range-configuration-interaction-with-an-ab-initio-short-range-correction-and-an-asymptotic-lower-bound-2407.09151"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-anatomy-of-self-interaction-in-kohn-sham-density-functional-theory-2407.09680</loc><lastmod>2024-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-anatomy-of-self-interaction-in-kohn-sham-density-functional-theory-2407.09680"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-anatomy-of-self-interaction-in-kohn-sham-density-functional-theory-2407.09680"/></url>
<url><loc>https://scifaro.com/en/abs/incorporation-of-internal-coordinates-interpolation-into-the-freezing-string-method-2407.09763</loc><lastmod>2025-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/incorporation-of-internal-coordinates-interpolation-into-the-freezing-string-method-2407.09763"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/incorporation-of-internal-coordinates-interpolation-into-the-freezing-string-method-2407.09763"/></url>
<url><loc>https://scifaro.com/en/abs/selected-multi-criteria-decision-making-methods-and-their-applications-to-product-and-system-design-2407.09931</loc><lastmod>2024-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selected-multi-criteria-decision-making-methods-and-their-applications-to-product-and-system-design-2407.09931"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selected-multi-criteria-decision-making-methods-and-their-applications-to-product-and-system-design-2407.09931"/></url>
<url><loc>https://scifaro.com/en/abs/reactaivate-a-deep-learning-approach-to-predicting-reaction-mechanisms-and-unmasking-reactivity-hotspots-2407.10090</loc><lastmod>2024-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reactaivate-a-deep-learning-approach-to-predicting-reaction-mechanisms-and-unmasking-reactivity-hotspots-2407.10090"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reactaivate-a-deep-learning-approach-to-predicting-reaction-mechanisms-and-unmasking-reactivity-hotspots-2407.10090"/></url>
<url><loc>https://scifaro.com/en/abs/atomic-decompositions-of-periodic-electronic-structure-simulations-2407.10148</loc><lastmod>2024-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomic-decompositions-of-periodic-electronic-structure-simulations-2407.10148"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomic-decompositions-of-periodic-electronic-structure-simulations-2407.10148"/></url>
<url><loc>https://scifaro.com/en/abs/two-electron-two-nucleus-effective-hamiltonian-and-the-spin-diffusion-barrier-2407.10319</loc><lastmod>2024-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-electron-two-nucleus-effective-hamiltonian-and-the-spin-diffusion-barrier-2407.10319"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-electron-two-nucleus-effective-hamiltonian-and-the-spin-diffusion-barrier-2407.10319"/></url>
<url><loc>https://scifaro.com/en/abs/unified-implementation-of-relativistic-wave-function-methods-4c-icipt2-as-a-showcase-2407.10479</loc><lastmod>2024-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unified-implementation-of-relativistic-wave-function-methods-4c-icipt2-as-a-showcase-2407.10479"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unified-implementation-of-relativistic-wave-function-methods-4c-icipt2-as-a-showcase-2407.10479"/></url>
<url><loc>https://scifaro.com/en/abs/multi-objective-optimization-and-multi-criteria-decision-making-approach-to-design-multi-tubular-packed-bed-membrane-reactor-in-oxidative-dehydrogenation-of-ethane-2407.10774</loc><lastmod>2025-07-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-objective-optimization-and-multi-criteria-decision-making-approach-to-design-multi-tubular-packed-bed-membrane-reactor-in-oxidative-dehydrogenation-of-ethane-2407.10774"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-objective-optimization-and-multi-criteria-decision-making-approach-to-design-multi-tubular-packed-bed-membrane-reactor-in-oxidative-dehydrogenation-of-ethane-2407.10774"/></url>
<url><loc>https://scifaro.com/en/abs/distinguishing-inner-and-outer-sphere-hot-electron-transfer-in-au-p-gan-photocathodes-2407.10808</loc><lastmod>2024-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/distinguishing-inner-and-outer-sphere-hot-electron-transfer-in-au-p-gan-photocathodes-2407.10808"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/distinguishing-inner-and-outer-sphere-hot-electron-transfer-in-au-p-gan-photocathodes-2407.10808"/></url>
<url><loc>https://scifaro.com/en/abs/exciting-deepmd-learning-excited-state-energies-forces-and-non-adiabatic-couplings-2407.10881</loc><lastmod>2024-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exciting-deepmd-learning-excited-state-energies-forces-and-non-adiabatic-couplings-2407.10881"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exciting-deepmd-learning-excited-state-energies-forces-and-non-adiabatic-couplings-2407.10881"/></url>
<url><loc>https://scifaro.com/en/abs/insights-into-the-mechanism-selectivity-and-substituent-effects-in-the-diels-alder-reaction-of-azatrienes-with-electron-rich-dienophiles-an-medt-study-2407.11230</loc><lastmod>2024-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/insights-into-the-mechanism-selectivity-and-substituent-effects-in-the-diels-alder-reaction-of-azatrienes-with-electron-rich-dienophiles-an-medt-study-2407.11230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/insights-into-the-mechanism-selectivity-and-substituent-effects-in-the-diels-alder-reaction-of-azatrienes-with-electron-rich-dienophiles-an-medt-study-2407.11230"/></url>
<url><loc>https://scifaro.com/en/abs/periodic-local-coupled-cluster-theory-for-insulators-and-metals-2407.11258</loc><lastmod>2024-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/periodic-local-coupled-cluster-theory-for-insulators-and-metals-2407.11258"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/periodic-local-coupled-cluster-theory-for-insulators-and-metals-2407.11258"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-the-influence-of-the-photosynthetic-membrane-on-b800-b850-energy-transfer-within-the-peripheral-light-harvesting-complex-lh2-2407.12591</loc><lastmod>2024-07-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-the-influence-of-the-photosynthetic-membrane-on-b800-b850-energy-transfer-within-the-peripheral-light-harvesting-complex-lh2-2407.12591"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-the-influence-of-the-photosynthetic-membrane-on-b800-b850-energy-transfer-within-the-peripheral-light-harvesting-complex-lh2-2407.12591"/></url>
<url><loc>https://scifaro.com/en/abs/reducing-numerical-precision-requirements-in-quantum-chemistry-calculations-2407.13299</loc><lastmod>2024-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reducing-numerical-precision-requirements-in-quantum-chemistry-calculations-2407.13299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reducing-numerical-precision-requirements-in-quantum-chemistry-calculations-2407.13299"/></url>
<url><loc>https://scifaro.com/en/abs/a-simple-approach-to-rotationally-invariant-machine-learning-of-avector-quantity-2407.13468</loc><lastmod>2025-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-approach-to-rotationally-invariant-machine-learning-of-avector-quantity-2407.13468"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-approach-to-rotationally-invariant-machine-learning-of-avector-quantity-2407.13468"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-structure-search-using-atomistic-graph-based-classifiers-2407.13471</loc><lastmod>2024-07-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-structure-search-using-atomistic-graph-based-classifiers-2407.13471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-structure-search-using-atomistic-graph-based-classifiers-2407.13471"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-microscopic-structure-of-neat-linear-alkylamine-liquids-an-x-ray-scattering-and-computer-simulation-study-2407.14096</loc><lastmod>2024-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-microscopic-structure-of-neat-linear-alkylamine-liquids-an-x-ray-scattering-and-computer-simulation-study-2407.14096"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-microscopic-structure-of-neat-linear-alkylamine-liquids-an-x-ray-scattering-and-computer-simulation-study-2407.14096"/></url>
<url><loc>https://scifaro.com/en/abs/complete-retrieval-of-attosecond-photoelectron-dynamics-from-partially-coherent-states-in-entangled-photoemission-2407.14139</loc><lastmod>2024-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/complete-retrieval-of-attosecond-photoelectron-dynamics-from-partially-coherent-states-in-entangled-photoemission-2407.14139"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/complete-retrieval-of-attosecond-photoelectron-dynamics-from-partially-coherent-states-in-entangled-photoemission-2407.14139"/></url>
<url><loc>https://scifaro.com/en/abs/fragment-quantum-embedding-using-the-householder-transformation-a-multi-state-extension-based-on-ensembles-2407.14278</loc><lastmod>2024-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fragment-quantum-embedding-using-the-householder-transformation-a-multi-state-extension-based-on-ensembles-2407.14278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fragment-quantum-embedding-using-the-householder-transformation-a-multi-state-extension-based-on-ensembles-2407.14278"/></url>
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<url><loc>https://scifaro.com/en/abs/cavity-born-oppenheimer-approximation-for-molecules-and-materials-via-electric-field-response-2407.14613</loc><lastmod>2025-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cavity-born-oppenheimer-approximation-for-molecules-and-materials-via-electric-field-response-2407.14613"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cavity-born-oppenheimer-approximation-for-molecules-and-materials-via-electric-field-response-2407.14613"/></url>
<url><loc>https://scifaro.com/en/abs/potential-distribution-theory-of-alchemical-transfer-2407.14713</loc><lastmod>2024-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/potential-distribution-theory-of-alchemical-transfer-2407.14713"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/potential-distribution-theory-of-alchemical-transfer-2407.14713"/></url>
<url><loc>https://scifaro.com/en/abs/it-asparagus-a-toolkit-for-autonomous-user-guided-construction-of-machine-learned-potential-energy-surfaces-2407.15175</loc><lastmod>2024-07-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/it-asparagus-a-toolkit-for-autonomous-user-guided-construction-of-machine-learned-potential-energy-surfaces-2407.15175"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/it-asparagus-a-toolkit-for-autonomous-user-guided-construction-of-machine-learned-potential-energy-surfaces-2407.15175"/></url>
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<url><loc>https://scifaro.com/en/abs/effective-core-potentials-as-a-pathway-to-self-interaction-error-correction-a-proof-of-concept-study-on-one-electron-systems-2407.17027</loc><lastmod>2024-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effective-core-potentials-as-a-pathway-to-self-interaction-error-correction-a-proof-of-concept-study-on-one-electron-systems-2407.17027"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effective-core-potentials-as-a-pathway-to-self-interaction-error-correction-a-proof-of-concept-study-on-one-electron-systems-2407.17027"/></url>
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<url><loc>https://scifaro.com/en/abs/targeted-energy-transfer-dynamics-and-chemical-reactions-2407.17345</loc><lastmod>2024-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/targeted-energy-transfer-dynamics-and-chemical-reactions-2407.17345"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/targeted-energy-transfer-dynamics-and-chemical-reactions-2407.17345"/></url>
<url><loc>https://scifaro.com/en/abs/application-of-the-digital-annealer-unit-in-optimizing-chemical-reaction-conditions-for-enhanced-production-yields-2407.17485</loc><lastmod>2024-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/application-of-the-digital-annealer-unit-in-optimizing-chemical-reaction-conditions-for-enhanced-production-yields-2407.17485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/application-of-the-digital-annealer-unit-in-optimizing-chemical-reaction-conditions-for-enhanced-production-yields-2407.17485"/></url>
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<url><loc>https://scifaro.com/en/abs/ab-initio-treatment-of-molecular-coster-kronig-decay-using-complex-scaled-equation-of-motion-coupled-cluster-theory-2407.17644</loc><lastmod>2024-07-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-treatment-of-molecular-coster-kronig-decay-using-complex-scaled-equation-of-motion-coupled-cluster-theory-2407.17644"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-treatment-of-molecular-coster-kronig-decay-using-complex-scaled-equation-of-motion-coupled-cluster-theory-2407.17644"/></url>
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<url><loc>https://scifaro.com/en/abs/room-temperature-detection-of-the-h2-2-dimer-2407.18366</loc><lastmod>2024-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/room-temperature-detection-of-the-h2-2-dimer-2407.18366"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/room-temperature-detection-of-the-h2-2-dimer-2407.18366"/></url>
<url><loc>https://scifaro.com/en/abs/lagrangian-formulation-of-nuclear-electronic-orbital-ehrenfest-dynamics-with-real-time-tddft-for-extended-periodic-systems-2407.18842</loc><lastmod>2024-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/lagrangian-formulation-of-nuclear-electronic-orbital-ehrenfest-dynamics-with-real-time-tddft-for-extended-periodic-systems-2407.18842"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/lagrangian-formulation-of-nuclear-electronic-orbital-ehrenfest-dynamics-with-real-time-tddft-for-extended-periodic-systems-2407.18842"/></url>
<url><loc>https://scifaro.com/en/abs/a-machine-learning-and-explainable-ai-framework-tailored-for-unbalanced-experimental-catalyst-discovery-2407.18935</loc><lastmod>2024-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-machine-learning-and-explainable-ai-framework-tailored-for-unbalanced-experimental-catalyst-discovery-2407.18935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-machine-learning-and-explainable-ai-framework-tailored-for-unbalanced-experimental-catalyst-discovery-2407.18935"/></url>
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<url><loc>https://scifaro.com/en/abs/prospects-for-rank-reduced-ccsd-t-in-the-context-of-high-accuracy-thermochemistry-2407.19042</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prospects-for-rank-reduced-ccsd-t-in-the-context-of-high-accuracy-thermochemistry-2407.19042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prospects-for-rank-reduced-ccsd-t-in-the-context-of-high-accuracy-thermochemistry-2407.19042"/></url>
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<url><loc>https://scifaro.com/en/abs/the-simple-photochemistry-of-thiophene-2407.20039</loc><lastmod>2024-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-simple-photochemistry-of-thiophene-2407.20039"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-simple-photochemistry-of-thiophene-2407.20039"/></url>
<url><loc>https://scifaro.com/en/abs/delta-machine-learning-to-elevate-dft-based-potentials-and-a-force-field-to-the-ccsd-t-level-illustrated-for-ethanol-2407.20050</loc><lastmod>2025-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/delta-machine-learning-to-elevate-dft-based-potentials-and-a-force-field-to-the-ccsd-t-level-illustrated-for-ethanol-2407.20050"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/delta-machine-learning-to-elevate-dft-based-potentials-and-a-force-field-to-the-ccsd-t-level-illustrated-for-ethanol-2407.20050"/></url>
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<url><loc>https://scifaro.com/en/abs/functional-analytic-derivation-and-cp2k-implementation-of-the-sccs-model-based-on-the-solvent-aware-interface-2407.20404</loc><lastmod>2024-07-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/functional-analytic-derivation-and-cp2k-implementation-of-the-sccs-model-based-on-the-solvent-aware-interface-2407.20404"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/functional-analytic-derivation-and-cp2k-implementation-of-the-sccs-model-based-on-the-solvent-aware-interface-2407.20404"/></url>
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<url><loc>https://scifaro.com/en/abs/accurate-tunneling-splittings-for-ever-larger-molecules-from-transfer-learned-ccsd-t-quality-energy-functions-2407.21366</loc><lastmod>2024-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-tunneling-splittings-for-ever-larger-molecules-from-transfer-learned-ccsd-t-quality-energy-functions-2407.21366"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-tunneling-splittings-for-ever-larger-molecules-from-transfer-learned-ccsd-t-quality-energy-functions-2407.21366"/></url>
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<url><loc>https://scifaro.com/en/abs/a-structured-framework-for-predicting-sustainable-aviation-fuel-properties-using-liquid-phase-ftir-and-machine-learning-2408.01530</loc><lastmod>2024-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-structured-framework-for-predicting-sustainable-aviation-fuel-properties-using-liquid-phase-ftir-and-machine-learning-2408.01530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-structured-framework-for-predicting-sustainable-aviation-fuel-properties-using-liquid-phase-ftir-and-machine-learning-2408.01530"/></url>
<url><loc>https://scifaro.com/en/abs/properties-of-promising-cartilage-implants-based-on-cellulose-polyacrylamide-composite-hydrogels-results-of-in-vivo-tests-carried-out-over-a-period-of-90-120-days-2408.01828</loc><lastmod>2024-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/properties-of-promising-cartilage-implants-based-on-cellulose-polyacrylamide-composite-hydrogels-results-of-in-vivo-tests-carried-out-over-a-period-of-90-120-days-2408.01828"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/properties-of-promising-cartilage-implants-based-on-cellulose-polyacrylamide-composite-hydrogels-results-of-in-vivo-tests-carried-out-over-a-period-of-90-120-days-2408.01828"/></url>
<url><loc>https://scifaro.com/en/abs/investigating-the-hyperparameter-space-of-deep-neural-network-models-for-reaction-coordinates-2408.02132</loc><lastmod>2025-02-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigating-the-hyperparameter-space-of-deep-neural-network-models-for-reaction-coordinates-2408.02132"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigating-the-hyperparameter-space-of-deep-neural-network-models-for-reaction-coordinates-2408.02132"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-superlattice-phonons-in-charge-localization-across-quantum-dot-arrays-2408.02188</loc><lastmod>2025-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-superlattice-phonons-in-charge-localization-across-quantum-dot-arrays-2408.02188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-superlattice-phonons-in-charge-localization-across-quantum-dot-arrays-2408.02188"/></url>
<url><loc>https://scifaro.com/en/abs/high-order-harmonic-generation-probing-of-a-ring-opening-reaction-2408.02216</loc><lastmod>2024-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-order-harmonic-generation-probing-of-a-ring-opening-reaction-2408.02216"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-order-harmonic-generation-probing-of-a-ring-opening-reaction-2408.02216"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-inverse-kohn-sham-calculations-using-reduced-density-matrices-2408.02342</loc><lastmod>2024-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-inverse-kohn-sham-calculations-using-reduced-density-matrices-2408.02342"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-inverse-kohn-sham-calculations-using-reduced-density-matrices-2408.02342"/></url>
<url><loc>https://scifaro.com/en/abs/metal-organic-framework-derived-sugarcoated-haws-like-agnws-zif-8-pd-for-plasmon-promoted-photocatalytic-hydrogenation-2408.02356</loc><lastmod>2024-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/metal-organic-framework-derived-sugarcoated-haws-like-agnws-zif-8-pd-for-plasmon-promoted-photocatalytic-hydrogenation-2408.02356"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/metal-organic-framework-derived-sugarcoated-haws-like-agnws-zif-8-pd-for-plasmon-promoted-photocatalytic-hydrogenation-2408.02356"/></url>
<url><loc>https://scifaro.com/en/abs/a-reverse-non-equilibrium-molecular-dynamics-rnemd-algorithm-for-coupled-mass-and-heat-transport-in-mixtures-2408.02621</loc><lastmod>2024-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-reverse-non-equilibrium-molecular-dynamics-rnemd-algorithm-for-coupled-mass-and-heat-transport-in-mixtures-2408.02621"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-reverse-non-equilibrium-molecular-dynamics-rnemd-algorithm-for-coupled-mass-and-heat-transport-in-mixtures-2408.02621"/></url>
<url><loc>https://scifaro.com/en/abs/exchange-correlation-potential-built-on-the-derivative-discontinuity-of-electron-density-2408.02663</loc><lastmod>2024-08-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exchange-correlation-potential-built-on-the-derivative-discontinuity-of-electron-density-2408.02663"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exchange-correlation-potential-built-on-the-derivative-discontinuity-of-electron-density-2408.02663"/></url>
<url><loc>https://scifaro.com/en/abs/single-molecule-spectral-fluctuation-originates-from-the-variation-in-dipole-orientation-connected-to-accessible-vibrational-modes-2408.02975</loc><lastmod>2024-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/single-molecule-spectral-fluctuation-originates-from-the-variation-in-dipole-orientation-connected-to-accessible-vibrational-modes-2408.02975"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/single-molecule-spectral-fluctuation-originates-from-the-variation-in-dipole-orientation-connected-to-accessible-vibrational-modes-2408.02975"/></url>
<url><loc>https://scifaro.com/en/abs/on-ambient-light-induced-intermolecular-coulombic-decay-in-unbound-pyridine-monomers-2408.02981</loc><lastmod>2025-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-ambient-light-induced-intermolecular-coulombic-decay-in-unbound-pyridine-monomers-2408.02981"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-ambient-light-induced-intermolecular-coulombic-decay-in-unbound-pyridine-monomers-2408.02981"/></url>
<url><loc>https://scifaro.com/en/abs/a-dual-cutoff-machine-learned-potential-for-condensed-organic-systems-obtained-via-uncertainty-guided-active-learning-2408.03058</loc><lastmod>2024-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-dual-cutoff-machine-learned-potential-for-condensed-organic-systems-obtained-via-uncertainty-guided-active-learning-2408.03058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-dual-cutoff-machine-learned-potential-for-condensed-organic-systems-obtained-via-uncertainty-guided-active-learning-2408.03058"/></url>
<url><loc>https://scifaro.com/en/abs/elastic-and-inelastic-electron-scattering-cross-sections-of-trichlorofluoromethane-2408.03171</loc><lastmod>2025-04-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elastic-and-inelastic-electron-scattering-cross-sections-of-trichlorofluoromethane-2408.03171"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elastic-and-inelastic-electron-scattering-cross-sections-of-trichlorofluoromethane-2408.03171"/></url>
<url><loc>https://scifaro.com/en/abs/path-integral-calculation-of-the-third-dielectric-virial-coefficient-of-helium-based-on-ab-initio-three-body-polarizability-and-dipole-surfaces-2408.03176</loc><lastmod>2024-10-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/path-integral-calculation-of-the-third-dielectric-virial-coefficient-of-helium-based-on-ab-initio-three-body-polarizability-and-dipole-surfaces-2408.03176"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/path-integral-calculation-of-the-third-dielectric-virial-coefficient-of-helium-based-on-ab-initio-three-body-polarizability-and-dipole-surfaces-2408.03176"/></url>
<url><loc>https://scifaro.com/en/abs/multiscale-modeling-framework-of-a-constrained-fluid-with-complex-boundaries-using-twin-neural-networks-2408.03263</loc><lastmod>2024-08-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-modeling-framework-of-a-constrained-fluid-with-complex-boundaries-using-twin-neural-networks-2408.03263"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-modeling-framework-of-a-constrained-fluid-with-complex-boundaries-using-twin-neural-networks-2408.03263"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-qm-mm-molecular-dynamics-for-periodic-systems-in-textsc-gpu4pyscf-with-applications-to-enzyme-catalysis-2408.03273</loc><lastmod>2024-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-qm-mm-molecular-dynamics-for-periodic-systems-in-textsc-gpu4pyscf-with-applications-to-enzyme-catalysis-2408.03273"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-qm-mm-molecular-dynamics-for-periodic-systems-in-textsc-gpu4pyscf-with-applications-to-enzyme-catalysis-2408.03273"/></url>
<url><loc>https://scifaro.com/en/abs/stability-mechanisms-of-unconventional-stoichiometric-crystals-exampled-by-two-dimensional-na2cl-on-graphene-under-ambient-conditions-2408.04286</loc><lastmod>2024-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stability-mechanisms-of-unconventional-stoichiometric-crystals-exampled-by-two-dimensional-na2cl-on-graphene-under-ambient-conditions-2408.04286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stability-mechanisms-of-unconventional-stoichiometric-crystals-exampled-by-two-dimensional-na2cl-on-graphene-under-ambient-conditions-2408.04286"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-the-influence-of-solvation-on-the-electrochemical-double-layer-of-salt-solvent-mixtures-2408.04314</loc><lastmod>2024-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-the-influence-of-solvation-on-the-electrochemical-double-layer-of-salt-solvent-mixtures-2408.04314"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-the-influence-of-solvation-on-the-electrochemical-double-layer-of-salt-solvent-mixtures-2408.04314"/></url>
<url><loc>https://scifaro.com/en/abs/stimulated-x-ray-raman-scattering-for-selective-preparation-of-dark-states-bypassing-optical-selection-rules-2408.04370</loc><lastmod>2024-08-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stimulated-x-ray-raman-scattering-for-selective-preparation-of-dark-states-bypassing-optical-selection-rules-2408.04370"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stimulated-x-ray-raman-scattering-for-selective-preparation-of-dark-states-bypassing-optical-selection-rules-2408.04370"/></url>
<url><loc>https://scifaro.com/en/abs/protons-accumulate-at-the-graphene-water-interface-2408.04487</loc><lastmod>2025-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/protons-accumulate-at-the-graphene-water-interface-2408.04487"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/protons-accumulate-at-the-graphene-water-interface-2408.04487"/></url>
<url><loc>https://scifaro.com/en/abs/schr-o-dingernet-a-universal-neural-network-solver-for-the-schr-o-dinger-equation-2408.04497</loc><lastmod>2024-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/schr-o-dingernet-a-universal-neural-network-solver-for-the-schr-o-dinger-equation-2408.04497"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/schr-o-dingernet-a-universal-neural-network-solver-for-the-schr-o-dinger-equation-2408.04497"/></url>
<url><loc>https://scifaro.com/en/abs/scalable-learning-of-potentials-to-predict-time-dependent-hartree-fock-dynamics-2408.04765</loc><lastmod>2024-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scalable-learning-of-potentials-to-predict-time-dependent-hartree-fock-dynamics-2408.04765"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scalable-learning-of-potentials-to-predict-time-dependent-hartree-fock-dynamics-2408.04765"/></url>
<url><loc>https://scifaro.com/en/abs/a-high-temperature-thermocouple-development-by-additive-manufacturing-tungsten-nickel-w-ni-and-molybdenum-mo-integration-with-ceramic-structures-2408.04800</loc><lastmod>2024-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-high-temperature-thermocouple-development-by-additive-manufacturing-tungsten-nickel-w-ni-and-molybdenum-mo-integration-with-ceramic-structures-2408.04800"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-high-temperature-thermocouple-development-by-additive-manufacturing-tungsten-nickel-w-ni-and-molybdenum-mo-integration-with-ceramic-structures-2408.04800"/></url>
<url><loc>https://scifaro.com/en/abs/benchmark-computations-of-nearly-degenerate-singlet-and-triplet-states-of-n-heterocyclic-chromophores-ii-density-based-methods-2408.04915</loc><lastmod>2024-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmark-computations-of-nearly-degenerate-singlet-and-triplet-states-of-n-heterocyclic-chromophores-ii-density-based-methods-2408.04915"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmark-computations-of-nearly-degenerate-singlet-and-triplet-states-of-n-heterocyclic-chromophores-ii-density-based-methods-2408.04915"/></url>
<url><loc>https://scifaro.com/en/abs/hybrid-lunar-isru-plant-a-comparative-analysis-with-carbothermal-reduction-and-water-extraction-2408.04936</loc><lastmod>2025-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hybrid-lunar-isru-plant-a-comparative-analysis-with-carbothermal-reduction-and-water-extraction-2408.04936"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hybrid-lunar-isru-plant-a-comparative-analysis-with-carbothermal-reduction-and-water-extraction-2408.04936"/></url>
<url><loc>https://scifaro.com/en/abs/when-do-molecular-polaritons-behave-like-optical-filters-2408.05036</loc><lastmod>2025-06-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/when-do-molecular-polaritons-behave-like-optical-filters-2408.05036"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/when-do-molecular-polaritons-behave-like-optical-filters-2408.05036"/></url>
<url><loc>https://scifaro.com/en/abs/physics-informed-weakly-supervised-learning-for-interatomic-potentials-2408.05215</loc><lastmod>2025-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physics-informed-weakly-supervised-learning-for-interatomic-potentials-2408.05215"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physics-informed-weakly-supervised-learning-for-interatomic-potentials-2408.05215"/></url>
<url><loc>https://scifaro.com/en/abs/advancing-thermodynamic-group-contribution-methods-by-machine-learning-unifac-2-0-2408.05220</loc><lastmod>2025-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/advancing-thermodynamic-group-contribution-methods-by-machine-learning-unifac-2-0-2408.05220"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/advancing-thermodynamic-group-contribution-methods-by-machine-learning-unifac-2-0-2408.05220"/></url>
<url><loc>https://scifaro.com/en/abs/can-we-learn-the-energy-of-sublimation-of-ice-from-water-clusters-2408.05234</loc><lastmod>2024-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/can-we-learn-the-energy-of-sublimation-of-ice-from-water-clusters-2408.05234"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/can-we-learn-the-energy-of-sublimation-of-ice-from-water-clusters-2408.05234"/></url>
<url><loc>https://scifaro.com/en/abs/fragpt2-multi-fragment-wavefunction-embedding-with-perturbative-interactions-2408.05250</loc><lastmod>2025-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fragpt2-multi-fragment-wavefunction-embedding-with-perturbative-interactions-2408.05250"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fragpt2-multi-fragment-wavefunction-embedding-with-perturbative-interactions-2408.05250"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-nonadiabatic-molecular-dynamics-using-linearized-pair-density-functional-theory-2408.05434</loc><lastmod>2024-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-nonadiabatic-molecular-dynamics-using-linearized-pair-density-functional-theory-2408.05434"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-nonadiabatic-molecular-dynamics-using-linearized-pair-density-functional-theory-2408.05434"/></url>
<url><loc>https://scifaro.com/en/abs/numerical-study-of-co2-conversion-to-saf-in-a-fixed-bed-catalytic-reactor-2408.05551</loc><lastmod>2024-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerical-study-of-co2-conversion-to-saf-in-a-fixed-bed-catalytic-reactor-2408.05551"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerical-study-of-co2-conversion-to-saf-in-a-fixed-bed-catalytic-reactor-2408.05551"/></url>
<url><loc>https://scifaro.com/en/abs/constructing-accurate-and-efficient-general-purpose-atomistic-machine-learning-model-with-transferable-accuracy-for-quantum-chemistry-2408.05932</loc><lastmod>2024-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/constructing-accurate-and-efficient-general-purpose-atomistic-machine-learning-model-with-transferable-accuracy-for-quantum-chemistry-2408.05932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/constructing-accurate-and-efficient-general-purpose-atomistic-machine-learning-model-with-transferable-accuracy-for-quantum-chemistry-2408.05932"/></url>
<url><loc>https://scifaro.com/en/abs/modelling-the-kohn-sham-potential-for-molecular-dissociation-with-orbital-independent-functionals-a-proof-of-principle-2408.06038</loc><lastmod>2024-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modelling-the-kohn-sham-potential-for-molecular-dissociation-with-orbital-independent-functionals-a-proof-of-principle-2408.06038"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modelling-the-kohn-sham-potential-for-molecular-dissociation-with-orbital-independent-functionals-a-proof-of-principle-2408.06038"/></url>
<url><loc>https://scifaro.com/en/abs/geminal-theory-within-the-seniority-formalism-and-bi-variational-principle-2408.06842</loc><lastmod>2024-08-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/geminal-theory-within-the-seniority-formalism-and-bi-variational-principle-2408.06842"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/geminal-theory-within-the-seniority-formalism-and-bi-variational-principle-2408.06842"/></url>
<url><loc>https://scifaro.com/en/abs/insights-into-polymer-electrolyte-stability-and-reaction-pathways-a-first-principle-calculations-study-2408.07229</loc><lastmod>2024-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/insights-into-polymer-electrolyte-stability-and-reaction-pathways-a-first-principle-calculations-study-2408.07229"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/insights-into-polymer-electrolyte-stability-and-reaction-pathways-a-first-principle-calculations-study-2408.07229"/></url>
<url><loc>https://scifaro.com/en/abs/coupling-between-local-and-global-oscillations-in-palladium-catalysed-methane-oxidation-2408.07374</loc><lastmod>2024-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupling-between-local-and-global-oscillations-in-palladium-catalysed-methane-oxidation-2408.07374"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupling-between-local-and-global-oscillations-in-palladium-catalysed-methane-oxidation-2408.07374"/></url>
<url><loc>https://scifaro.com/en/abs/force-fields-for-deep-eutectic-mixtures-application-to-structure-and-2d-infrared-spectroscopy-2408.07638</loc><lastmod>2024-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/force-fields-for-deep-eutectic-mixtures-application-to-structure-and-2d-infrared-spectroscopy-2408.07638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/force-fields-for-deep-eutectic-mixtures-application-to-structure-and-2d-infrared-spectroscopy-2408.07638"/></url>
<url><loc>https://scifaro.com/en/abs/non-iterative-triples-for-transcorrelated-coupled-cluster-theory-2408.07858</loc><lastmod>2025-02-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-iterative-triples-for-transcorrelated-coupled-cluster-theory-2408.07858"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-iterative-triples-for-transcorrelated-coupled-cluster-theory-2408.07858"/></url>
<url><loc>https://scifaro.com/en/abs/simultaneous-imaging-of-vibrational-rotational-and-electronic-wave-packet-dynamics-in-a-triatomic-molecule-2408.07958</loc><lastmod>2025-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simultaneous-imaging-of-vibrational-rotational-and-electronic-wave-packet-dynamics-in-a-triatomic-molecule-2408.07958"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simultaneous-imaging-of-vibrational-rotational-and-electronic-wave-packet-dynamics-in-a-triatomic-molecule-2408.07958"/></url>
<url><loc>https://scifaro.com/en/abs/hessian-qm9-a-quantum-chemistry-database-of-molecular-hessians-in-implicit-solvents-2408.08006</loc><lastmod>2024-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hessian-qm9-a-quantum-chemistry-database-of-molecular-hessians-in-implicit-solvents-2408.08006"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hessian-qm9-a-quantum-chemistry-database-of-molecular-hessians-in-implicit-solvents-2408.08006"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-nmr-parameters-and-geometry-in-133cs-containing-compounds-using-density-functional-theory-2408.08079</loc><lastmod>2025-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-nmr-parameters-and-geometry-in-133cs-containing-compounds-using-density-functional-theory-2408.08079"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-nmr-parameters-and-geometry-in-133cs-containing-compounds-using-density-functional-theory-2408.08079"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-composite-infrared-spectroscopy-combining-the-doubly-harmonic-approximation-with-machine-learning-potentials-2408.08174</loc><lastmod>2025-02-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-composite-infrared-spectroscopy-combining-the-doubly-harmonic-approximation-with-machine-learning-potentials-2408.08174"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-composite-infrared-spectroscopy-combining-the-doubly-harmonic-approximation-with-machine-learning-potentials-2408.08174"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-and-efficient-structure-elucidation-from-routine-one-dimensional-nmr-spectra-using-multitask-machine-learning-2408.08284</loc><lastmod>2024-08-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-and-efficient-structure-elucidation-from-routine-one-dimensional-nmr-spectra-using-multitask-machine-learning-2408.08284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-and-efficient-structure-elucidation-from-routine-one-dimensional-nmr-spectra-using-multitask-machine-learning-2408.08284"/></url>
<url><loc>https://scifaro.com/en/abs/the-joint-solvation-interaction-2408.08419</loc><lastmod>2024-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-joint-solvation-interaction-2408.08419"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-joint-solvation-interaction-2408.08419"/></url>
<url><loc>https://scifaro.com/en/abs/fractional-charges-linear-conditions-and-chemical-potentials-for-excited-states-in-delta-scf-theory-2408.08443</loc><lastmod>2024-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fractional-charges-linear-conditions-and-chemical-potentials-for-excited-states-in-delta-scf-theory-2408.08443"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fractional-charges-linear-conditions-and-chemical-potentials-for-excited-states-in-delta-scf-theory-2408.08443"/></url>
<url><loc>https://scifaro.com/en/abs/meta-creatures-developing-an-omnipotent-hydrogel-cell-to-construct-bio-inspired-systems-2408.08573</loc><lastmod>2024-08-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/meta-creatures-developing-an-omnipotent-hydrogel-cell-to-construct-bio-inspired-systems-2408.08573"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/meta-creatures-developing-an-omnipotent-hydrogel-cell-to-construct-bio-inspired-systems-2408.08573"/></url>
<url><loc>https://scifaro.com/en/abs/photoluminescence-decay-of-mobile-carriers-influenced-by-imperfect-quenching-at-particle-surfaces-with-subdiffusive-spread-2408.08692</loc><lastmod>2024-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoluminescence-decay-of-mobile-carriers-influenced-by-imperfect-quenching-at-particle-surfaces-with-subdiffusive-spread-2408.08692"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoluminescence-decay-of-mobile-carriers-influenced-by-imperfect-quenching-at-particle-surfaces-with-subdiffusive-spread-2408.08692"/></url>
<url><loc>https://scifaro.com/en/abs/isotope-selective-strong-field-ionization-of-semi-heavy-water-2408.09056</loc><lastmod>2024-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/isotope-selective-strong-field-ionization-of-semi-heavy-water-2408.09056"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/isotope-selective-strong-field-ionization-of-semi-heavy-water-2408.09056"/></url>
<url><loc>https://scifaro.com/en/abs/all-electron-molecular-tunnel-ionization-based-on-the-weak-field-asymptotic-theory-in-the-integral-representation-2408.09372</loc><lastmod>2025-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/all-electron-molecular-tunnel-ionization-based-on-the-weak-field-asymptotic-theory-in-the-integral-representation-2408.09372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/all-electron-molecular-tunnel-ionization-based-on-the-weak-field-asymptotic-theory-in-the-integral-representation-2408.09372"/></url>
<url><loc>https://scifaro.com/en/abs/towards-a-correct-description-of-initial-electronic-coherence-in-nonadiabatic-dynamics-simulations-2408.09547</loc><lastmod>2024-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/towards-a-correct-description-of-initial-electronic-coherence-in-nonadiabatic-dynamics-simulations-2408.09547"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/towards-a-correct-description-of-initial-electronic-coherence-in-nonadiabatic-dynamics-simulations-2408.09547"/></url>
<url><loc>https://scifaro.com/en/abs/does-basis-set-superposition-error-significantly-affect-post-ccsd-t-corrections-2408.10034</loc><lastmod>2025-01-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/does-basis-set-superposition-error-significantly-affect-post-ccsd-t-corrections-2408.10034"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/does-basis-set-superposition-error-significantly-affect-post-ccsd-t-corrections-2408.10034"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-energies-are-chemical-potentials-in-ground-state-density-functional-theory-and-excited-state-delta-scf-theory-2408.10059</loc><lastmod>2024-08-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-energies-are-chemical-potentials-in-ground-state-density-functional-theory-and-excited-state-delta-scf-theory-2408.10059"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-energies-are-chemical-potentials-in-ground-state-density-functional-theory-and-excited-state-delta-scf-theory-2408.10059"/></url>
<url><loc>https://scifaro.com/en/abs/elucidating-the-mechanism-of-helium-evaporation-from-liquid-water-2408.10345</loc><lastmod>2024-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/elucidating-the-mechanism-of-helium-evaporation-from-liquid-water-2408.10345"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/elucidating-the-mechanism-of-helium-evaporation-from-liquid-water-2408.10345"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-strong-field-ionization-and-fragmentation-of-methanol-using-non-commensurate-fields-2408.10423</loc><lastmod>2024-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-strong-field-ionization-and-fragmentation-of-methanol-using-non-commensurate-fields-2408.10423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-strong-field-ionization-and-fragmentation-of-methanol-using-non-commensurate-fields-2408.10423"/></url>
<url><loc>https://scifaro.com/en/abs/revisiting-the-measurements-and-interpretations-of-dlvo-forces-2408.10870</loc><lastmod>2024-08-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/revisiting-the-measurements-and-interpretations-of-dlvo-forces-2408.10870"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/revisiting-the-measurements-and-interpretations-of-dlvo-forces-2408.10870"/></url>
<url><loc>https://scifaro.com/en/abs/multiple-topology-replica-exchange-of-expanded-ensembles-mt-rexee-for-multidimensional-alchemical-calculations-2408.11038</loc><lastmod>2025-08-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiple-topology-replica-exchange-of-expanded-ensembles-mt-rexee-for-multidimensional-alchemical-calculations-2408.11038"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiple-topology-replica-exchange-of-expanded-ensembles-mt-rexee-for-multidimensional-alchemical-calculations-2408.11038"/></url>
<url><loc>https://scifaro.com/en/abs/capturing-anharmonic-effects-in-single-vibronic-level-fluorescence-spectra-using-local-harmonic-hagedorn-wavepacket-dynamics-2408.11991</loc><lastmod>2025-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/capturing-anharmonic-effects-in-single-vibronic-level-fluorescence-spectra-using-local-harmonic-hagedorn-wavepacket-dynamics-2408.11991"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/capturing-anharmonic-effects-in-single-vibronic-level-fluorescence-spectra-using-local-harmonic-hagedorn-wavepacket-dynamics-2408.11991"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-quantum-chemical-data-sets-and-databases-for-machine-learning-potentials-2408.12058</loc><lastmod>2025-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-quantum-chemical-data-sets-and-databases-for-machine-learning-potentials-2408.12058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-quantum-chemical-data-sets-and-databases-for-machine-learning-potentials-2408.12058"/></url>
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<url><loc>https://scifaro.com/en/abs/stringnet-neural-network-based-variational-method-for-transition-pathways-2408.12621</loc><lastmod>2024-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stringnet-neural-network-based-variational-method-for-transition-pathways-2408.12621"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stringnet-neural-network-based-variational-method-for-transition-pathways-2408.12621"/></url>
<url><loc>https://scifaro.com/en/abs/packmol-gui-an-all-in-one-vmd-interface-for-efficient-molecular-packing-2408.12624</loc><lastmod>2024-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/packmol-gui-an-all-in-one-vmd-interface-for-efficient-molecular-packing-2408.12624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/packmol-gui-an-all-in-one-vmd-interface-for-efficient-molecular-packing-2408.12624"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-potentials-a-roadmap-toward-next-generation-biomolecular-simulations-2408.12625</loc><lastmod>2024-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-potentials-a-roadmap-toward-next-generation-biomolecular-simulations-2408.12625"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-potentials-a-roadmap-toward-next-generation-biomolecular-simulations-2408.12625"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-based-construction-of-molecular-potential-and-its-application-in-exploring-the-deep-lying-orbital-effect-in-high-order-harmonic-generation-2408.12627</loc><lastmod>2024-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-based-construction-of-molecular-potential-and-its-application-in-exploring-the-deep-lying-orbital-effect-in-high-order-harmonic-generation-2408.12627"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-based-construction-of-molecular-potential-and-its-application-in-exploring-the-deep-lying-orbital-effect-in-high-order-harmonic-generation-2408.12627"/></url>
<url><loc>https://scifaro.com/en/abs/electron-impact-partial-ionization-cross-section-and-thermal-rate-coefficients-of-gaseous-refrigerants-2408.12892</loc><lastmod>2024-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electron-impact-partial-ionization-cross-section-and-thermal-rate-coefficients-of-gaseous-refrigerants-2408.12892"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electron-impact-partial-ionization-cross-section-and-thermal-rate-coefficients-of-gaseous-refrigerants-2408.12892"/></url>
<url><loc>https://scifaro.com/en/abs/feshbach-resonances-in-cold-collisions-benchmarking-state-of-the-art-ab-initio-potential-energy-surfaces-2408.13197</loc><lastmod>2025-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/feshbach-resonances-in-cold-collisions-benchmarking-state-of-the-art-ab-initio-potential-energy-surfaces-2408.13197"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/feshbach-resonances-in-cold-collisions-benchmarking-state-of-the-art-ab-initio-potential-energy-surfaces-2408.13197"/></url>
<url><loc>https://scifaro.com/en/abs/femtosecond-core-level-charge-transfer-2408.13365</loc><lastmod>2024-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtosecond-core-level-charge-transfer-2408.13365"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtosecond-core-level-charge-transfer-2408.13365"/></url>
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<url><loc>https://scifaro.com/en/abs/theory-of-molecular-emission-power-spectra-iii-non-hermitian-interactions-in-multichromophoric-systems-coupled-with-polaritons-2408.14569</loc><lastmod>2024-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theory-of-molecular-emission-power-spectra-iii-non-hermitian-interactions-in-multichromophoric-systems-coupled-with-polaritons-2408.14569"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theory-of-molecular-emission-power-spectra-iii-non-hermitian-interactions-in-multichromophoric-systems-coupled-with-polaritons-2408.14569"/></url>
<url><loc>https://scifaro.com/en/abs/near-equivalence-of-polarizability-and-bond-order-flux-metrics-for-describing-covalent-bond-rearrangements-2408.14643</loc><lastmod>2024-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/near-equivalence-of-polarizability-and-bond-order-flux-metrics-for-describing-covalent-bond-rearrangements-2408.14643"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/near-equivalence-of-polarizability-and-bond-order-flux-metrics-for-describing-covalent-bond-rearrangements-2408.14643"/></url>
<url><loc>https://scifaro.com/en/abs/interplay-of-protection-and-damage-through-intermolecular-processes-in-the-decay-of-electronic-core-holes-in-microsolvated-organic-molecules-2408.14664</loc><lastmod>2024-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/interplay-of-protection-and-damage-through-intermolecular-processes-in-the-decay-of-electronic-core-holes-in-microsolvated-organic-molecules-2408.14664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/interplay-of-protection-and-damage-through-intermolecular-processes-in-the-decay-of-electronic-core-holes-in-microsolvated-organic-molecules-2408.14664"/></url>
<url><loc>https://scifaro.com/en/abs/data-driven-approach-to-learning-optimal-forms-of-constitutive-relations-in-models-describing-lithium-plating-in-battery-cells-2408.14804</loc><lastmod>2024-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/data-driven-approach-to-learning-optimal-forms-of-constitutive-relations-in-models-describing-lithium-plating-in-battery-cells-2408.14804"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/data-driven-approach-to-learning-optimal-forms-of-constitutive-relations-in-models-describing-lithium-plating-in-battery-cells-2408.14804"/></url>
<url><loc>https://scifaro.com/en/abs/fully-polarizable-multiconfigurational-self-consistent-field-fluctuating-charge-approach-2408.14891</loc><lastmod>2024-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fully-polarizable-multiconfigurational-self-consistent-field-fluctuating-charge-approach-2408.14891"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fully-polarizable-multiconfigurational-self-consistent-field-fluctuating-charge-approach-2408.14891"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-a-very-strongly-polar-compound-11-1-alkanol-alkanenitrile-systems-2408.14898</loc><lastmod>2024-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-a-very-strongly-polar-compound-11-1-alkanol-alkanenitrile-systems-2408.14898"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-a-very-strongly-polar-compound-11-1-alkanol-alkanenitrile-systems-2408.14898"/></url>
<url><loc>https://scifaro.com/en/abs/a-nonlinear-phase-field-model-of-corrosion-with-charging-kinetics-of-electric-double-layer-2408.14905</loc><lastmod>2024-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-nonlinear-phase-field-model-of-corrosion-with-charging-kinetics-of-electric-double-layer-2408.14905"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-nonlinear-phase-field-model-of-corrosion-with-charging-kinetics-of-electric-double-layer-2408.14905"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-kinetic-interactions-between-nox-and-c2-c5-alkanes-and-alkenes-the-rate-rules-and-influences-of-h-atom-abstractions-by-no2-2408.15023</loc><lastmod>2024-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-kinetic-interactions-between-nox-and-c2-c5-alkanes-and-alkenes-the-rate-rules-and-influences-of-h-atom-abstractions-by-no2-2408.15023"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-kinetic-interactions-between-nox-and-c2-c5-alkanes-and-alkenes-the-rate-rules-and-influences-of-h-atom-abstractions-by-no2-2408.15023"/></url>
<url><loc>https://scifaro.com/en/abs/mathcal-p-t-odd-effects-in-ybcu-ybag-and-ybau-2408.15029</loc><lastmod>2025-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mathcal-p-t-odd-effects-in-ybcu-ybag-and-ybau-2408.15029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mathcal-p-t-odd-effects-in-ybcu-ybag-and-ybau-2408.15029"/></url>
<url><loc>https://scifaro.com/en/abs/force-guided-bridge-matching-for-full-atom-time-coarsened-dynamics-of-peptides-2408.15126</loc><lastmod>2024-12-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/force-guided-bridge-matching-for-full-atom-time-coarsened-dynamics-of-peptides-2408.15126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/force-guided-bridge-matching-for-full-atom-time-coarsened-dynamics-of-peptides-2408.15126"/></url>
<url><loc>https://scifaro.com/en/abs/magnetic-properties-of-polyacetylene-exploring-electronic-correlation-effects-through-first-principles-modeling-2408.15382</loc><lastmod>2025-03-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/magnetic-properties-of-polyacetylene-exploring-electronic-correlation-effects-through-first-principles-modeling-2408.15382"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/magnetic-properties-of-polyacetylene-exploring-electronic-correlation-effects-through-first-principles-modeling-2408.15382"/></url>
<url><loc>https://scifaro.com/en/abs/adsorption-of-guanidinium-cations-to-the-air-water-interface-2408.15423</loc><lastmod>2025-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adsorption-of-guanidinium-cations-to-the-air-water-interface-2408.15423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adsorption-of-guanidinium-cations-to-the-air-water-interface-2408.15423"/></url>
<url><loc>https://scifaro.com/en/abs/tracking-the-electron-density-changes-in-excited-states-a-computational-study-on-pyrazine-2408.15494</loc><lastmod>2024-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tracking-the-electron-density-changes-in-excited-states-a-computational-study-on-pyrazine-2408.15494"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tracking-the-electron-density-changes-in-excited-states-a-computational-study-on-pyrazine-2408.15494"/></url>
<url><loc>https://scifaro.com/en/abs/energy-relaxation-of-n-2-o-in-gaseous-supercritical-and-liquid-xenon-and-sf-6-2408.15636</loc><lastmod>2024-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-relaxation-of-n-2-o-in-gaseous-supercritical-and-liquid-xenon-and-sf-6-2408.15636"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-relaxation-of-n-2-o-in-gaseous-supercritical-and-liquid-xenon-and-sf-6-2408.15636"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-amide-ketone-mixtures-1-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylformamide-2-alkanone-systems-at-several-temperatures-2408.15644</loc><lastmod>2024-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-amide-ketone-mixtures-1-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylformamide-2-alkanone-systems-at-several-temperatures-2408.15644"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-amide-ketone-mixtures-1-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylformamide-2-alkanone-systems-at-several-temperatures-2408.15644"/></url>
<url><loc>https://scifaro.com/en/abs/chemtrain-learning-deep-potential-models-via-automatic-differentiation-and-statistical-physics-2408.15852</loc><lastmod>2025-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemtrain-learning-deep-potential-models-via-automatic-differentiation-and-statistical-physics-2408.15852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemtrain-learning-deep-potential-models-via-automatic-differentiation-and-statistical-physics-2408.15852"/></url>
<url><loc>https://scifaro.com/en/abs/conformal-coordinates-for-molecular-geometry-from-3d-to-5d-2408.16188</loc><lastmod>2025-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformal-coordinates-for-molecular-geometry-from-3d-to-5d-2408.16188"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformal-coordinates-for-molecular-geometry-from-3d-to-5d-2408.16188"/></url>
<url><loc>https://scifaro.com/en/abs/combining-effective-hamiltonians-and-brillouin-wigner-approach-a-perturbative-approach-to-spectroscopy-2408.16505</loc><lastmod>2024-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combining-effective-hamiltonians-and-brillouin-wigner-approach-a-perturbative-approach-to-spectroscopy-2408.16505"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combining-effective-hamiltonians-and-brillouin-wigner-approach-a-perturbative-approach-to-spectroscopy-2408.16505"/></url>
<url><loc>https://scifaro.com/en/abs/mapping-safety-transitions-as-batteries-degrade-a-model-based-analysis-towards-full-lifespan-battery-safety-management-2408.16604</loc><lastmod>2024-08-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mapping-safety-transitions-as-batteries-degrade-a-model-based-analysis-towards-full-lifespan-battery-safety-management-2408.16604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mapping-safety-transitions-as-batteries-degrade-a-model-based-analysis-towards-full-lifespan-battery-safety-management-2408.16604"/></url>
<url><loc>https://scifaro.com/en/abs/tensor-decomposed-distinguishable-cluster-i-triples-decomposition-2408.16681</loc><lastmod>2025-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/tensor-decomposed-distinguishable-cluster-i-triples-decomposition-2408.16681"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/tensor-decomposed-distinguishable-cluster-i-triples-decomposition-2408.16681"/></url>
<url><loc>https://scifaro.com/en/abs/the-relevance-of-degenerate-states-in-chiral-polaritonics-2408.16695</loc><lastmod>2024-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-relevance-of-degenerate-states-in-chiral-polaritonics-2408.16695"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-relevance-of-degenerate-states-in-chiral-polaritonics-2408.16695"/></url>
<url><loc>https://scifaro.com/en/abs/propellant-discovery-for-electrospray-thrusters-using-machine-learning-2408.16951</loc><lastmod>2024-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/propellant-discovery-for-electrospray-thrusters-using-machine-learning-2408.16951"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/propellant-discovery-for-electrospray-thrusters-using-machine-learning-2408.16951"/></url>
<url><loc>https://scifaro.com/en/abs/general-quantum-alchemical-free-energy-simulations-via-hamiltonian-interpolation-2408.17002</loc><lastmod>2024-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-quantum-alchemical-free-energy-simulations-via-hamiltonian-interpolation-2408.17002"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-quantum-alchemical-free-energy-simulations-via-hamiltonian-interpolation-2408.17002"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-for-predicting-control-landscape-maps-of-quantum-molecular-dynamics-laser-induced-three-dimensional-alignment-of-asymmetric-top-molecules-2408.17089</loc><lastmod>2024-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-for-predicting-control-landscape-maps-of-quantum-molecular-dynamics-laser-induced-three-dimensional-alignment-of-asymmetric-top-molecules-2408.17089"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-for-predicting-control-landscape-maps-of-quantum-molecular-dynamics-laser-induced-three-dimensional-alignment-of-asymmetric-top-molecules-2408.17089"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-key-kinetic-interactions-between-nox-and-unsaturated-hydrocarbons-h-atom-abstraction-from-c3-c7-alkynes-and-dienes-by-no2-2408.17277</loc><lastmod>2024-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-key-kinetic-interactions-between-nox-and-unsaturated-hydrocarbons-h-atom-abstraction-from-c3-c7-alkynes-and-dienes-by-no2-2408.17277"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-key-kinetic-interactions-between-nox-and-unsaturated-hydrocarbons-h-atom-abstraction-from-c3-c7-alkynes-and-dienes-by-no2-2408.17277"/></url>
<url><loc>https://scifaro.com/en/abs/including-photoexcitation-explicitly-in-trajectory-based-nonadiabatic-dynamics-at-no-cost-2408.17359</loc><lastmod>2024-10-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/including-photoexcitation-explicitly-in-trajectory-based-nonadiabatic-dynamics-at-no-cost-2408.17359"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/including-photoexcitation-explicitly-in-trajectory-based-nonadiabatic-dynamics-at-no-cost-2408.17359"/></url>
<url><loc>https://scifaro.com/en/abs/1-5-femtosecond-delay-in-charge-transfer-2408.17402</loc><lastmod>2024-09-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/1-5-femtosecond-delay-in-charge-transfer-2408.17402"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/1-5-femtosecond-delay-in-charge-transfer-2408.17402"/></url>
<url><loc>https://scifaro.com/en/abs/quest-4x-an-extension-of-quest-4-for-benchmarking-multireference-wavefunction-methods-2409.00302</loc><lastmod>2024-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quest-4x-an-extension-of-quest-4-for-benchmarking-multireference-wavefunction-methods-2409.00302"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quest-4x-an-extension-of-quest-4-for-benchmarking-multireference-wavefunction-methods-2409.00302"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-density-mechanics-accurate-purely-density-based-textit-ab-initio-implementation-of-many-electron-quantum-mechanics-2409.00586</loc><lastmod>2024-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-density-mechanics-accurate-purely-density-based-textit-ab-initio-implementation-of-many-electron-quantum-mechanics-2409.00586"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-density-mechanics-accurate-purely-density-based-textit-ab-initio-implementation-of-many-electron-quantum-mechanics-2409.00586"/></url>
<url><loc>https://scifaro.com/en/abs/the-first-application-of-high-order-virial-equation-of-state-and-ab-initio-multi-body-potentials-in-modeling-supercritical-oxidation-in-jet-stirred-reactors-2409.01099</loc><lastmod>2024-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-first-application-of-high-order-virial-equation-of-state-and-ab-initio-multi-body-potentials-in-modeling-supercritical-oxidation-in-jet-stirred-reactors-2409.01099"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-first-application-of-high-order-virial-equation-of-state-and-ab-initio-multi-body-potentials-in-modeling-supercritical-oxidation-in-jet-stirred-reactors-2409.01099"/></url>
<url><loc>https://scifaro.com/en/abs/highly-accurate-real-space-electron-densities-with-neural-networks-2409.01306</loc><lastmod>2025-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/highly-accurate-real-space-electron-densities-with-neural-networks-2409.01306"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/highly-accurate-real-space-electron-densities-with-neural-networks-2409.01306"/></url>
<url><loc>https://scifaro.com/en/abs/is-the-protactinium-v-mono-oxo-bond-weaker-than-what-we-thought-2409.01338</loc><lastmod>2024-10-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/is-the-protactinium-v-mono-oxo-bond-weaker-than-what-we-thought-2409.01338"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/is-the-protactinium-v-mono-oxo-bond-weaker-than-what-we-thought-2409.01338"/></url>
<url><loc>https://scifaro.com/en/abs/simple-h-uckel-molecular-orbital-theory-for-m-obius-carbon-nanobelts-2409.01689</loc><lastmod>2025-02-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-h-uckel-molecular-orbital-theory-for-m-obius-carbon-nanobelts-2409.01689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-h-uckel-molecular-orbital-theory-for-m-obius-carbon-nanobelts-2409.01689"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-p-rho-t-characterization-of-a-reference-high-calorific-natural-gas-mixture-when-hydrogen-is-added-up-to-20-mol-mol-2409.01702</loc><lastmod>2024-09-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-p-rho-t-characterization-of-a-reference-high-calorific-natural-gas-mixture-when-hydrogen-is-added-up-to-20-mol-mol-2409.01702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-p-rho-t-characterization-of-a-reference-high-calorific-natural-gas-mixture-when-hydrogen-is-added-up-to-20-mol-mol-2409.01702"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-fly-ab-initio-hagedorn-wavepacket-dynamics-single-vibronic-level-fluorescence-spectra-of-difluorocarbene-2409.01862</loc><lastmod>2025-01-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-hagedorn-wavepacket-dynamics-single-vibronic-level-fluorescence-spectra-of-difluorocarbene-2409.01862"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-fly-ab-initio-hagedorn-wavepacket-dynamics-single-vibronic-level-fluorescence-spectra-of-difluorocarbene-2409.01862"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-design-space-between-molecular-mechanics-and-machine-learning-force-fields-2409.01931</loc><lastmod>2025-04-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-design-space-between-molecular-mechanics-and-machine-learning-force-fields-2409.01931"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-design-space-between-molecular-mechanics-and-machine-learning-force-fields-2409.01931"/></url>
<url><loc>https://scifaro.com/en/abs/smileyllama-modifying-large-language-models-for-directed-chemical-space-exploration-2409.02231</loc><lastmod>2026-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/smileyllama-modifying-large-language-models-for-directed-chemical-space-exploration-2409.02231"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/smileyllama-modifying-large-language-models-for-directed-chemical-space-exploration-2409.02231"/></url>
<url><loc>https://scifaro.com/en/abs/sdspt2s-sdspt2-with-selection-2409.02367</loc><lastmod>2024-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sdspt2s-sdspt2-with-selection-2409.02367"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sdspt2s-sdspt2-with-selection-2409.02367"/></url>
<url><loc>https://scifaro.com/en/abs/self-consistent-approach-to-the-dynamics-of-excitation-energy-transfer-in-multichromophoric-systems-2409.02496</loc><lastmod>2024-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-consistent-approach-to-the-dynamics-of-excitation-energy-transfer-in-multichromophoric-systems-2409.02496"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-consistent-approach-to-the-dynamics-of-excitation-energy-transfer-in-multichromophoric-systems-2409.02496"/></url>
<url><loc>https://scifaro.com/en/abs/variational-vibrational-states-of-methanol-12d-2409.02505</loc><lastmod>2024-09-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/variational-vibrational-states-of-methanol-12d-2409.02505"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/variational-vibrational-states-of-methanol-12d-2409.02505"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-instanton-theory-for-reaction-rates-at-any-temperature-how-a-rigorous-real-time-derivation-solves-the-crossover-temperature-problem-2409.02820</loc><lastmod>2024-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-instanton-theory-for-reaction-rates-at-any-temperature-how-a-rigorous-real-time-derivation-solves-the-crossover-temperature-problem-2409.02820"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-instanton-theory-for-reaction-rates-at-any-temperature-how-a-rigorous-real-time-derivation-solves-the-crossover-temperature-problem-2409.02820"/></url>
<url><loc>https://scifaro.com/en/abs/nano-scale-manipulation-of-single-molecule-conformational-transition-through-vibrational-excitation-2409.03195</loc><lastmod>2024-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nano-scale-manipulation-of-single-molecule-conformational-transition-through-vibrational-excitation-2409.03195"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nano-scale-manipulation-of-single-molecule-conformational-transition-through-vibrational-excitation-2409.03195"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-characterization-of-the-h-2-c-3-h-8-system-significant-for-the-hydrogen-economy-experimental-p-rho-t-determination-and-equation-of-state-modelling-2409.03647</loc><lastmod>2024-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-characterization-of-the-h-2-c-3-h-8-system-significant-for-the-hydrogen-economy-experimental-p-rho-t-determination-and-equation-of-state-modelling-2409.03647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-characterization-of-the-h-2-c-3-h-8-system-significant-for-the-hydrogen-economy-experimental-p-rho-t-determination-and-equation-of-state-modelling-2409.03647"/></url>
<url><loc>https://scifaro.com/en/abs/thermophysical-properties-of-hydrogen-mixtures-relevant-for-the-development-of-the-hydrogen-economy-review-of-available-experimental-data-and-thermodynamic-models-2409.03666</loc><lastmod>2024-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermophysical-properties-of-hydrogen-mixtures-relevant-for-the-development-of-the-hydrogen-economy-review-of-available-experimental-data-and-thermodynamic-models-2409.03666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermophysical-properties-of-hydrogen-mixtures-relevant-for-the-development-of-the-hydrogen-economy-review-of-available-experimental-data-and-thermodynamic-models-2409.03666"/></url>
<url><loc>https://scifaro.com/en/abs/speed-of-sound-data-and-acoustic-virial-coefficients-of-two-binary-n-2-h-2-mixtures-at-temperatures-between-260-and-350-k-and-at-pressures-between-0-5-and-20-mpa-2409.03677</loc><lastmod>2024-09-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speed-of-sound-data-and-acoustic-virial-coefficients-of-two-binary-n-2-h-2-mixtures-at-temperatures-between-260-and-350-k-and-at-pressures-between-0-5-and-20-mpa-2409.03677"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speed-of-sound-data-and-acoustic-virial-coefficients-of-two-binary-n-2-h-2-mixtures-at-temperatures-between-260-and-350-k-and-at-pressures-between-0-5-and-20-mpa-2409.03677"/></url>
<url><loc>https://scifaro.com/en/abs/benchmarking-basis-sets-for-density-functional-theory-thermochemistry-calculations-why-unpolarised-basis-sets-and-the-polarised-6-311g-family-should-be-avoided-2409.03964</loc><lastmod>2024-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-basis-sets-for-density-functional-theory-thermochemistry-calculations-why-unpolarised-basis-sets-and-the-polarised-6-311g-family-should-be-avoided-2409.03964"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-basis-sets-for-density-functional-theory-thermochemistry-calculations-why-unpolarised-basis-sets-and-the-polarised-6-311g-family-should-be-avoided-2409.03964"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-specialisation-of-gaussian-basis-sets-for-core-dependent-properties-2409.03994</loc><lastmod>2024-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-specialisation-of-gaussian-basis-sets-for-core-dependent-properties-2409.03994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-specialisation-of-gaussian-basis-sets-for-core-dependent-properties-2409.03994"/></url>
<url><loc>https://scifaro.com/en/abs/comprehensive-reevaluation-of-acetaldehyde-chemistry-and-the-underlying-uncertainties-2409.04015</loc><lastmod>2024-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comprehensive-reevaluation-of-acetaldehyde-chemistry-and-the-underlying-uncertainties-2409.04015"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comprehensive-reevaluation-of-acetaldehyde-chemistry-and-the-underlying-uncertainties-2409.04015"/></url>
<url><loc>https://scifaro.com/en/abs/c-2-mim-ch-3-so-3-a-suitable-new-heat-transfer-fluid-part-2-thermophysical-properties-of-its-mixtures-with-water-2409.04070</loc><lastmod>2024-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/c-2-mim-ch-3-so-3-a-suitable-new-heat-transfer-fluid-part-2-thermophysical-properties-of-its-mixtures-with-water-2409.04070"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/c-2-mim-ch-3-so-3-a-suitable-new-heat-transfer-fluid-part-2-thermophysical-properties-of-its-mixtures-with-water-2409.04070"/></url>
<url><loc>https://scifaro.com/en/abs/speed-of-sound-and-phase-equilibria-for-co-2-c-3-h-8-mixtures-2409.04083</loc><lastmod>2024-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speed-of-sound-and-phase-equilibria-for-co-2-c-3-h-8-mixtures-2409.04083"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speed-of-sound-and-phase-equilibria-for-co-2-c-3-h-8-mixtures-2409.04083"/></url>
<url><loc>https://scifaro.com/en/abs/speed-of-sound-data-derived-perfect-gas-heat-capacities-and-acoustic-virial-coefficients-of-a-calibration-standard-natural-gas-mixture-and-a-low-calorific-h-2-enriched-mixture-2409.04094</loc><lastmod>2024-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speed-of-sound-data-derived-perfect-gas-heat-capacities-and-acoustic-virial-coefficients-of-a-calibration-standard-natural-gas-mixture-and-a-low-calorific-h-2-enriched-mixture-2409.04094"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speed-of-sound-data-derived-perfect-gas-heat-capacities-and-acoustic-virial-coefficients-of-a-calibration-standard-natural-gas-mixture-and-a-low-calorific-h-2-enriched-mixture-2409.04094"/></url>
<url><loc>https://scifaro.com/en/abs/kohn-sham-inversion-with-mathematical-guarantees-2409.04372</loc><lastmod>2025-11-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kohn-sham-inversion-with-mathematical-guarantees-2409.04372"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kohn-sham-inversion-with-mathematical-guarantees-2409.04372"/></url>
<url><loc>https://scifaro.com/en/abs/charting-new-regions-of-cobalt-s-chemical-space-with-maximally-large-magnetic-anisotropy-a-computational-high-throughput-study-2409.04418</loc><lastmod>2024-09-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charting-new-regions-of-cobalt-s-chemical-space-with-maximally-large-magnetic-anisotropy-a-computational-high-throughput-study-2409.04418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charting-new-regions-of-cobalt-s-chemical-space-with-maximally-large-magnetic-anisotropy-a-computational-high-throughput-study-2409.04418"/></url>
<url><loc>https://scifaro.com/en/abs/operating-a-multi-level-molecular-dimer-switch-through-precise-tip-molecule-control-2409.04591</loc><lastmod>2024-11-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/operating-a-multi-level-molecular-dimer-switch-through-precise-tip-molecule-control-2409.04591"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/operating-a-multi-level-molecular-dimer-switch-through-precise-tip-molecule-control-2409.04591"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-reaction-and-transport-fluxes-in-temperature-gradient-driven-chemical-reaction-diffusion-systems-2409.04773</loc><lastmod>2025-03-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-reaction-and-transport-fluxes-in-temperature-gradient-driven-chemical-reaction-diffusion-systems-2409.04773"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-reaction-and-transport-fluxes-in-temperature-gradient-driven-chemical-reaction-diffusion-systems-2409.04773"/></url>
<url><loc>https://scifaro.com/en/abs/multiconfigurational-short-range-on-top-pair-density-functional-theory-2409.05213</loc><lastmod>2025-01-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiconfigurational-short-range-on-top-pair-density-functional-theory-2409.05213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiconfigurational-short-range-on-top-pair-density-functional-theory-2409.05213"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-2-alkanol-polar-organic-solvent-mixtures-i-systems-with-ketones-ethers-or-organic-carbonates-2409.05415</loc><lastmod>2024-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-2-alkanol-polar-organic-solvent-mixtures-i-systems-with-ketones-ethers-or-organic-carbonates-2409.05415"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-2-alkanol-polar-organic-solvent-mixtures-i-systems-with-ketones-ethers-or-organic-carbonates-2409.05415"/></url>
<url><loc>https://scifaro.com/en/abs/density-and-speed-of-sound-of-iodobenzene-n-alkane-liquid-mixtures-at-t-288-15-to-308-15-k-application-of-the-prigogine-flory-patterson-model-2409.05422</loc><lastmod>2024-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-and-speed-of-sound-of-iodobenzene-n-alkane-liquid-mixtures-at-t-288-15-to-308-15-k-application-of-the-prigogine-flory-patterson-model-2409.05422"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-and-speed-of-sound-of-iodobenzene-n-alkane-liquid-mixtures-at-t-288-15-to-308-15-k-application-of-the-prigogine-flory-patterson-model-2409.05422"/></url>
<url><loc>https://scifaro.com/en/abs/viscosities-of-iodobenzene-n-alkane-mixtures-at-288-15-308-15-k-measurements-and-results-from-models-2409.05426</loc><lastmod>2024-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/viscosities-of-iodobenzene-n-alkane-mixtures-at-288-15-308-15-k-measurements-and-results-from-models-2409.05426"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/viscosities-of-iodobenzene-n-alkane-mixtures-at-288-15-308-15-k-measurements-and-results-from-models-2409.05426"/></url>
<url><loc>https://scifaro.com/en/abs/transferability-of-datasets-between-machine-learning-interaction-potentials-2409.05590</loc><lastmod>2024-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transferability-of-datasets-between-machine-learning-interaction-potentials-2409.05590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transferability-of-datasets-between-machine-learning-interaction-potentials-2409.05590"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-real-time-molecular-electron-dynamics-efficiently-using-the-time-dependent-density-matrix-renormalization-group-2409.05959</loc><lastmod>2024-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-real-time-molecular-electron-dynamics-efficiently-using-the-time-dependent-density-matrix-renormalization-group-2409.05959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-real-time-molecular-electron-dynamics-efficiently-using-the-time-dependent-density-matrix-renormalization-group-2409.05959"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-characterization-of-the-co-2-o-2-binary-system-for-the-development-of-models-for-ccs-processes-accurate-experimental-p-rho-t-data-and-virial-coefficients-2409.06312</loc><lastmod>2024-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-characterization-of-the-co-2-o-2-binary-system-for-the-development-of-models-for-ccs-processes-accurate-experimental-p-rho-t-data-and-virial-coefficients-2409.06312"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-characterization-of-the-co-2-o-2-binary-system-for-the-development-of-models-for-ccs-processes-accurate-experimental-p-rho-t-data-and-virial-coefficients-2409.06312"/></url>
<url><loc>https://scifaro.com/en/abs/thermal-conductivity-of-metastable-ionic-liquid-c-2-mim-ch-3-so-3-2409.06346</loc><lastmod>2024-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermal-conductivity-of-metastable-ionic-liquid-c-2-mim-ch-3-so-3-2409.06346"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermal-conductivity-of-metastable-ionic-liquid-c-2-mim-ch-3-so-3-2409.06346"/></url>
<url><loc>https://scifaro.com/en/abs/orientational-and-steric-effects-in-linear-alkanoates-n-alkane-mixtures-2409.06347</loc><lastmod>2024-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orientational-and-steric-effects-in-linear-alkanoates-n-alkane-mixtures-2409.06347"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orientational-and-steric-effects-in-linear-alkanoates-n-alkane-mixtures-2409.06347"/></url>
<url><loc>https://scifaro.com/en/abs/spectral-map-for-slow-collective-variables-markovian-dynamics-and-transition-state-ensembles-2409.06428</loc><lastmod>2024-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectral-map-for-slow-collective-variables-markovian-dynamics-and-transition-state-ensembles-2409.06428"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectral-map-for-slow-collective-variables-markovian-dynamics-and-transition-state-ensembles-2409.06428"/></url>
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<url><loc>https://scifaro.com/en/abs/multiscale-embedding-for-quantum-computing-2409.06813</loc><lastmod>2025-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multiscale-embedding-for-quantum-computing-2409.06813"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multiscale-embedding-for-quantum-computing-2409.06813"/></url>
<url><loc>https://scifaro.com/en/abs/diverse-transient-chiral-dynamics-in-evolutionary-distinct-photosynthetic-reaction-centers-2409.06996</loc><lastmod>2024-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diverse-transient-chiral-dynamics-in-evolutionary-distinct-photosynthetic-reaction-centers-2409.06996"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diverse-transient-chiral-dynamics-in-evolutionary-distinct-photosynthetic-reaction-centers-2409.06996"/></url>
<url><loc>https://scifaro.com/en/abs/speed-of-sound-for-three-binary-ch-4-h-2-mixtures-from-p-0-5-up-to-20-mpa-at-t-273-16-to-375-k-2409.07130</loc><lastmod>2024-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speed-of-sound-for-three-binary-ch-4-h-2-mixtures-from-p-0-5-up-to-20-mpa-at-t-273-16-to-375-k-2409.07130"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speed-of-sound-for-three-binary-ch-4-h-2-mixtures-from-p-0-5-up-to-20-mpa-at-t-273-16-to-375-k-2409.07130"/></url>
<url><loc>https://scifaro.com/en/abs/determination-of-the-force-transmission-error-in-a-single-sinker-magnetic-suspension-densimeter-due-to-the-fluid-specific-effect-and-its-correction-for-use-with-gas-mixtures-containing-oxygen-2409.07140</loc><lastmod>2024-09-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determination-of-the-force-transmission-error-in-a-single-sinker-magnetic-suspension-densimeter-due-to-the-fluid-specific-effect-and-its-correction-for-use-with-gas-mixtures-containing-oxygen-2409.07140"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determination-of-the-force-transmission-error-in-a-single-sinker-magnetic-suspension-densimeter-due-to-the-fluid-specific-effect-and-its-correction-for-use-with-gas-mixtures-containing-oxygen-2409.07140"/></url>
<url><loc>https://scifaro.com/en/abs/energy-filtered-excited-states-and-real-time-dynamics-served-in-a-contour-integral-2409.07354</loc><lastmod>2025-07-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/energy-filtered-excited-states-and-real-time-dynamics-served-in-a-contour-integral-2409.07354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/energy-filtered-excited-states-and-real-time-dynamics-served-in-a-contour-integral-2409.07354"/></url>
<url><loc>https://scifaro.com/en/abs/atomic-ionization-sd-energy-imbalance-and-perdew-zunger-self-interaction-correction-energy-penalty-in-3d-atoms-2409.07438</loc><lastmod>2025-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atomic-ionization-sd-energy-imbalance-and-perdew-zunger-self-interaction-correction-energy-penalty-in-3d-atoms-2409.07438"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atomic-ionization-sd-energy-imbalance-and-perdew-zunger-self-interaction-correction-energy-penalty-in-3d-atoms-2409.07438"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-1-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylformamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-at-several-temperatures-2409.07472</loc><lastmod>2024-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-1-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylformamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-at-several-temperatures-2409.07472"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-1-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylformamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-at-several-temperatures-2409.07472"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-2-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylacetamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-at-several-temperatures-2409.07474</loc><lastmod>2024-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-2-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylacetamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-at-several-temperatures-2409.07474"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-2-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylacetamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-at-several-temperatures-2409.07474"/></url>
<url><loc>https://scifaro.com/en/abs/series-expansion-of-a-scalable-hermitian-excitonic-renormalization-method-2409.07628</loc><lastmod>2024-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/series-expansion-of-a-scalable-hermitian-excitonic-renormalization-method-2409.07628"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/series-expansion-of-a-scalable-hermitian-excitonic-renormalization-method-2409.07628"/></url>
<url><loc>https://scifaro.com/en/abs/speeds-of-sound-for-ch-4-he-mixtures-from-p-0-5-to-20-mpa-at-t-273-16-to-375-k-2409.08128</loc><lastmod>2024-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speeds-of-sound-for-ch-4-he-mixtures-from-p-0-5-to-20-mpa-at-t-273-16-to-375-k-2409.08128"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speeds-of-sound-for-ch-4-he-mixtures-from-p-0-5-to-20-mpa-at-t-273-16-to-375-k-2409.08128"/></url>
<url><loc>https://scifaro.com/en/abs/a-novel-technique-based-on-a-cylindrical-microwave-resonator-for-high-pressure-phase-equilibrium-determination-2409.08144</loc><lastmod>2024-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-novel-technique-based-on-a-cylindrical-microwave-resonator-for-high-pressure-phase-equilibrium-determination-2409.08144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-novel-technique-based-on-a-cylindrical-microwave-resonator-for-high-pressure-phase-equilibrium-determination-2409.08144"/></url>
<url><loc>https://scifaro.com/en/abs/unifying-the-description-of-hydrocarbons-and-hydrogenated-carbon-materials-with-a-chemically-reactive-machine-learning-interatomic-potential-2409.08194</loc><lastmod>2024-09-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unifying-the-description-of-hydrocarbons-and-hydrogenated-carbon-materials-with-a-chemically-reactive-machine-learning-interatomic-potential-2409.08194"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unifying-the-description-of-hydrocarbons-and-hydrogenated-carbon-materials-with-a-chemically-reactive-machine-learning-interatomic-potential-2409.08194"/></url>
<url><loc>https://scifaro.com/en/abs/liquid-liquid-equilibria-for-systems-containing-4-phenylbutan-2-one-or-benzyl-ethanoate-and-selected-alkanes-2409.08292</loc><lastmod>2024-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/liquid-liquid-equilibria-for-systems-containing-4-phenylbutan-2-one-or-benzyl-ethanoate-and-selected-alkanes-2409.08292"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/liquid-liquid-equilibria-for-systems-containing-4-phenylbutan-2-one-or-benzyl-ethanoate-and-selected-alkanes-2409.08292"/></url>
<url><loc>https://scifaro.com/en/abs/photo-induced-molecular-growth-of-benzonitrile-in-the-gas-phase-2409.08590</loc><lastmod>2024-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photo-induced-molecular-growth-of-benzonitrile-in-the-gas-phase-2409.08590"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photo-induced-molecular-growth-of-benzonitrile-in-the-gas-phase-2409.08590"/></url>
<url><loc>https://scifaro.com/en/abs/diffusion-and-spectroscopy-of-h-2-in-myoglobin-2409.08737</loc><lastmod>2024-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffusion-and-spectroscopy-of-h-2-in-myoglobin-2409.08737"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffusion-and-spectroscopy-of-h-2-in-myoglobin-2409.08737"/></url>
<url><loc>https://scifaro.com/en/abs/large-differences-between-stochastic-and-deterministic-kinetics-in-a-simple-autocatalytic-reaction-network-2409.08875</loc><lastmod>2025-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/large-differences-between-stochastic-and-deterministic-kinetics-in-a-simple-autocatalytic-reaction-network-2409.08875"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/large-differences-between-stochastic-and-deterministic-kinetics-in-a-simple-autocatalytic-reaction-network-2409.08875"/></url>
<url><loc>https://scifaro.com/en/abs/high-temperature-non-equilibrium-atom-diatom-collisional-energy-transfer-2409.08955</loc><lastmod>2024-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-temperature-non-equilibrium-atom-diatom-collisional-energy-transfer-2409.08955"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-temperature-non-equilibrium-atom-diatom-collisional-energy-transfer-2409.08955"/></url>
<url><loc>https://scifaro.com/en/abs/collectively-modified-inter-molecular-electron-correlations-the-connection-of-polaritonic-chemistry-and-spin-glass-physics-2409.08986</loc><lastmod>2025-06-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/collectively-modified-inter-molecular-electron-correlations-the-connection-of-polaritonic-chemistry-and-spin-glass-physics-2409.08986"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/collectively-modified-inter-molecular-electron-correlations-the-connection-of-polaritonic-chemistry-and-spin-glass-physics-2409.08986"/></url>
<url><loc>https://scifaro.com/en/abs/polaritonic-control-of-blackbody-infrared-radiative-dissociation-2409.09000</loc><lastmod>2025-07-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polaritonic-control-of-blackbody-infrared-radiative-dissociation-2409.09000"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polaritonic-control-of-blackbody-infrared-radiative-dissociation-2409.09000"/></url>
<url><loc>https://scifaro.com/en/abs/zero-to-ultralow-field-nuclear-magnetic-resonance-2409.09048</loc><lastmod>2025-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zero-to-ultralow-field-nuclear-magnetic-resonance-2409.09048"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zero-to-ultralow-field-nuclear-magnetic-resonance-2409.09048"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-experimental-p-rho-t-data-of-natural-gas-mixtures-for-the-assessment-of-reference-equations-of-state-when-dealing-with-hydrogen-enriched-natural-gas-2409.09672</loc><lastmod>2024-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-experimental-p-rho-t-data-of-natural-gas-mixtures-for-the-assessment-of-reference-equations-of-state-when-dealing-with-hydrogen-enriched-natural-gas-2409.09672"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-experimental-p-rho-t-data-of-natural-gas-mixtures-for-the-assessment-of-reference-equations-of-state-when-dealing-with-hydrogen-enriched-natural-gas-2409.09672"/></url>
<url><loc>https://scifaro.com/en/abs/integrating-experiment-with-theory-to-determine-the-structure-of-electrode-electrolyte-interfaces-2409.10008</loc><lastmod>2024-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/integrating-experiment-with-theory-to-determine-the-structure-of-electrode-electrolyte-interfaces-2409.10008"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/integrating-experiment-with-theory-to-determine-the-structure-of-electrode-electrolyte-interfaces-2409.10008"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-molecular-dynamics-through-informed-resetting-2409.10115</loc><lastmod>2024-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-molecular-dynamics-through-informed-resetting-2409.10115"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-molecular-dynamics-through-informed-resetting-2409.10115"/></url>
<url><loc>https://scifaro.com/en/abs/updated-determination-of-the-molar-gas-constant-r-by-acoustic-measurements-in-argon-at-uva-cem-2409.10140</loc><lastmod>2024-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/updated-determination-of-the-molar-gas-constant-r-by-acoustic-measurements-in-argon-at-uva-cem-2409.10140"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/updated-determination-of-the-molar-gas-constant-r-by-acoustic-measurements-in-argon-at-uva-cem-2409.10140"/></url>
<url><loc>https://scifaro.com/en/abs/orientational-effects-in-alkanone-alkanal-or-dialkyl-carbonate-alkane-mixtures-and-in-alkanone-alkanone-or-dialkyl-carbonate-systems-2409.10149</loc><lastmod>2024-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orientational-effects-in-alkanone-alkanal-or-dialkyl-carbonate-alkane-mixtures-and-in-alkanone-alkanone-or-dialkyl-carbonate-systems-2409.10149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orientational-effects-in-alkanone-alkanal-or-dialkyl-carbonate-alkane-mixtures-and-in-alkanone-alkanone-or-dialkyl-carbonate-systems-2409.10149"/></url>
<url><loc>https://scifaro.com/en/abs/c-pol-point-charge-perturbation-scheme-for-mapping-tensor-moment-surfaces-2409.10184</loc><lastmod>2026-05-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/c-pol-point-charge-perturbation-scheme-for-mapping-tensor-moment-surfaces-2409.10184"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/c-pol-point-charge-perturbation-scheme-for-mapping-tensor-moment-surfaces-2409.10184"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-polarizable-qm-mm-using-the-direct-reaction-field-hamiltonian-with-electrostatic-potential-fitted-multipole-operators-2409.10483</loc><lastmod>2024-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-polarizable-qm-mm-using-the-direct-reaction-field-hamiltonian-with-electrostatic-potential-fitted-multipole-operators-2409.10483"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-polarizable-qm-mm-using-the-direct-reaction-field-hamiltonian-with-electrostatic-potential-fitted-multipole-operators-2409.10483"/></url>
<url><loc>https://scifaro.com/en/abs/a-model-for-the-current-voltage-characteristic-of-membrane-electrolyte-junctions-2409.10530</loc><lastmod>2024-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-model-for-the-current-voltage-characteristic-of-membrane-electrolyte-junctions-2409.10530"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-model-for-the-current-voltage-characteristic-of-membrane-electrolyte-junctions-2409.10530"/></url>
<url><loc>https://scifaro.com/en/abs/speeds-of-sound-for-a-biogas-mixture-ch-4-n-2-co-2-co-from-p-1-12-mpa-at-t-273-300-and-325-k-measured-with-a-spherical-resonator-2409.10962</loc><lastmod>2024-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/speeds-of-sound-for-a-biogas-mixture-ch-4-n-2-co-2-co-from-p-1-12-mpa-at-t-273-300-and-325-k-measured-with-a-spherical-resonator-2409.10962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/speeds-of-sound-for-a-biogas-mixture-ch-4-n-2-co-2-co-from-p-1-12-mpa-at-t-273-300-and-325-k-measured-with-a-spherical-resonator-2409.10962"/></url>
<url><loc>https://scifaro.com/en/abs/volumetric-behaviour-of-carbon-dioxide-hydrocarbon-mixtures-at-high-pressures-2409.10973</loc><lastmod>2024-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/volumetric-behaviour-of-carbon-dioxide-hydrocarbon-mixtures-at-high-pressures-2409.10973"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/volumetric-behaviour-of-carbon-dioxide-hydrocarbon-mixtures-at-high-pressures-2409.10973"/></url>
<url><loc>https://scifaro.com/en/abs/absolute-standard-hydrogen-electrode-potential-and-redox-potentials-of-atoms-and-molecules-machine-learning-aided-first-principles-calculations-2409.11000</loc><lastmod>2024-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/absolute-standard-hydrogen-electrode-potential-and-redox-potentials-of-atoms-and-molecules-machine-learning-aided-first-principles-calculations-2409.11000"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/absolute-standard-hydrogen-electrode-potential-and-redox-potentials-of-atoms-and-molecules-machine-learning-aided-first-principles-calculations-2409.11000"/></url>
<url><loc>https://scifaro.com/en/abs/duality-of-particle-hole-and-particle-particle-theories-for-strongly-correlated-electronic-systems-2409.11284</loc><lastmod>2024-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/duality-of-particle-hole-and-particle-particle-theories-for-strongly-correlated-electronic-systems-2409.11284"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/duality-of-particle-hole-and-particle-particle-theories-for-strongly-correlated-electronic-systems-2409.11284"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-amide-ketone-mixtures-2-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylacetamide-2-alkanone-systems-at-several-temperatures-application-of-flory-s-model-to-tertiary-amide-n-alkanone-systems-2409.11309</loc><lastmod>2024-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-amide-ketone-mixtures-2-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylacetamide-2-alkanone-systems-at-several-temperatures-application-of-flory-s-model-to-tertiary-amide-n-alkanone-systems-2409.11309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-amide-ketone-mixtures-2-volumetric-speed-of-sound-and-refractive-index-data-for-n-n-dimethylacetamide-2-alkanone-systems-at-several-temperatures-application-of-flory-s-model-to-tertiary-amide-n-alkanone-systems-2409.11309"/></url>
<url><loc>https://scifaro.com/en/abs/manipulating-two-photon-absorption-of-molecules-through-efficient-optimization-of-entangled-light-2409.11368</loc><lastmod>2024-09-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/manipulating-two-photon-absorption-of-molecules-through-efficient-optimization-of-entangled-light-2409.11368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/manipulating-two-photon-absorption-of-molecules-through-efficient-optimization-of-entangled-light-2409.11368"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-electrochemical-co2-reduction-by-bi-based-catalysts-single-crystals-or-mixture-phases-2409.11648</loc><lastmod>2024-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-electrochemical-co2-reduction-by-bi-based-catalysts-single-crystals-or-mixture-phases-2409.11648"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-electrochemical-co2-reduction-by-bi-based-catalysts-single-crystals-or-mixture-phases-2409.11648"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-mixtures-with-strongly-negative-deviations-from-raoult-s-law-xv-permittivities-and-refractive-indices-for-1-alkanol-n-hexylamine-systems-at-293-15-303-15-k-application-of-the-kirkwood-fr-ohlich-model-2409.11801</loc><lastmod>2024-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-with-strongly-negative-deviations-from-raoult-s-law-xv-permittivities-and-refractive-indices-for-1-alkanol-n-hexylamine-systems-at-293-15-303-15-k-application-of-the-kirkwood-fr-ohlich-model-2409.11801"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-with-strongly-negative-deviations-from-raoult-s-law-xv-permittivities-and-refractive-indices-for-1-alkanol-n-hexylamine-systems-at-293-15-303-15-k-application-of-the-kirkwood-fr-ohlich-model-2409.11801"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-ion-structure-on-the-physicochemical-properties-and-gas-absorption-of-surface-active-ionic-liquids-2409.11853</loc><lastmod>2024-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-ion-structure-on-the-physicochemical-properties-and-gas-absorption-of-surface-active-ionic-liquids-2409.11853"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-ion-structure-on-the-physicochemical-properties-and-gas-absorption-of-surface-active-ionic-liquids-2409.11853"/></url>
<url><loc>https://scifaro.com/en/abs/developing-orbital-dependent-corrections-for-the-non-additive-kinetic-energy-in-subsystem-density-functional-theory-2409.11914</loc><lastmod>2025-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/developing-orbital-dependent-corrections-for-the-non-additive-kinetic-energy-in-subsystem-density-functional-theory-2409.11914"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/developing-orbital-dependent-corrections-for-the-non-additive-kinetic-energy-in-subsystem-density-functional-theory-2409.11914"/></url>
<url><loc>https://scifaro.com/en/abs/phase-cycling-and-double-quantum-two-dimensional-electronic-spectroscopy-using-a-common-path-birefringent-interferometer-2409.11959</loc><lastmod>2025-08-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phase-cycling-and-double-quantum-two-dimensional-electronic-spectroscopy-using-a-common-path-birefringent-interferometer-2409.11959"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phase-cycling-and-double-quantum-two-dimensional-electronic-spectroscopy-using-a-common-path-birefringent-interferometer-2409.11959"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-water-radiolysis-with-geant4-dna-impact-of-the-temporal-structure-of-the-irradiation-pulse-under-oxygen-conditions-2409.11993</loc><lastmod>2024-09-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-water-radiolysis-with-geant4-dna-impact-of-the-temporal-structure-of-the-irradiation-pulse-under-oxygen-conditions-2409.11993"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-water-radiolysis-with-geant4-dna-impact-of-the-temporal-structure-of-the-irradiation-pulse-under-oxygen-conditions-2409.11993"/></url>
<url><loc>https://scifaro.com/en/abs/all-in-one-foundational-models-learning-across-quantum-chemical-levels-2409.12015</loc><lastmod>2026-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/all-in-one-foundational-models-learning-across-quantum-chemical-levels-2409.12015"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/all-in-one-foundational-models-learning-across-quantum-chemical-levels-2409.12015"/></url>
<url><loc>https://scifaro.com/en/abs/universality-and-threshold-laws-for-collision-lifetimes-at-ultralow-temperatures-2409.12438</loc><lastmod>2024-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/universality-and-threshold-laws-for-collision-lifetimes-at-ultralow-temperatures-2409.12438"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/universality-and-threshold-laws-for-collision-lifetimes-at-ultralow-temperatures-2409.12438"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-a-fluorinated-benzene-and-a-hydrocarbon-2409.12664</loc><lastmod>2024-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-a-fluorinated-benzene-and-a-hydrocarbon-2409.12664"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-a-fluorinated-benzene-and-a-hydrocarbon-2409.12664"/></url>
<url><loc>https://scifaro.com/en/abs/a-comprehensive-theory-for-relativistic-polaritonic-chemistry-a-four-components-ab-initio-treatment-of-molecular-systems-coupled-to-quantum-fields-2409.12757</loc><lastmod>2025-07-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-comprehensive-theory-for-relativistic-polaritonic-chemistry-a-four-components-ab-initio-treatment-of-molecular-systems-coupled-to-quantum-fields-2409.12757"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-comprehensive-theory-for-relativistic-polaritonic-chemistry-a-four-components-ab-initio-treatment-of-molecular-systems-coupled-to-quantum-fields-2409.12757"/></url>
<url><loc>https://scifaro.com/en/abs/solid-liquid-equilibria-and-excess-enthalpies-in-binary-mixtures-of-acetophenone-with-some-aliphatic-amides-2409.12768</loc><lastmod>2024-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solid-liquid-equilibria-and-excess-enthalpies-in-binary-mixtures-of-acetophenone-with-some-aliphatic-amides-2409.12768"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solid-liquid-equilibria-and-excess-enthalpies-in-binary-mixtures-of-acetophenone-with-some-aliphatic-amides-2409.12768"/></url>
<url><loc>https://scifaro.com/en/abs/rotationally-resolved-spectroscopy-of-a-single-polyatomic-molecule-2409.12955</loc><lastmod>2024-09-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotationally-resolved-spectroscopy-of-a-single-polyatomic-molecule-2409.12955"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotationally-resolved-spectroscopy-of-a-single-polyatomic-molecule-2409.12955"/></url>
<url><loc>https://scifaro.com/en/abs/simple-lipids-form-stable-higher-order-structures-in-concentrated-sulfuric-acid-2409.12982</loc><lastmod>2025-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-lipids-form-stable-higher-order-structures-in-concentrated-sulfuric-acid-2409.12982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-lipids-form-stable-higher-order-structures-in-concentrated-sulfuric-acid-2409.12982"/></url>
<url><loc>https://scifaro.com/en/abs/solid-liquid-equilibria-and-excess-enthalpies-in-binary-mixtures-of-propiophenone-with-some-aliphatic-amides-2409.13277</loc><lastmod>2024-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solid-liquid-equilibria-and-excess-enthalpies-in-binary-mixtures-of-propiophenone-with-some-aliphatic-amides-2409.13277"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solid-liquid-equilibria-and-excess-enthalpies-in-binary-mixtures-of-propiophenone-with-some-aliphatic-amides-2409.13277"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-chlorobenzene-or-bromobenzene-or-1-chloronaphthalene-or-1-2-4-trichlorobenzene-alkane-mixtures-2409.13378</loc><lastmod>2024-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-chlorobenzene-or-bromobenzene-or-1-chloronaphthalene-or-1-2-4-trichlorobenzene-alkane-mixtures-2409.13378"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-chlorobenzene-or-bromobenzene-or-1-chloronaphthalene-or-1-2-4-trichlorobenzene-alkane-mixtures-2409.13378"/></url>
<url><loc>https://scifaro.com/en/abs/trajectory-surface-hopping-with-tight-binding-density-functional-theory-applied-to-molecular-motors-2409.13429</loc><lastmod>2024-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/trajectory-surface-hopping-with-tight-binding-density-functional-theory-applied-to-molecular-motors-2409.13429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/trajectory-surface-hopping-with-tight-binding-density-functional-theory-applied-to-molecular-motors-2409.13429"/></url>
<url><loc>https://scifaro.com/en/abs/local-exchange-correlation-potentials-by-density-inversion-in-solids-2409.13647</loc><lastmod>2025-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/local-exchange-correlation-potentials-by-density-inversion-in-solids-2409.13647"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/local-exchange-correlation-potentials-by-density-inversion-in-solids-2409.13647"/></url>
<url><loc>https://scifaro.com/en/abs/spatial-signatures-of-electron-correlation-in-least-squares-tensor-hyper-contraction-2409.14018</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spatial-signatures-of-electron-correlation-in-least-squares-tensor-hyper-contraction-2409.14018"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spatial-signatures-of-electron-correlation-in-least-squares-tensor-hyper-contraction-2409.14018"/></url>
<url><loc>https://scifaro.com/en/abs/recurrent-neural-networks-for-prediction-of-electronic-excitation-dynamics-2409.14042</loc><lastmod>2024-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/recurrent-neural-networks-for-prediction-of-electronic-excitation-dynamics-2409.14042"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/recurrent-neural-networks-for-prediction-of-electronic-excitation-dynamics-2409.14042"/></url>
<url><loc>https://scifaro.com/en/abs/unveiling-high-selectivity-origin-of-pt-bi-catalysts-for-alkaline-methanol-electrooxidation-via-co-free-pathway-2409.14116</loc><lastmod>2025-07-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unveiling-high-selectivity-origin-of-pt-bi-catalysts-for-alkaline-methanol-electrooxidation-via-co-free-pathway-2409.14116"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unveiling-high-selectivity-origin-of-pt-bi-catalysts-for-alkaline-methanol-electrooxidation-via-co-free-pathway-2409.14116"/></url>
<url><loc>https://scifaro.com/en/abs/scattering-of-co-from-vacant-mose-2-with-o-adsorbates-is-co-2-formed-2409.14362</loc><lastmod>2024-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scattering-of-co-from-vacant-mose-2-with-o-adsorbates-is-co-2-formed-2409.14362"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scattering-of-co-from-vacant-mose-2-with-o-adsorbates-is-co-2-formed-2409.14362"/></url>
<url><loc>https://scifaro.com/en/abs/intrinsically-slow-cooling-of-hot-electrons-in-cdse-nanocrystals-compared-to-cds-2409.14665</loc><lastmod>2024-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intrinsically-slow-cooling-of-hot-electrons-in-cdse-nanocrystals-compared-to-cds-2409.14665"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intrinsically-slow-cooling-of-hot-electrons-in-cdse-nanocrystals-compared-to-cds-2409.14665"/></url>
<url><loc>https://scifaro.com/en/abs/adaptive-kink-filtration-achieving-asymptotic-size-independence-of-path-integral-simulations-utilizing-the-locality-of-interactions-2409.14695</loc><lastmod>2025-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adaptive-kink-filtration-achieving-asymptotic-size-independence-of-path-integral-simulations-utilizing-the-locality-of-interactions-2409.14695"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adaptive-kink-filtration-achieving-asymptotic-size-independence-of-path-integral-simulations-utilizing-the-locality-of-interactions-2409.14695"/></url>
<url><loc>https://scifaro.com/en/abs/site-site-interaction-model-for-alcohol-models-in-two-dimensions-2409.14871</loc><lastmod>2024-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/site-site-interaction-model-for-alcohol-models-in-two-dimensions-2409.14871"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/site-site-interaction-model-for-alcohol-models-in-two-dimensions-2409.14871"/></url>
<url><loc>https://scifaro.com/en/abs/slowly-quenched-high-pressure-glassy-b-2-o-3-at-dft-accuracy-2409.14949</loc><lastmod>2025-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/slowly-quenched-high-pressure-glassy-b-2-o-3-at-dft-accuracy-2409.14949"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/slowly-quenched-high-pressure-glassy-b-2-o-3-at-dft-accuracy-2409.14949"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-on-the-core-excited-states-of-the-allyl-using-cvs-icmrcisd-method-2409.15032</loc><lastmod>2024-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-on-the-core-excited-states-of-the-allyl-using-cvs-icmrcisd-method-2409.15032"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-on-the-core-excited-states-of-the-allyl-using-cvs-icmrcisd-method-2409.15032"/></url>
<url><loc>https://scifaro.com/en/abs/combustion-toolbox-an-open-source-thermochemical-code-for-gas-and-condensed-phase-problems-involving-chemical-equilibrium-2409.15086</loc><lastmod>2026-01-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/combustion-toolbox-an-open-source-thermochemical-code-for-gas-and-condensed-phase-problems-involving-chemical-equilibrium-2409.15086"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/combustion-toolbox-an-open-source-thermochemical-code-for-gas-and-condensed-phase-problems-involving-chemical-equilibrium-2409.15086"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-3-relative-permittivities-of-n-n-dimethylformamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-at-several-temperatures-2409.15208</loc><lastmod>2024-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-3-relative-permittivities-of-n-n-dimethylformamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-at-several-temperatures-2409.15208"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-3-relative-permittivities-of-n-n-dimethylformamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-at-several-temperatures-2409.15208"/></url>
<url><loc>https://scifaro.com/en/abs/orientational-effects-in-mixtures-of-organic-carbonates-with-alkanes-or-1-alkanols-2409.15210</loc><lastmod>2024-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orientational-effects-in-mixtures-of-organic-carbonates-with-alkanes-or-1-alkanols-2409.15210"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orientational-effects-in-mixtures-of-organic-carbonates-with-alkanes-or-1-alkanols-2409.15210"/></url>
<url><loc>https://scifaro.com/en/abs/dissolution-of-sulfur-dioxide-and-nitrogen-monoxide-in-water-2409.15211</loc><lastmod>2024-09-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dissolution-of-sulfur-dioxide-and-nitrogen-monoxide-in-water-2409.15211"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dissolution-of-sulfur-dioxide-and-nitrogen-monoxide-in-water-2409.15211"/></url>
<url><loc>https://scifaro.com/en/abs/ai-and-machine-learning-approaches-for-predicting-nanoparticles-toxicity-the-critical-role-of-physiochemical-properties-2409.15322</loc><lastmod>2024-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ai-and-machine-learning-approaches-for-predicting-nanoparticles-toxicity-the-critical-role-of-physiochemical-properties-2409.15322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ai-and-machine-learning-approaches-for-predicting-nanoparticles-toxicity-the-critical-role-of-physiochemical-properties-2409.15322"/></url>
<url><loc>https://scifaro.com/en/abs/an-informatics-framework-for-the-design-of-sustainable-chemically-recyclable-synthetically-accessible-and-durable-polymers-2409.15354</loc><lastmod>2024-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-informatics-framework-for-the-design-of-sustainable-chemically-recyclable-synthetically-accessible-and-durable-polymers-2409.15354"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-informatics-framework-for-the-design-of-sustainable-chemically-recyclable-synthetically-accessible-and-durable-polymers-2409.15354"/></url>
<url><loc>https://scifaro.com/en/abs/martignac-computational-workflows-for-reproducible-traceable-and-composable-coarse-grained-martini-simulations-2409.15478</loc><lastmod>2024-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/martignac-computational-workflows-for-reproducible-traceable-and-composable-coarse-grained-martini-simulations-2409.15478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/martignac-computational-workflows-for-reproducible-traceable-and-composable-coarse-grained-martini-simulations-2409.15478"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-aromatic-nitriles-2409.16155</loc><lastmod>2024-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-aromatic-nitriles-2409.16155"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-aromatic-nitriles-2409.16155"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-4-relative-permittivities-of-n-n-dimethylacetamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-and-of-n-n-dimethylformamide-aniline-mixtures-2409.16156</loc><lastmod>2024-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-4-relative-permittivities-of-n-n-dimethylacetamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-and-of-n-n-dimethylformamide-aniline-mixtures-2409.16156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-4-relative-permittivities-of-n-n-dimethylacetamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-and-of-n-n-dimethylformamide-aniline-mixtures-2409.16156"/></url>
<url><loc>https://scifaro.com/en/abs/liquid-liquid-equilibria-for-2-hydroxy-benzaldehyde-n-alkane-mixtures-intermolecular-and-proximity-effects-in-systems-containing-hydroxyl-and-aldehyde-groups-2409.16158</loc><lastmod>2024-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/liquid-liquid-equilibria-for-2-hydroxy-benzaldehyde-n-alkane-mixtures-intermolecular-and-proximity-effects-in-systems-containing-hydroxyl-and-aldehyde-groups-2409.16158"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/liquid-liquid-equilibria-for-2-hydroxy-benzaldehyde-n-alkane-mixtures-intermolecular-and-proximity-effects-in-systems-containing-hydroxyl-and-aldehyde-groups-2409.16158"/></url>
<url><loc>https://scifaro.com/en/abs/augur-a-flexible-and-efficient-optimization-algorithm-for-identification-of-optimal-adsorption-sites-2409.16204</loc><lastmod>2024-09-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/augur-a-flexible-and-efficient-optimization-algorithm-for-identification-of-optimal-adsorption-sites-2409.16204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/augur-a-flexible-and-efficient-optimization-algorithm-for-identification-of-optimal-adsorption-sites-2409.16204"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-coulomb-interactions-in-electron-transport-through-a-single-hetero-helicene-molecular-junction-using-scanning-tunneling-microscopy-2409.16485</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-coulomb-interactions-in-electron-transport-through-a-single-hetero-helicene-molecular-junction-using-scanning-tunneling-microscopy-2409.16485"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-coulomb-interactions-in-electron-transport-through-a-single-hetero-helicene-molecular-junction-using-scanning-tunneling-microscopy-2409.16485"/></url>
<url><loc>https://scifaro.com/en/abs/measurement-of-transition-frequencies-and-hyperfine-constants-of-molecular-iodine-at-520-2-nm-2409.16522</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/measurement-of-transition-frequencies-and-hyperfine-constants-of-molecular-iodine-at-520-2-nm-2409.16522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/measurement-of-transition-frequencies-and-hyperfine-constants-of-molecular-iodine-at-520-2-nm-2409.16522"/></url>
<url><loc>https://scifaro.com/en/abs/concurrent-processes-in-the-time-resolved-solvation-and-coulomb-ejection-of-sodium-ions-in-helium-nanodroplets-2409.16842</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/concurrent-processes-in-the-time-resolved-solvation-and-coulomb-ejection-of-sodium-ions-in-helium-nanodroplets-2409.16842"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/concurrent-processes-in-the-time-resolved-solvation-and-coulomb-ejection-of-sodium-ions-in-helium-nanodroplets-2409.16842"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-a-very-strongly-polar-compound-12-systems-with-nitrobenzene-or-1-nitroalkane-and-hydrocarbons-or-1-alkanols-2409.16905</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-a-very-strongly-polar-compound-12-systems-with-nitrobenzene-or-1-nitroalkane-and-hydrocarbons-or-1-alkanols-2409.16905"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-a-very-strongly-polar-compound-12-systems-with-nitrobenzene-or-1-nitroalkane-and-hydrocarbons-or-1-alkanols-2409.16905"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-1-alkanol-strongly-polar-compound-mixtures-from-thermophysical-data-and-the-application-of-the-kirkwood-buff-integrals-and-kirkwood-fr-ohlich-formalisms-2409.16910</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-1-alkanol-strongly-polar-compound-mixtures-from-thermophysical-data-and-the-application-of-the-kirkwood-buff-integrals-and-kirkwood-fr-ohlich-formalisms-2409.16910"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-1-alkanol-strongly-polar-compound-mixtures-from-thermophysical-data-and-the-application-of-the-kirkwood-buff-integrals-and-kirkwood-fr-ohlich-formalisms-2409.16910"/></url>
<url><loc>https://scifaro.com/en/abs/volumetric-and-viscosimetric-measurements-for-methanol-ch-3-o-ch-2-ch-2-o-n-ch-3-n-2-3-4-mixtures-at-293-15-303-15-k-and-atmospheric-pressure-application-of-the-eras-model-2409.16912</loc><lastmod>2024-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/volumetric-and-viscosimetric-measurements-for-methanol-ch-3-o-ch-2-ch-2-o-n-ch-3-n-2-3-4-mixtures-at-293-15-303-15-k-and-atmospheric-pressure-application-of-the-eras-model-2409.16912"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/volumetric-and-viscosimetric-measurements-for-methanol-ch-3-o-ch-2-ch-2-o-n-ch-3-n-2-3-4-mixtures-at-293-15-303-15-k-and-atmospheric-pressure-application-of-the-eras-model-2409.16912"/></url>
<url><loc>https://scifaro.com/en/abs/ensemble-density-functional-theory-of-ground-and-excited-energy-levels-2409.17000</loc><lastmod>2025-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ensemble-density-functional-theory-of-ground-and-excited-energy-levels-2409.17000"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ensemble-density-functional-theory-of-ground-and-excited-energy-levels-2409.17000"/></url>
<url><loc>https://scifaro.com/en/abs/accurate-experimental-p-rho-t-data-of-the-co-2-o-2-binary-system-for-the-development-of-models-for-ccs-processes-2409.17164</loc><lastmod>2024-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accurate-experimental-p-rho-t-data-of-the-co-2-o-2-binary-system-for-the-development-of-models-for-ccs-processes-2409.17164"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accurate-experimental-p-rho-t-data-of-the-co-2-o-2-binary-system-for-the-development-of-models-for-ccs-processes-2409.17164"/></url>
<url><loc>https://scifaro.com/en/abs/modulating-endothermic-singlet-fission-by-controlling-radiative-rates-in-perylene-dimers-2409.17393</loc><lastmod>2024-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modulating-endothermic-singlet-fission-by-controlling-radiative-rates-in-perylene-dimers-2409.17393"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modulating-endothermic-singlet-fission-by-controlling-radiative-rates-in-perylene-dimers-2409.17393"/></url>
<url><loc>https://scifaro.com/en/abs/transferability-of-atom-based-neural-networks-2409.17575</loc><lastmod>2024-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transferability-of-atom-based-neural-networks-2409.17575"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transferability-of-atom-based-neural-networks-2409.17575"/></url>
<url><loc>https://scifaro.com/en/abs/entropy-scaling-for-diffusion-coefficients-in-fluid-mixtures-2409.17615</loc><lastmod>2026-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entropy-scaling-for-diffusion-coefficients-in-fluid-mixtures-2409.17615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entropy-scaling-for-diffusion-coefficients-in-fluid-mixtures-2409.17615"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-mixtures-with-strongly-negative-deviations-from-raoult-s-law-xvi-permittivities-and-refractive-indices-for-1-alkanol-di-n-propylamine-systems-at-293-15-303-15-k-application-of-the-kirkwood-fr-ohlich-model-2409.17923</loc><lastmod>2024-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-with-strongly-negative-deviations-from-raoult-s-law-xvi-permittivities-and-refractive-indices-for-1-alkanol-di-n-propylamine-systems-at-293-15-303-15-k-application-of-the-kirkwood-fr-ohlich-model-2409.17923"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-with-strongly-negative-deviations-from-raoult-s-law-xvi-permittivities-and-refractive-indices-for-1-alkanol-di-n-propylamine-systems-at-293-15-303-15-k-application-of-the-kirkwood-fr-ohlich-model-2409.17923"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-5-excess-molar-enthalpies-of-n-n-dimethylformamide-or-n-n-dimethylacetamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-eras-results-2409.17925</loc><lastmod>2024-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-5-excess-molar-enthalpies-of-n-n-dimethylformamide-or-n-n-dimethylacetamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-eras-results-2409.17925"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-amide-amine-mixtures-5-excess-molar-enthalpies-of-n-n-dimethylformamide-or-n-n-dimethylacetamide-n-propylpropan-1-amine-n-butylbutan-1-amine-butan-1-amine-or-hexan-1-amine-systems-eras-results-2409.17925"/></url>
<url><loc>https://scifaro.com/en/abs/density-speed-of-sound-refractive-index-and-relative-permittivity-of-methanol-propan-1-ol-or-pentan-1-ol-aniline-liquid-mixtures-application-of-the-kirkwood-fr-ohlich-model-2409.17926</loc><lastmod>2024-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-speed-of-sound-refractive-index-and-relative-permittivity-of-methanol-propan-1-ol-or-pentan-1-ol-aniline-liquid-mixtures-application-of-the-kirkwood-fr-ohlich-model-2409.17926"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-speed-of-sound-refractive-index-and-relative-permittivity-of-methanol-propan-1-ol-or-pentan-1-ol-aniline-liquid-mixtures-application-of-the-kirkwood-fr-ohlich-model-2409.17926"/></url>
<url><loc>https://scifaro.com/en/abs/alchemical-harmonic-approximation-based-potential-for-iso-electronic-diatomics-foundational-baseline-for-delta-machine-learning-2409.18007</loc><lastmod>2024-12-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/alchemical-harmonic-approximation-based-potential-for-iso-electronic-diatomics-foundational-baseline-for-delta-machine-learning-2409.18007"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/alchemical-harmonic-approximation-based-potential-for-iso-electronic-diatomics-foundational-baseline-for-delta-machine-learning-2409.18007"/></url>
<url><loc>https://scifaro.com/en/abs/prediction-of-the-infrared-absorbance-intensities-and-frequencies-of-hydrocarbons-a-message-passing-neural-network-approach-2409.18070</loc><lastmod>2024-09-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/prediction-of-the-infrared-absorbance-intensities-and-frequencies-of-hydrocarbons-a-message-passing-neural-network-approach-2409.18070"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/prediction-of-the-infrared-absorbance-intensities-and-frequencies-of-hydrocarbons-a-message-passing-neural-network-approach-2409.18070"/></url>
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<url><loc>https://scifaro.com/en/abs/effect-of-dispersity-on-dynamic-properties-of-polymer-melts-insights-from-coarse-grained-molecular-dynamics-simulations-2409.18315</loc><lastmod>2024-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-dispersity-on-dynamic-properties-of-polymer-melts-insights-from-coarse-grained-molecular-dynamics-simulations-2409.18315"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-dispersity-on-dynamic-properties-of-polymer-melts-insights-from-coarse-grained-molecular-dynamics-simulations-2409.18315"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-truncated-wigner-approximation-theory-of-molecular-exciton-polariton-dynamics-in-optical-cavities-2409.18460</loc><lastmod>2025-03-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-truncated-wigner-approximation-theory-of-molecular-exciton-polariton-dynamics-in-optical-cavities-2409.18460"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-truncated-wigner-approximation-theory-of-molecular-exciton-polariton-dynamics-in-optical-cavities-2409.18460"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-amine-mixtures-systems-formed-by-alkyl-amine-and-ether-or-n-n-dialkylamide-or-ethanenitrile-2409.18526</loc><lastmod>2024-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-amine-mixtures-systems-formed-by-alkyl-amine-and-ether-or-n-n-dialkylamide-or-ethanenitrile-2409.18526"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-amine-mixtures-systems-formed-by-alkyl-amine-and-ether-or-n-n-dialkylamide-or-ethanenitrile-2409.18526"/></url>
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<url><loc>https://scifaro.com/en/abs/a-hidden-chemical-assembly-mechanism-reconstruction-by-reconstruction-cycle-growth-in-hkust-1-mof-layer-synthesis-2409.18666</loc><lastmod>2024-09-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-hidden-chemical-assembly-mechanism-reconstruction-by-reconstruction-cycle-growth-in-hkust-1-mof-layer-synthesis-2409.18666"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-hidden-chemical-assembly-mechanism-reconstruction-by-reconstruction-cycle-growth-in-hkust-1-mof-layer-synthesis-2409.18666"/></url>
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<url><loc>https://scifaro.com/en/abs/addressing-limitations-of-the-endpoint-slippage-analysis-2409.19126</loc><lastmod>2026-02-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/addressing-limitations-of-the-endpoint-slippage-analysis-2409.19126"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/addressing-limitations-of-the-endpoint-slippage-analysis-2409.19126"/></url>
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<url><loc>https://scifaro.com/en/abs/a-simple-and-efficient-equivariant-message-passing-neural-network-model-for-non-local-potential-energy-surface-2409.19864</loc><lastmod>2024-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-simple-and-efficient-equivariant-message-passing-neural-network-model-for-non-local-potential-energy-surface-2409.19864"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-simple-and-efficient-equivariant-message-passing-neural-network-model-for-non-local-potential-energy-surface-2409.19864"/></url>
<url><loc>https://scifaro.com/en/abs/solid-liquid-equilibria-for-the-binary-systems-naphthalene-or-biphenyl-1-tetradecanol-or-1-hexadecanol-2409.20102</loc><lastmod>2024-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solid-liquid-equilibria-for-the-binary-systems-naphthalene-or-biphenyl-1-tetradecanol-or-1-hexadecanol-2409.20102"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solid-liquid-equilibria-for-the-binary-systems-naphthalene-or-biphenyl-1-tetradecanol-or-1-hexadecanol-2409.20102"/></url>
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<url><loc>https://scifaro.com/en/abs/investigation-of-real-fluid-effects-on-nh-3-oxidation-and-blending-characteristics-at-supercritical-conditions-via-high-order-virial-equation-of-state-coupled-with-ab-initio-intermolecular-potentials-2409.20308</loc><lastmod>2024-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/investigation-of-real-fluid-effects-on-nh-3-oxidation-and-blending-characteristics-at-supercritical-conditions-via-high-order-virial-equation-of-state-coupled-with-ab-initio-intermolecular-potentials-2409.20308"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/investigation-of-real-fluid-effects-on-nh-3-oxidation-and-blending-characteristics-at-supercritical-conditions-via-high-order-virial-equation-of-state-coupled-with-ab-initio-intermolecular-potentials-2409.20308"/></url>
<url><loc>https://scifaro.com/en/abs/generalized-convolutional-many-body-distribution-functional-representations-2409.20471</loc><lastmod>2024-10-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generalized-convolutional-many-body-distribution-functional-representations-2409.20471"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generalized-convolutional-many-body-distribution-functional-representations-2409.20471"/></url>
<url><loc>https://scifaro.com/en/abs/uncertainty-informed-screening-for-safer-solvents-used-in-the-synthesis-of-perovskite-via-language-models-2409.20512</loc><lastmod>2024-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/uncertainty-informed-screening-for-safer-solvents-used-in-the-synthesis-of-perovskite-via-language-models-2409.20512"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/uncertainty-informed-screening-for-safer-solvents-used-in-the-synthesis-of-perovskite-via-language-models-2409.20512"/></url>
<url><loc>https://scifaro.com/en/abs/on-mixed-quantum-classical-theory-for-rotationally-inelastic-scattering-of-identical-collision-partners-2409.20525</loc><lastmod>2025-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-mixed-quantum-classical-theory-for-rotationally-inelastic-scattering-of-identical-collision-partners-2409.20525"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-mixed-quantum-classical-theory-for-rotationally-inelastic-scattering-of-identical-collision-partners-2409.20525"/></url>
<url><loc>https://scifaro.com/en/abs/theoretical-study-of-reactivity-indices-and-rough-potential-energy-curves-for-the-dissociation-of-59-fullerendiols-in-gas-phase-and-in-aqueous-solution-with-an-implicit-solvent-model-2410.00413</loc><lastmod>2025-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/theoretical-study-of-reactivity-indices-and-rough-potential-energy-curves-for-the-dissociation-of-59-fullerendiols-in-gas-phase-and-in-aqueous-solution-with-an-implicit-solvent-model-2410.00413"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/theoretical-study-of-reactivity-indices-and-rough-potential-energy-curves-for-the-dissociation-of-59-fullerendiols-in-gas-phase-and-in-aqueous-solution-with-an-implicit-solvent-model-2410.00413"/></url>
<url><loc>https://scifaro.com/en/abs/introduction-to-machine-learning-potentials-for-atomistic-simulations-2410.00626</loc><lastmod>2024-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/introduction-to-machine-learning-potentials-for-atomistic-simulations-2410.00626"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/introduction-to-machine-learning-potentials-for-atomistic-simulations-2410.00626"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-amines-xvii-excess-molar-enthalpy-and-volume-measurements-for-benzylamine-heptane-or-1-alkanol-mixtures-at-298-15-k-application-of-the-disquac-and-eras-models-2410.00799</loc><lastmod>2024-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-amines-xvii-excess-molar-enthalpy-and-volume-measurements-for-benzylamine-heptane-or-1-alkanol-mixtures-at-298-15-k-application-of-the-disquac-and-eras-models-2410.00799"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-containing-amines-xvii-excess-molar-enthalpy-and-volume-measurements-for-benzylamine-heptane-or-1-alkanol-mixtures-at-298-15-k-application-of-the-disquac-and-eras-models-2410.00799"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-interaction-and-molecular-growth-of-a-highly-dipolar-merocyanine-molecule-on-metal-surfaces-a-photoelectron-spectroscopy-study-2410.00855</loc><lastmod>2024-10-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-interaction-and-molecular-growth-of-a-highly-dipolar-merocyanine-molecule-on-metal-surfaces-a-photoelectron-spectroscopy-study-2410.00855"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-interaction-and-molecular-growth-of-a-highly-dipolar-merocyanine-molecule-on-metal-surfaces-a-photoelectron-spectroscopy-study-2410.00855"/></url>
<url><loc>https://scifaro.com/en/abs/anticorrelated-stereodynamics-of-scattering-and-sticking-of-h2-molecules-colliding-with-a-reactive-surface-2410.01005</loc><lastmod>2024-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anticorrelated-stereodynamics-of-scattering-and-sticking-of-h2-molecules-colliding-with-a-reactive-surface-2410.01005"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anticorrelated-stereodynamics-of-scattering-and-sticking-of-h2-molecules-colliding-with-a-reactive-surface-2410.01005"/></url>
<url><loc>https://scifaro.com/en/abs/sea-foam-contains-hemoglycin-from-cosmic-dust-2410.01043</loc><lastmod>2024-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/sea-foam-contains-hemoglycin-from-cosmic-dust-2410.01043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/sea-foam-contains-hemoglycin-from-cosmic-dust-2410.01043"/></url>
<url><loc>https://scifaro.com/en/abs/a-semiclassical-non-adiabatic-phase-space-approach-to-molecular-translations-and-rotations-a-new-picture-of-surface-hopping-and-electronic-inertial-effects-2410.01156</loc><lastmod>2024-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-semiclassical-non-adiabatic-phase-space-approach-to-molecular-translations-and-rotations-a-new-picture-of-surface-hopping-and-electronic-inertial-effects-2410.01156"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-semiclassical-non-adiabatic-phase-space-approach-to-molecular-translations-and-rotations-a-new-picture-of-surface-hopping-and-electronic-inertial-effects-2410.01156"/></url>
<url><loc>https://scifaro.com/en/abs/self-replicating-fuels-via-autocatalytic-molecular-bond-fission-2410.01282</loc><lastmod>2026-02-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-replicating-fuels-via-autocatalytic-molecular-bond-fission-2410.01282"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-replicating-fuels-via-autocatalytic-molecular-bond-fission-2410.01282"/></url>
<url><loc>https://scifaro.com/en/abs/atmospheric-pressure-ammonia-synthesis-on-auru-catalysts-enabled-by-plasmon-controlled-hydrogenation-and-nitrogen-species-desorption-2410.01300</loc><lastmod>2024-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/atmospheric-pressure-ammonia-synthesis-on-auru-catalysts-enabled-by-plasmon-controlled-hydrogenation-and-nitrogen-species-desorption-2410.01300"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/atmospheric-pressure-ammonia-synthesis-on-auru-catalysts-enabled-by-plasmon-controlled-hydrogenation-and-nitrogen-species-desorption-2410.01300"/></url>
<url><loc>https://scifaro.com/en/abs/bending-breaking-and-reconnecting-of-the-electrical-double-layers-at-heterogeneous-electrodes-2410.01339</loc><lastmod>2024-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bending-breaking-and-reconnecting-of-the-electrical-double-layers-at-heterogeneous-electrodes-2410.01339"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bending-breaking-and-reconnecting-of-the-electrical-double-layers-at-heterogeneous-electrodes-2410.01339"/></url>
<url><loc>https://scifaro.com/en/abs/how-nonvariational-are-approximate-coupled-cluster-methods-in-practice-2410.01358</loc><lastmod>2024-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-nonvariational-are-approximate-coupled-cluster-methods-in-practice-2410.01358"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-nonvariational-are-approximate-coupled-cluster-methods-in-practice-2410.01358"/></url>
<url><loc>https://scifaro.com/en/abs/phyllotactic-structures-in-radially-growing-spatial-symmetry-breaking-systems-2410.01596</loc><lastmod>2024-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phyllotactic-structures-in-radially-growing-spatial-symmetry-breaking-systems-2410.01596"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phyllotactic-structures-in-radially-growing-spatial-symmetry-breaking-systems-2410.01596"/></url>
<url><loc>https://scifaro.com/en/abs/short-time-accuracy-and-intra-electron-correlation-for-nonadiabatic-quantum-classical-mapping-approaches-2410.01640</loc><lastmod>2024-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/short-time-accuracy-and-intra-electron-correlation-for-nonadiabatic-quantum-classical-mapping-approaches-2410.01640"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/short-time-accuracy-and-intra-electron-correlation-for-nonadiabatic-quantum-classical-mapping-approaches-2410.01640"/></url>
<url><loc>https://scifaro.com/en/abs/singlet-geminal-wavefunctions-2410.01761</loc><lastmod>2024-10-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/singlet-geminal-wavefunctions-2410.01761"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/singlet-geminal-wavefunctions-2410.01761"/></url>
<url><loc>https://scifaro.com/en/abs/noise-tolerant-force-calculations-in-density-functional-theory-a-surface-integral-approach-for-wavelet-based-methods-2410.02299</loc><lastmod>2025-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/noise-tolerant-force-calculations-in-density-functional-theory-a-surface-integral-approach-for-wavelet-based-methods-2410.02299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/noise-tolerant-force-calculations-in-density-functional-theory-a-surface-integral-approach-for-wavelet-based-methods-2410.02299"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamics-of-mixtures-with-strong-negative-deviations-from-raoult-s-law-xviii-excess-molar-enthalpies-for-the-1-alkanol-cyclohexylamine-systems-at-298-15-k-and-modelling-2410.02679</loc><lastmod>2024-10-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-with-strong-negative-deviations-from-raoult-s-law-xviii-excess-molar-enthalpies-for-the-1-alkanol-cyclohexylamine-systems-at-298-15-k-and-modelling-2410.02679"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamics-of-mixtures-with-strong-negative-deviations-from-raoult-s-law-xviii-excess-molar-enthalpies-for-the-1-alkanol-cyclohexylamine-systems-at-298-15-k-and-modelling-2410.02679"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-ccsd-t-accuracy-at-lower-scaling-with-auxiliary-field-quantum-monte-carlo-2410.02885</loc><lastmod>2025-01-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-ccsd-t-accuracy-at-lower-scaling-with-auxiliary-field-quantum-monte-carlo-2410.02885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-ccsd-t-accuracy-at-lower-scaling-with-auxiliary-field-quantum-monte-carlo-2410.02885"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-potentials-for-redox-chemistry-in-solution-2410.03299</loc><lastmod>2024-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-potentials-for-redox-chemistry-in-solution-2410.03299"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-potentials-for-redox-chemistry-in-solution-2410.03299"/></url>
<url><loc>https://scifaro.com/en/abs/assessing-many-body-methods-on-the-potential-energy-surface-of-the-h-2-2-hydrogen-dimer-2410.03410</loc><lastmod>2024-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/assessing-many-body-methods-on-the-potential-energy-surface-of-the-h-2-2-hydrogen-dimer-2410.03410"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/assessing-many-body-methods-on-the-potential-energy-surface-of-the-h-2-2-hydrogen-dimer-2410.03410"/></url>
<url><loc>https://scifaro.com/en/abs/characterization-of-monosubstituted-benzene-ices-2410.03574</loc><lastmod>2024-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/characterization-of-monosubstituted-benzene-ices-2410.03574"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/characterization-of-monosubstituted-benzene-ices-2410.03574"/></url>
<url><loc>https://scifaro.com/en/abs/time-reversal-symmetry-in-rdmft-and-pccd-with-complex-valued-orbitals-2410.03620</loc><lastmod>2025-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-reversal-symmetry-in-rdmft-and-pccd-with-complex-valued-orbitals-2410.03620"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-reversal-symmetry-in-rdmft-and-pccd-with-complex-valued-orbitals-2410.03620"/></url>
<url><loc>https://scifaro.com/en/abs/scaling-graph-neural-networks-to-large-proteins-2410.03921</loc><lastmod>2026-01-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/scaling-graph-neural-networks-to-large-proteins-2410.03921"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/scaling-graph-neural-networks-to-large-proteins-2410.03921"/></url>
<url><loc>https://scifaro.com/en/abs/adsorption-and-permeation-events-in-molecular-diffusion-2410.03942</loc><lastmod>2025-07-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/adsorption-and-permeation-events-in-molecular-diffusion-2410.03942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/adsorption-and-permeation-events-in-molecular-diffusion-2410.03942"/></url>
<url><loc>https://scifaro.com/en/abs/dziner-rational-inverse-design-of-materials-with-ai-agents-2410.03963</loc><lastmod>2024-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dziner-rational-inverse-design-of-materials-with-ai-agents-2410.03963"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dziner-rational-inverse-design-of-materials-with-ai-agents-2410.03963"/></url>
<url><loc>https://scifaro.com/en/abs/flexible-framework-of-computing-binding-free-energy-using-the-energy-representation-theory-of-solution-2410.04423</loc><lastmod>2025-01-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/flexible-framework-of-computing-binding-free-energy-using-the-energy-representation-theory-of-solution-2410.04423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/flexible-framework-of-computing-binding-free-energy-using-the-energy-representation-theory-of-solution-2410.04423"/></url>
<url><loc>https://scifaro.com/en/abs/milestoning-network-refinement-by-incorporating-experimental-thermodynamic-and-kinetic-data-2410.04486</loc><lastmod>2024-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/milestoning-network-refinement-by-incorporating-experimental-thermodynamic-and-kinetic-data-2410.04486"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/milestoning-network-refinement-by-incorporating-experimental-thermodynamic-and-kinetic-data-2410.04486"/></url>
<url><loc>https://scifaro.com/en/abs/model-for-predicting-adsorption-isotherms-and-the-kinetics-of-adsorption-via-steepest-entropy-ascent-quantum-thermodynamics-2410.04725</loc><lastmod>2024-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/model-for-predicting-adsorption-isotherms-and-the-kinetics-of-adsorption-via-steepest-entropy-ascent-quantum-thermodynamics-2410.04725"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/model-for-predicting-adsorption-isotherms-and-the-kinetics-of-adsorption-via-steepest-entropy-ascent-quantum-thermodynamics-2410.04725"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-sampling-for-machine-learning-electron-density-and-its-response-in-real-space-2410.04977</loc><lastmod>2024-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-sampling-for-machine-learning-electron-density-and-its-response-in-real-space-2410.04977"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-sampling-for-machine-learning-electron-density-and-its-response-in-real-space-2410.04977"/></url>
<url><loc>https://scifaro.com/en/abs/correlation-driven-charge-migration-triggered-by-infrared-multi-photon-ionization-2410.04978</loc><lastmod>2025-08-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/correlation-driven-charge-migration-triggered-by-infrared-multi-photon-ionization-2410.04978"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/correlation-driven-charge-migration-triggered-by-infrared-multi-photon-ionization-2410.04978"/></url>
<url><loc>https://scifaro.com/en/abs/nonadiabatic-quantum-dynamics-of-molecules-scattering-from-metal-surfaces-2410.05142</loc><lastmod>2024-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nonadiabatic-quantum-dynamics-of-molecules-scattering-from-metal-surfaces-2410.05142"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nonadiabatic-quantum-dynamics-of-molecules-scattering-from-metal-surfaces-2410.05142"/></url>
<url><loc>https://scifaro.com/en/abs/steepest-entropy-ascent-framework-for-predicting-arsenic-adsorption-on-graphene-oxide-surfaces-a-case-study-2410.05157</loc><lastmod>2025-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/steepest-entropy-ascent-framework-for-predicting-arsenic-adsorption-on-graphene-oxide-surfaces-a-case-study-2410.05157"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/steepest-entropy-ascent-framework-for-predicting-arsenic-adsorption-on-graphene-oxide-surfaces-a-case-study-2410.05157"/></url>
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<url><loc>https://scifaro.com/en/abs/full-quantum-dynamics-study-for-h-atom-scattering-from-graphene-2410.07246</loc><lastmod>2024-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-quantum-dynamics-study-for-h-atom-scattering-from-graphene-2410.07246"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-quantum-dynamics-study-for-h-atom-scattering-from-graphene-2410.07246"/></url>
<url><loc>https://scifaro.com/en/abs/fragmentation-in-coulomb-explosion-of-hydrocarbon-molecules-2410.07256</loc><lastmod>2024-10-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fragmentation-in-coulomb-explosion-of-hydrocarbon-molecules-2410.07256"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fragmentation-in-coulomb-explosion-of-hydrocarbon-molecules-2410.07256"/></url>
<url><loc>https://scifaro.com/en/abs/completely-multipolar-model-for-many-body-water-ion-and-ion-ion-interactions-2410.08286</loc><lastmod>2024-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/completely-multipolar-model-for-many-body-water-ion-and-ion-ion-interactions-2410.08286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/completely-multipolar-model-for-many-body-water-ion-and-ion-ion-interactions-2410.08286"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-the-dailey-townes-model-chemical-information-from-the-electric-field-gradient-2410.08386</loc><lastmod>2024-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-the-dailey-townes-model-chemical-information-from-the-electric-field-gradient-2410.08386"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-the-dailey-townes-model-chemical-information-from-the-electric-field-gradient-2410.08386"/></url>
<url><loc>https://scifaro.com/en/abs/data-driven-discovery-of-the-origins-of-uv-absorption-in-alpha-3c-protein-2410.08624</loc><lastmod>2024-10-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/data-driven-discovery-of-the-origins-of-uv-absorption-in-alpha-3c-protein-2410.08624"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/data-driven-discovery-of-the-origins-of-uv-absorption-in-alpha-3c-protein-2410.08624"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-constrained-generation-of-diverse-low-bandgap-molecules-with-monte-carlo-tree-search-2410.08833</loc><lastmod>2024-12-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-constrained-generation-of-diverse-low-bandgap-molecules-with-monte-carlo-tree-search-2410.08833"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-constrained-generation-of-diverse-low-bandgap-molecules-with-monte-carlo-tree-search-2410.08833"/></url>
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<url><loc>https://scifaro.com/en/abs/path-integral-monte-carlo-in-a-discrete-variable-representation-with-gibbs-sampling-dipolar-planar-rotor-chain-2410.13633</loc><lastmod>2026-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/path-integral-monte-carlo-in-a-discrete-variable-representation-with-gibbs-sampling-dipolar-planar-rotor-chain-2410.13633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/path-integral-monte-carlo-in-a-discrete-variable-representation-with-gibbs-sampling-dipolar-planar-rotor-chain-2410.13633"/></url>
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<url><loc>https://scifaro.com/en/abs/analyzing-atomic-interactions-in-molecules-as-learned-by-neural-networks-2410.13833</loc><lastmod>2026-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analyzing-atomic-interactions-in-molecules-as-learned-by-neural-networks-2410.13833"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analyzing-atomic-interactions-in-molecules-as-learned-by-neural-networks-2410.13833"/></url>
<url><loc>https://scifaro.com/en/abs/force-switching-and-potential-shifting-lead-to-significant-cutoff-dependence-in-alchemical-free-energies-2410.14187</loc><lastmod>2025-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/force-switching-and-potential-shifting-lead-to-significant-cutoff-dependence-in-alchemical-free-energies-2410.14187"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/force-switching-and-potential-shifting-lead-to-significant-cutoff-dependence-in-alchemical-free-energies-2410.14187"/></url>
<url><loc>https://scifaro.com/en/abs/ultrafast-processes-in-1-2-dichloroethene-measured-with-a-universal-xuv-probe-2410.14322</loc><lastmod>2024-10-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultrafast-processes-in-1-2-dichloroethene-measured-with-a-universal-xuv-probe-2410.14322"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultrafast-processes-in-1-2-dichloroethene-measured-with-a-universal-xuv-probe-2410.14322"/></url>
<url><loc>https://scifaro.com/en/abs/a-bond-based-machine-learning-model-for-molecular-polarizabilities-and-a-priori-raman-spectra-2410.14498</loc><lastmod>2025-04-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-bond-based-machine-learning-model-for-molecular-polarizabilities-and-a-priori-raman-spectra-2410.14498"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-bond-based-machine-learning-model-for-molecular-polarizabilities-and-a-priori-raman-spectra-2410.14498"/></url>
<url><loc>https://scifaro.com/en/abs/excess-density-as-a-descriptor-for-electrolyte-solvent-design-2410.14689</loc><lastmod>2024-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excess-density-as-a-descriptor-for-electrolyte-solvent-design-2410.14689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excess-density-as-a-descriptor-for-electrolyte-solvent-design-2410.14689"/></url>
<url><loc>https://scifaro.com/en/abs/rebind-enhancing-ground-state-molecular-conformation-via-force-based-graph-rewiring-2410.14696</loc><lastmod>2024-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rebind-enhancing-ground-state-molecular-conformation-via-force-based-graph-rewiring-2410.14696"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rebind-enhancing-ground-state-molecular-conformation-via-force-based-graph-rewiring-2410.14696"/></url>
<url><loc>https://scifaro.com/en/abs/coarse-grained-modeling-of-a-metal-organic-framework-polymer-composite-and-its-gas-adsorption-at-the-nanoparticle-level-2410.14708</loc><lastmod>2024-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coarse-grained-modeling-of-a-metal-organic-framework-polymer-composite-and-its-gas-adsorption-at-the-nanoparticle-level-2410.14708"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coarse-grained-modeling-of-a-metal-organic-framework-polymer-composite-and-its-gas-adsorption-at-the-nanoparticle-level-2410.14708"/></url>
<url><loc>https://scifaro.com/en/abs/a-transformer-based-generative-chemical-language-ai-model-for-structural-elucidation-of-organic-compounds-2410.14719</loc><lastmod>2024-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-transformer-based-generative-chemical-language-ai-model-for-structural-elucidation-of-organic-compounds-2410.14719"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-transformer-based-generative-chemical-language-ai-model-for-structural-elucidation-of-organic-compounds-2410.14719"/></url>
<url><loc>https://scifaro.com/en/abs/state-selective-preparation-and-nondestructive-detection-of-trapped-rm-o-2-2410.14832</loc><lastmod>2025-02-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/state-selective-preparation-and-nondestructive-detection-of-trapped-rm-o-2-2410.14832"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/state-selective-preparation-and-nondestructive-detection-of-trapped-rm-o-2-2410.14832"/></url>
<url><loc>https://scifaro.com/en/abs/cryogenic-w-band-electron-spin-resonance-probehead-with-an-integral-cryogenic-low-noise-amplifier-2410.15159</loc><lastmod>2024-11-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cryogenic-w-band-electron-spin-resonance-probehead-with-an-integral-cryogenic-low-noise-amplifier-2410.15159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cryogenic-w-band-electron-spin-resonance-probehead-with-an-integral-cryogenic-low-noise-amplifier-2410.15159"/></url>
<url><loc>https://scifaro.com/en/abs/the-association-of-zn-2-so-4-2-and-mg-2-so-4-2-in-aqueous-mgso-4-znso-4-hybrid-electrolytes-insights-from-all-atom-molecular-dynamics-simulations-molecular-dynamics-simulations-2410.15309</loc><lastmod>2024-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-association-of-zn-2-so-4-2-and-mg-2-so-4-2-in-aqueous-mgso-4-znso-4-hybrid-electrolytes-insights-from-all-atom-molecular-dynamics-simulations-molecular-dynamics-simulations-2410.15309"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-association-of-zn-2-so-4-2-and-mg-2-so-4-2-in-aqueous-mgso-4-znso-4-hybrid-electrolytes-insights-from-all-atom-molecular-dynamics-simulations-molecular-dynamics-simulations-2410.15309"/></url>
<url><loc>https://scifaro.com/en/abs/large-deviation-theory-approach-to-fluctuation-theorems-and-landauer-s-principle-through-heat-redefinition-2410.15725</loc><lastmod>2025-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/large-deviation-theory-approach-to-fluctuation-theorems-and-landauer-s-principle-through-heat-redefinition-2410.15725"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/large-deviation-theory-approach-to-fluctuation-theorems-and-landauer-s-principle-through-heat-redefinition-2410.15725"/></url>
<url><loc>https://scifaro.com/en/abs/simulation-based-inference-of-single-molecule-experiments-2410.15896</loc><lastmod>2024-10-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulation-based-inference-of-single-molecule-experiments-2410.15896"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulation-based-inference-of-single-molecule-experiments-2410.15896"/></url>
<url><loc>https://scifaro.com/en/abs/protein-structure-classification-based-on-x-ray-laser-induced-coulomb-explosion-2410.15934</loc><lastmod>2025-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/protein-structure-classification-based-on-x-ray-laser-induced-coulomb-explosion-2410.15934"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/protein-structure-classification-based-on-x-ray-laser-induced-coulomb-explosion-2410.15934"/></url>
<url><loc>https://scifaro.com/en/abs/partial-orientation-retrieval-of-proteins-from-coulomb-explosions-2410.15965</loc><lastmod>2025-10-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/partial-orientation-retrieval-of-proteins-from-coulomb-explosions-2410.15965"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/partial-orientation-retrieval-of-proteins-from-coulomb-explosions-2410.15965"/></url>
<url><loc>https://scifaro.com/en/abs/integer-linear-programming-for-unsupervised-training-set-selection-in-molecular-machine-learning-2410.16122</loc><lastmod>2025-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/integer-linear-programming-for-unsupervised-training-set-selection-in-molecular-machine-learning-2410.16122"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/integer-linear-programming-for-unsupervised-training-set-selection-in-molecular-machine-learning-2410.16122"/></url>
<url><loc>https://scifaro.com/en/abs/random-spin-committee-approach-for-smooth-interatomic-potentials-2410.16252</loc><lastmod>2024-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/random-spin-committee-approach-for-smooth-interatomic-potentials-2410.16252"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/random-spin-committee-approach-for-smooth-interatomic-potentials-2410.16252"/></url>
<url><loc>https://scifaro.com/en/abs/on-thermodynamic-properties-of-circumacenes-through-zagreb-indices-2410.16313</loc><lastmod>2024-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-thermodynamic-properties-of-circumacenes-through-zagreb-indices-2410.16313"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-thermodynamic-properties-of-circumacenes-through-zagreb-indices-2410.16313"/></url>
<url><loc>https://scifaro.com/en/abs/neural-network-distillation-of-orbital-dependent-density-functional-theory-2410.16408</loc><lastmod>2025-05-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-network-distillation-of-orbital-dependent-density-functional-theory-2410.16408"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-network-distillation-of-orbital-dependent-density-functional-theory-2410.16408"/></url>
<url><loc>https://scifaro.com/en/abs/semiclassical-nonadiabatic-molecular-dynamics-for-molecular-exciton-polaritons-2410.16478</loc><lastmod>2024-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/semiclassical-nonadiabatic-molecular-dynamics-for-molecular-exciton-polaritons-2410.16478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/semiclassical-nonadiabatic-molecular-dynamics-for-molecular-exciton-polaritons-2410.16478"/></url>
<url><loc>https://scifaro.com/en/abs/directing-the-electrode-electrolyte-interface-towards-active-nickel-based-electrocatalysts-for-oxygen-evolution-reaction-2410.16715</loc><lastmod>2024-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/directing-the-electrode-electrolyte-interface-towards-active-nickel-based-electrocatalysts-for-oxygen-evolution-reaction-2410.16715"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/directing-the-electrode-electrolyte-interface-towards-active-nickel-based-electrocatalysts-for-oxygen-evolution-reaction-2410.16715"/></url>
<url><loc>https://scifaro.com/en/abs/chiral-polaritonics-cavity-mediated-enantioselective-excitation-condensation-2410.16861</loc><lastmod>2024-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chiral-polaritonics-cavity-mediated-enantioselective-excitation-condensation-2410.16861"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chiral-polaritonics-cavity-mediated-enantioselective-excitation-condensation-2410.16861"/></url>
<url><loc>https://scifaro.com/en/abs/nuclear-quantum-effects-in-liquid-water-are-negligible-for-structure-but-significant-for-dynamics-2410.17675</loc><lastmod>2024-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nuclear-quantum-effects-in-liquid-water-are-negligible-for-structure-but-significant-for-dynamics-2410.17675"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nuclear-quantum-effects-in-liquid-water-are-negligible-for-structure-but-significant-for-dynamics-2410.17675"/></url>
<url><loc>https://scifaro.com/en/abs/why-does-the-gw-approximation-give-accurate-quasiparticle-energies-the-cancellation-of-vertex-corrections-quantified-2410.17843</loc><lastmod>2024-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/why-does-the-gw-approximation-give-accurate-quasiparticle-energies-the-cancellation-of-vertex-corrections-quantified-2410.17843"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/why-does-the-gw-approximation-give-accurate-quasiparticle-energies-the-cancellation-of-vertex-corrections-quantified-2410.17843"/></url>
<url><loc>https://scifaro.com/en/abs/accuracy-of-charge-densities-in-electronic-structure-calculations-2410.17866</loc><lastmod>2025-03-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accuracy-of-charge-densities-in-electronic-structure-calculations-2410.17866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accuracy-of-charge-densities-in-electronic-structure-calculations-2410.17866"/></url>
<url><loc>https://scifaro.com/en/abs/discovery-of-magnetic-field-line-dependent-anisotropic-chemiresistive-response-in-magnetite-a-new-piece-to-the-puzzle-of-magnetoreception-2410.17990</loc><lastmod>2024-11-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/discovery-of-magnetic-field-line-dependent-anisotropic-chemiresistive-response-in-magnetite-a-new-piece-to-the-puzzle-of-magnetoreception-2410.17990"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/discovery-of-magnetic-field-line-dependent-anisotropic-chemiresistive-response-in-magnetite-a-new-piece-to-the-puzzle-of-magnetoreception-2410.17990"/></url>
<url><loc>https://scifaro.com/en/abs/liquid-vapor-phase-equilibrium-in-molten-aluminum-chloride-alcl3-enabled-by-machine-learning-interatomic-potentials-2410.18009</loc><lastmod>2024-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/liquid-vapor-phase-equilibrium-in-molten-aluminum-chloride-alcl3-enabled-by-machine-learning-interatomic-potentials-2410.18009"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/liquid-vapor-phase-equilibrium-in-molten-aluminum-chloride-alcl3-enabled-by-machine-learning-interatomic-potentials-2410.18009"/></url>
<url><loc>https://scifaro.com/en/abs/eigenvalue-crossings-in-equivariant-families-of-matrices-2410.18068</loc><lastmod>2024-10-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eigenvalue-crossings-in-equivariant-families-of-matrices-2410.18068"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eigenvalue-crossings-in-equivariant-families-of-matrices-2410.18068"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-dynamics-and-machine-learning-unlock-possibilities-in-beauty-design-a-perspective-2410.18101</loc><lastmod>2025-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-dynamics-and-machine-learning-unlock-possibilities-in-beauty-design-a-perspective-2410.18101"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-dynamics-and-machine-learning-unlock-possibilities-in-beauty-design-a-perspective-2410.18101"/></url>
<url><loc>https://scifaro.com/en/abs/owpcp-a-deep-learning-model-to-predict-octanol-water-partition-coefficient-2410.18118</loc><lastmod>2024-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/owpcp-a-deep-learning-model-to-predict-octanol-water-partition-coefficient-2410.18118"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/owpcp-a-deep-learning-model-to-predict-octanol-water-partition-coefficient-2410.18118"/></url>
<url><loc>https://scifaro.com/en/abs/ch-a-radical-formation-in-coulomb-explosion-from-butane-seeded-plasma-generated-with-chirp-controlled-ultrashort-laser-pulses-2410.18121</loc><lastmod>2024-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ch-a-radical-formation-in-coulomb-explosion-from-butane-seeded-plasma-generated-with-chirp-controlled-ultrashort-laser-pulses-2410.18121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ch-a-radical-formation-in-coulomb-explosion-from-butane-seeded-plasma-generated-with-chirp-controlled-ultrashort-laser-pulses-2410.18121"/></url>
<url><loc>https://scifaro.com/en/abs/generative-design-of-functional-metal-complexes-utilizing-the-internal-knowledge-of-large-language-models-2410.18136</loc><lastmod>2024-10-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generative-design-of-functional-metal-complexes-utilizing-the-internal-knowledge-of-large-language-models-2410.18136"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generative-design-of-functional-metal-complexes-utilizing-the-internal-knowledge-of-large-language-models-2410.18136"/></url>
<url><loc>https://scifaro.com/en/abs/phaseless-auxiliary-field-quantum-monte-carlo-method-for-cavity-qed-matter-systems-2410.18838</loc><lastmod>2025-03-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/phaseless-auxiliary-field-quantum-monte-carlo-method-for-cavity-qed-matter-systems-2410.18838"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/phaseless-auxiliary-field-quantum-monte-carlo-method-for-cavity-qed-matter-systems-2410.18838"/></url>
<url><loc>https://scifaro.com/en/abs/an-open-quantum-chemistry-property-database-of-120-kilo-molecules-with-20-million-conformers-2410.19316</loc><lastmod>2024-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-open-quantum-chemistry-property-database-of-120-kilo-molecules-with-20-million-conformers-2410.19316"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-open-quantum-chemistry-property-database-of-120-kilo-molecules-with-20-million-conformers-2410.19316"/></url>
<url><loc>https://scifaro.com/en/abs/electronic-structure-of-norbornadiene-and-quadricyclane-2410.19389</loc><lastmod>2025-10-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electronic-structure-of-norbornadiene-and-quadricyclane-2410.19389"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electronic-structure-of-norbornadiene-and-quadricyclane-2410.19389"/></url>
<url><loc>https://scifaro.com/en/abs/polarizable-water-model-with-ab-initio-neural-network-dynamic-charges-and-spontaneous-charge-transfer-2410.19445</loc><lastmod>2025-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/polarizable-water-model-with-ab-initio-neural-network-dynamic-charges-and-spontaneous-charge-transfer-2410.19445"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/polarizable-water-model-with-ab-initio-neural-network-dynamic-charges-and-spontaneous-charge-transfer-2410.19445"/></url>
<url><loc>https://scifaro.com/en/abs/physics-based-inverse-modeling-of-battery-degradation-with-bayesian-methods-2410.19478</loc><lastmod>2024-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/physics-based-inverse-modeling-of-battery-degradation-with-bayesian-methods-2410.19478"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/physics-based-inverse-modeling-of-battery-degradation-with-bayesian-methods-2410.19478"/></url>
<url><loc>https://scifaro.com/en/abs/binding-memory-of-liquid-molecules-2410.19634</loc><lastmod>2024-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/binding-memory-of-liquid-molecules-2410.19634"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/binding-memory-of-liquid-molecules-2410.19634"/></url>
<url><loc>https://scifaro.com/en/abs/hyperfine-rovibrational-states-of-h-3-in-a-weak-external-magnetic-field-2410.19963</loc><lastmod>2024-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hyperfine-rovibrational-states-of-h-3-in-a-weak-external-magnetic-field-2410.19963"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hyperfine-rovibrational-states-of-h-3-in-a-weak-external-magnetic-field-2410.19963"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-fingerprints-of-ice-surfaces-in-sum-frequency-generation-spectra-a-first-principles-machine-learning-study-2410.19980</loc><lastmod>2024-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-fingerprints-of-ice-surfaces-in-sum-frequency-generation-spectra-a-first-principles-machine-learning-study-2410.19980"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-fingerprints-of-ice-surfaces-in-sum-frequency-generation-spectra-a-first-principles-machine-learning-study-2410.19980"/></url>
<url><loc>https://scifaro.com/en/abs/modulation-of-ionic-current-rectification-in-short-bipolar-nanopores-2410.20360</loc><lastmod>2024-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modulation-of-ionic-current-rectification-in-short-bipolar-nanopores-2410.20360"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modulation-of-ionic-current-rectification-in-short-bipolar-nanopores-2410.20360"/></url>
<url><loc>https://scifaro.com/en/abs/excitation-energy-transfer-between-porphyrin-dyes-on-a-clay-surface-a-study-employing-multifidelity-machine-learning-2410.20551</loc><lastmod>2025-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excitation-energy-transfer-between-porphyrin-dyes-on-a-clay-surface-a-study-employing-multifidelity-machine-learning-2410.20551"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excitation-energy-transfer-between-porphyrin-dyes-on-a-clay-surface-a-study-employing-multifidelity-machine-learning-2410.20551"/></url>
<url><loc>https://scifaro.com/en/abs/mixed-atomistic-implicit-quantum-classical-approach-to-molecular-nanoplasmonics-2410.21168</loc><lastmod>2024-10-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixed-atomistic-implicit-quantum-classical-approach-to-molecular-nanoplasmonics-2410.21168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixed-atomistic-implicit-quantum-classical-approach-to-molecular-nanoplasmonics-2410.21168"/></url>
<url><loc>https://scifaro.com/en/abs/detection-of-nanopores-with-the-scanning-ion-conductance-microscopy-a-simulation-study-2410.21327</loc><lastmod>2024-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/detection-of-nanopores-with-the-scanning-ion-conductance-microscopy-a-simulation-study-2410.21327"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/detection-of-nanopores-with-the-scanning-ion-conductance-microscopy-a-simulation-study-2410.21327"/></url>
<url><loc>https://scifaro.com/en/abs/breaking-the-million-electron-and-1-eflop-s-barriers-biomolecular-scale-ab-initio-molecular-dynamics-using-mp2-potentials-2410.21888</loc><lastmod>2024-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/breaking-the-million-electron-and-1-eflop-s-barriers-biomolecular-scale-ab-initio-molecular-dynamics-using-mp2-potentials-2410.21888"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/breaking-the-million-electron-and-1-eflop-s-barriers-biomolecular-scale-ab-initio-molecular-dynamics-using-mp2-potentials-2410.21888"/></url>
<url><loc>https://scifaro.com/en/abs/realistic-ab-initio-predictions-of-excimer-behavior-under-collective-light-matter-strong-coupling-2410.22043</loc><lastmod>2024-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/realistic-ab-initio-predictions-of-excimer-behavior-under-collective-light-matter-strong-coupling-2410.22043"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/realistic-ab-initio-predictions-of-excimer-behavior-under-collective-light-matter-strong-coupling-2410.22043"/></url>
<url><loc>https://scifaro.com/en/abs/cdte-0-25-se-0-75-quantum-dots-as-efficient-room-temperature-single-photon-source-for-quantum-technology-2410.22053</loc><lastmod>2025-06-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cdte-0-25-se-0-75-quantum-dots-as-efficient-room-temperature-single-photon-source-for-quantum-technology-2410.22053"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cdte-0-25-se-0-75-quantum-dots-as-efficient-room-temperature-single-photon-source-for-quantum-technology-2410.22053"/></url>
<url><loc>https://scifaro.com/en/abs/fast-and-scalable-gpu-accelerated-quantum-chemistry-for-periodic-systems-with-gaussian-orbitals-implementation-and-hybrid-density-functional-theory-calculations-2410.22278</loc><lastmod>2024-10-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fast-and-scalable-gpu-accelerated-quantum-chemistry-for-periodic-systems-with-gaussian-orbitals-implementation-and-hybrid-density-functional-theory-calculations-2410.22278"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fast-and-scalable-gpu-accelerated-quantum-chemistry-for-periodic-systems-with-gaussian-orbitals-implementation-and-hybrid-density-functional-theory-calculations-2410.22278"/></url>
<url><loc>https://scifaro.com/en/abs/capturing-the-elusive-curve-crossing-in-low-lying-states-of-butadiene-with-dressed-tddft-2410.22286</loc><lastmod>2024-12-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/capturing-the-elusive-curve-crossing-in-low-lying-states-of-butadiene-with-dressed-tddft-2410.22286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/capturing-the-elusive-curve-crossing-in-low-lying-states-of-butadiene-with-dressed-tddft-2410.22286"/></url>
<url><loc>https://scifaro.com/en/abs/memory-and-friction-from-the-nanoscale-to-the-macroscale-2410.22588</loc><lastmod>2024-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/memory-and-friction-from-the-nanoscale-to-the-macroscale-2410.22588"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/memory-and-friction-from-the-nanoscale-to-the-macroscale-2410.22588"/></url>
<url><loc>https://scifaro.com/en/abs/transferability-of-the-chemical-bond-based-machine-learning-model-for-dipole-moment-the-ghz-to-thz-dielectric-properties-of-liquid-propylene-glycol-and-polypropylene-glycol-2410.22718</loc><lastmod>2025-04-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transferability-of-the-chemical-bond-based-machine-learning-model-for-dipole-moment-the-ghz-to-thz-dielectric-properties-of-liquid-propylene-glycol-and-polypropylene-glycol-2410.22718"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transferability-of-the-chemical-bond-based-machine-learning-model-for-dipole-moment-the-ghz-to-thz-dielectric-properties-of-liquid-propylene-glycol-and-polypropylene-glycol-2410.22718"/></url>
<url><loc>https://scifaro.com/en/abs/coupled-cluster-theory-for-the-ground-state-and-for-excitations-2410.22798</loc><lastmod>2024-10-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/coupled-cluster-theory-for-the-ground-state-and-for-excitations-2410.22798"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/coupled-cluster-theory-for-the-ground-state-and-for-excitations-2410.22798"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-nonadiabatic-dynamics-eliminating-phase-freedom-of-nonadiabatic-couplings-with-the-state-intraction-state-averaged-spin-restricted-ensemble-referenced-kohn-sham-approach-2410.22801</loc><lastmod>2025-01-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-nonadiabatic-dynamics-eliminating-phase-freedom-of-nonadiabatic-couplings-with-the-state-intraction-state-averaged-spin-restricted-ensemble-referenced-kohn-sham-approach-2410.22801"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-nonadiabatic-dynamics-eliminating-phase-freedom-of-nonadiabatic-couplings-with-the-state-intraction-state-averaged-spin-restricted-ensemble-referenced-kohn-sham-approach-2410.22801"/></url>
<url><loc>https://scifaro.com/en/abs/canonical-polyadic-decomposition-of-the-potential-energy-surface-fitted-by-warm-started-support-vector-regression-2410.23529</loc><lastmod>2024-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/canonical-polyadic-decomposition-of-the-potential-energy-surface-fitted-by-warm-started-support-vector-regression-2410.23529"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/canonical-polyadic-decomposition-of-the-potential-energy-surface-fitted-by-warm-started-support-vector-regression-2410.23529"/></url>
<url><loc>https://scifaro.com/en/abs/zwitterionic-polymer-coatings-with-compositional-gradient-for-stable-and-substrate-independent-biofouling-deterrence-via-all-dry-synthesis-2410.23552</loc><lastmod>2024-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/zwitterionic-polymer-coatings-with-compositional-gradient-for-stable-and-substrate-independent-biofouling-deterrence-via-all-dry-synthesis-2410.23552"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/zwitterionic-polymer-coatings-with-compositional-gradient-for-stable-and-substrate-independent-biofouling-deterrence-via-all-dry-synthesis-2410.23552"/></url>
<url><loc>https://scifaro.com/en/abs/a-generalized-valence-bond-model-for-the-quantum-mechanics-of-bonding-in-sulfur-compounds-a-new-view-of-hypervalency-2410.23593</loc><lastmod>2025-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-generalized-valence-bond-model-for-the-quantum-mechanics-of-bonding-in-sulfur-compounds-a-new-view-of-hypervalency-2410.23593"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-generalized-valence-bond-model-for-the-quantum-mechanics-of-bonding-in-sulfur-compounds-a-new-view-of-hypervalency-2410.23593"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-dynamics-simulation-of-exciton-polariton-transport-2410.23739</loc><lastmod>2024-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-dynamics-simulation-of-exciton-polariton-transport-2410.23739"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-dynamics-simulation-of-exciton-polariton-transport-2410.23739"/></url>
<url><loc>https://scifaro.com/en/abs/the-time-dependent-bivariational-principle-theoretical-foundation-for-real-time-propagation-methods-of-coupled-cluster-type-2410.24192</loc><lastmod>2024-11-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-time-dependent-bivariational-principle-theoretical-foundation-for-real-time-propagation-methods-of-coupled-cluster-type-2410.24192"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-time-dependent-bivariational-principle-theoretical-foundation-for-real-time-propagation-methods-of-coupled-cluster-type-2410.24192"/></url>
<url><loc>https://scifaro.com/en/abs/attaining-high-accuracy-for-charge-transfer-excitations-in-non-covalent-complexes-at-second-order-perturbation-cost-the-importance-of-state-specific-self-consistency-2411.00251</loc><lastmod>2024-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attaining-high-accuracy-for-charge-transfer-excitations-in-non-covalent-complexes-at-second-order-perturbation-cost-the-importance-of-state-specific-self-consistency-2411.00251"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attaining-high-accuracy-for-charge-transfer-excitations-in-non-covalent-complexes-at-second-order-perturbation-cost-the-importance-of-state-specific-self-consistency-2411.00251"/></url>
<url><loc>https://scifaro.com/en/abs/pair-approximating-the-action-for-molecular-rotations-in-path-integral-monte-carlo-2411.00310</loc><lastmod>2026-01-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pair-approximating-the-action-for-molecular-rotations-in-path-integral-monte-carlo-2411.00310"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pair-approximating-the-action-for-molecular-rotations-in-path-integral-monte-carlo-2411.00310"/></url>
<url><loc>https://scifaro.com/en/abs/configuration-weights-in-coupled-cluster-theory-2411.00690</loc><lastmod>2025-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/configuration-weights-in-coupled-cluster-theory-2411.00690"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/configuration-weights-in-coupled-cluster-theory-2411.00690"/></url>
<url><loc>https://scifaro.com/en/abs/numerically-stable-resonating-hartree-fock-2411.00712</loc><lastmod>2025-03-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/numerically-stable-resonating-hartree-fock-2411.00712"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/numerically-stable-resonating-hartree-fock-2411.00712"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-potentials-for-heterogeneous-catalysis-2411.00720</loc><lastmod>2024-11-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-potentials-for-heterogeneous-catalysis-2411.00720"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-potentials-for-heterogeneous-catalysis-2411.00720"/></url>
<url><loc>https://scifaro.com/en/abs/exploiting-the-variational-quantum-eigensolver-for-determining-ground-state-energy-of-protocatechuic-acid-2411.00990</loc><lastmod>2024-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/exploiting-the-variational-quantum-eigensolver-for-determining-ground-state-energy-of-protocatechuic-acid-2411.00990"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/exploiting-the-variational-quantum-eigensolver-for-determining-ground-state-energy-of-protocatechuic-acid-2411.00990"/></url>
<url><loc>https://scifaro.com/en/abs/calculated-state-of-the-art-results-for-solvation-and-ionization-energies-of-thousands-of-organic-molecules-relevant-to-battery-design-2411.00994</loc><lastmod>2025-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/calculated-state-of-the-art-results-for-solvation-and-ionization-energies-of-thousands-of-organic-molecules-relevant-to-battery-design-2411.00994"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/calculated-state-of-the-art-results-for-solvation-and-ionization-energies-of-thousands-of-organic-molecules-relevant-to-battery-design-2411.00994"/></url>
<url><loc>https://scifaro.com/en/abs/decoherence-dynamics-in-molecular-qubits-exponential-gaussian-and-beyond-2411.01037</loc><lastmod>2025-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/decoherence-dynamics-in-molecular-qubits-exponential-gaussian-and-beyond-2411.01037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/decoherence-dynamics-in-molecular-qubits-exponential-gaussian-and-beyond-2411.01037"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-fly-reparametrization-of-pairwise-dispersion-interactions-for-accurate-and-efficient-molecular-dynamics-phase-diagram-of-white-phosphorus-2411.01298</loc><lastmod>2024-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-fly-reparametrization-of-pairwise-dispersion-interactions-for-accurate-and-efficient-molecular-dynamics-phase-diagram-of-white-phosphorus-2411.01298"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-fly-reparametrization-of-pairwise-dispersion-interactions-for-accurate-and-efficient-molecular-dynamics-phase-diagram-of-white-phosphorus-2411.01298"/></url>
<url><loc>https://scifaro.com/en/abs/accelerating-fock-build-via-hybrid-analytical-numerical-integration-2411.01526</loc><lastmod>2024-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/accelerating-fock-build-via-hybrid-analytical-numerical-integration-2411.01526"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/accelerating-fock-build-via-hybrid-analytical-numerical-integration-2411.01526"/></url>
<url><loc>https://scifaro.com/en/abs/spin-migration-in-density-functional-theory-energy-potential-and-density-perspectives-2411.01549</loc><lastmod>2024-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-migration-in-density-functional-theory-energy-potential-and-density-perspectives-2411.01549"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-migration-in-density-functional-theory-energy-potential-and-density-perspectives-2411.01549"/></url>
<url><loc>https://scifaro.com/en/abs/the-role-of-interfaces-and-charge-for-chemical-reactivity-in-microdroplets-2411.01587</loc><lastmod>2024-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-role-of-interfaces-and-charge-for-chemical-reactivity-in-microdroplets-2411.01587"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-role-of-interfaces-and-charge-for-chemical-reactivity-in-microdroplets-2411.01587"/></url>
<url><loc>https://scifaro.com/en/abs/attosecond-coherent-electron-motion-in-a-photoionized-aromatic-molecule-2411.01700</loc><lastmod>2024-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/attosecond-coherent-electron-motion-in-a-photoionized-aromatic-molecule-2411.01700"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/attosecond-coherent-electron-motion-in-a-photoionized-aromatic-molecule-2411.01700"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-adapted-residual-neural-network-diabatization-conical-intersections-in-aniline-photodissociation-2411.01702</loc><lastmod>2024-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-adapted-residual-neural-network-diabatization-conical-intersections-in-aniline-photodissociation-2411.01702"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-adapted-residual-neural-network-diabatization-conical-intersections-in-aniline-photodissociation-2411.01702"/></url>
<url><loc>https://scifaro.com/en/abs/comparative-analysis-of-search-approaches-to-discover-donor-molecules-for-organic-solar-cells-2411.01900</loc><lastmod>2025-07-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/comparative-analysis-of-search-approaches-to-discover-donor-molecules-for-organic-solar-cells-2411.01900"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/comparative-analysis-of-search-approaches-to-discover-donor-molecules-for-organic-solar-cells-2411.01900"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-the-temperature-dependent-cmc-of-surfactant-mixtures-with-graph-neural-networks-2411.02224</loc><lastmod>2024-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-the-temperature-dependent-cmc-of-surfactant-mixtures-with-graph-neural-networks-2411.02224"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-the-temperature-dependent-cmc-of-surfactant-mixtures-with-graph-neural-networks-2411.02224"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-density-functional-theory-for-static-correlation-in-large-molecules-2411.02254</loc><lastmod>2024-11-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-density-functional-theory-for-static-correlation-in-large-molecules-2411.02254"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-density-functional-theory-for-static-correlation-in-large-molecules-2411.02254"/></url>
<url><loc>https://scifaro.com/en/abs/symmetry-breaking-fluctuations-split-the-porphyrin-q-bands-2411.02687</loc><lastmod>2024-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/symmetry-breaking-fluctuations-split-the-porphyrin-q-bands-2411.02687"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/symmetry-breaking-fluctuations-split-the-porphyrin-q-bands-2411.02687"/></url>
<url><loc>https://scifaro.com/en/abs/transcorrelated-methods-applied-to-second-row-elements-2411.03175</loc><lastmod>2024-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transcorrelated-methods-applied-to-second-row-elements-2411.03175"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transcorrelated-methods-applied-to-second-row-elements-2411.03175"/></url>
<url><loc>https://scifaro.com/en/abs/bottom-up-approach-to-scalable-growth-of-molecules-capable-of-optical-cycling-2411.03199</loc><lastmod>2024-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bottom-up-approach-to-scalable-growth-of-molecules-capable-of-optical-cycling-2411.03199"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bottom-up-approach-to-scalable-growth-of-molecules-capable-of-optical-cycling-2411.03199"/></url>
<url><loc>https://scifaro.com/en/abs/automatic-solid-form-classification-in-pharmaceutical-drug-development-2411.03308</loc><lastmod>2024-11-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/automatic-solid-form-classification-in-pharmaceutical-drug-development-2411.03308"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/automatic-solid-form-classification-in-pharmaceutical-drug-development-2411.03308"/></url>
<url><loc>https://scifaro.com/en/abs/disorder-induced-spectral-splitting-versus-rabi-splitting-under-strong-light-matter-coupling-2411.03479</loc><lastmod>2025-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/disorder-induced-spectral-splitting-versus-rabi-splitting-under-strong-light-matter-coupling-2411.03479"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/disorder-induced-spectral-splitting-versus-rabi-splitting-under-strong-light-matter-coupling-2411.03479"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-the-accuracy-of-xps-calculations-exploring-hybrid-basis-set-schemes-for-cvs-eomip-ccsd-calculations-2411.03492</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-the-accuracy-of-xps-calculations-exploring-hybrid-basis-set-schemes-for-cvs-eomip-ccsd-calculations-2411.03492"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-the-accuracy-of-xps-calculations-exploring-hybrid-basis-set-schemes-for-cvs-eomip-ccsd-calculations-2411.03492"/></url>
<url><loc>https://scifaro.com/en/abs/high-dimensional-operator-learning-for-molecular-density-functional-theory-2411.03698</loc><lastmod>2024-11-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/high-dimensional-operator-learning-for-molecular-density-functional-theory-2411.03698"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/high-dimensional-operator-learning-for-molecular-density-functional-theory-2411.03698"/></url>
<url><loc>https://scifaro.com/en/abs/self-consistent-quantum-linear-response-with-a-polarizable-embedding-environment-2411.03852</loc><lastmod>2025-08-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-consistent-quantum-linear-response-with-a-polarizable-embedding-environment-2411.03852"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-consistent-quantum-linear-response-with-a-polarizable-embedding-environment-2411.03852"/></url>
<url><loc>https://scifaro.com/en/abs/diabatic-states-of-charge-transfer-with-constrained-charge-equilibration-2411.04807</loc><lastmod>2024-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diabatic-states-of-charge-transfer-with-constrained-charge-equilibration-2411.04807"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diabatic-states-of-charge-transfer-with-constrained-charge-equilibration-2411.04807"/></url>
<url><loc>https://scifaro.com/en/abs/test-of-the-orbital-based-li3-index-as-a-predictor-of-the-height-of-the-3mlct-to-3mc-transition-state-barrier-for-ru-n-n-3-2-polypyridine-complexes-in-ch3cn-2411.04834</loc><lastmod>2025-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/test-of-the-orbital-based-li3-index-as-a-predictor-of-the-height-of-the-3mlct-to-3mc-transition-state-barrier-for-ru-n-n-3-2-polypyridine-complexes-in-ch3cn-2411.04834"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/test-of-the-orbital-based-li3-index-as-a-predictor-of-the-height-of-the-3mlct-to-3mc-transition-state-barrier-for-ru-n-n-3-2-polypyridine-complexes-in-ch3cn-2411.04834"/></url>
<url><loc>https://scifaro.com/en/abs/thermodynamic-insights-into-the-self-assembly-of-zeolitic-imidazolate-frameworks-from-computer-simulations-2411.04884</loc><lastmod>2024-11-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/thermodynamic-insights-into-the-self-assembly-of-zeolitic-imidazolate-frameworks-from-computer-simulations-2411.04884"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/thermodynamic-insights-into-the-self-assembly-of-zeolitic-imidazolate-frameworks-from-computer-simulations-2411.04884"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-accuracy-and-feature-insights-in-hydration-free-energy-predictions-for-small-molecules-with-machine-learning-2411.05019</loc><lastmod>2024-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-accuracy-and-feature-insights-in-hydration-free-energy-predictions-for-small-molecules-with-machine-learning-2411.05019"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-accuracy-and-feature-insights-in-hydration-free-energy-predictions-for-small-molecules-with-machine-learning-2411.05019"/></url>
<url><loc>https://scifaro.com/en/abs/diagonalization-without-diagonalization-a-direct-optimization-approach-for-solid-state-density-functional-theory-2411.05033</loc><lastmod>2024-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diagonalization-without-diagonalization-a-direct-optimization-approach-for-solid-state-density-functional-theory-2411.05033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diagonalization-without-diagonalization-a-direct-optimization-approach-for-solid-state-density-functional-theory-2411.05033"/></url>
<url><loc>https://scifaro.com/en/abs/disentangling-enhanced-diffusion-and-ballistic-motion-of-excitons-coupled-to-bloch-surface-waves-with-molecular-dynamics-simulations-2411.05168</loc><lastmod>2026-03-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/disentangling-enhanced-diffusion-and-ballistic-motion-of-excitons-coupled-to-bloch-surface-waves-with-molecular-dynamics-simulations-2411.05168"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/disentangling-enhanced-diffusion-and-ballistic-motion-of-excitons-coupled-to-bloch-surface-waves-with-molecular-dynamics-simulations-2411.05168"/></url>
<url><loc>https://scifaro.com/en/abs/multidimensional-quantum-dynamics-with-explicitly-correlated-gaussian-wave-packets-using-rothe-s-method-2411.05459</loc><lastmod>2025-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multidimensional-quantum-dynamics-with-explicitly-correlated-gaussian-wave-packets-using-rothe-s-method-2411.05459"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multidimensional-quantum-dynamics-with-explicitly-correlated-gaussian-wave-packets-using-rothe-s-method-2411.05459"/></url>
<url><loc>https://scifaro.com/en/abs/the-influence-of-geometry-and-specific-electronic-and-nuclear-energy-deposition-on-ion-stimulated-desorption-from-thin-self-supporting-membranes-2411.05525</loc><lastmod>2024-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-influence-of-geometry-and-specific-electronic-and-nuclear-energy-deposition-on-ion-stimulated-desorption-from-thin-self-supporting-membranes-2411.05525"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-influence-of-geometry-and-specific-electronic-and-nuclear-energy-deposition-on-ion-stimulated-desorption-from-thin-self-supporting-membranes-2411.05525"/></url>
<url><loc>https://scifaro.com/en/abs/density-matrix-renormalization-group-approach-based-on-the-coupled-cluster-downfolded-hamiltonians-2411.07325</loc><lastmod>2024-11-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/density-matrix-renormalization-group-approach-based-on-the-coupled-cluster-downfolded-hamiltonians-2411.07325"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/density-matrix-renormalization-group-approach-based-on-the-coupled-cluster-downfolded-hamiltonians-2411.07325"/></url>
<url><loc>https://scifaro.com/en/abs/two-component-relativistic-equation-of-motion-coupled-cluster-for-electron-ionization-2411.07341</loc><lastmod>2025-01-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-component-relativistic-equation-of-motion-coupled-cluster-for-electron-ionization-2411.07341"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-component-relativistic-equation-of-motion-coupled-cluster-for-electron-ionization-2411.07341"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-implementation-of-the-random-phase-approximation-with-domain-based-local-pair-natural-orbitals-2411.07352</loc><lastmod>2025-08-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-implementation-of-the-random-phase-approximation-with-domain-based-local-pair-natural-orbitals-2411.07352"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-implementation-of-the-random-phase-approximation-with-domain-based-local-pair-natural-orbitals-2411.07352"/></url>
<url><loc>https://scifaro.com/en/abs/parallel-multi-coordinate-descent-methods-for-full-configuration-interaction-2411.07565</loc><lastmod>2025-01-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/parallel-multi-coordinate-descent-methods-for-full-configuration-interaction-2411.07565"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/parallel-multi-coordinate-descent-methods-for-full-configuration-interaction-2411.07565"/></url>
<url><loc>https://scifaro.com/en/abs/real-time-propagation-of-adaptive-sampling-selected-configuration-interaction-wave-function-2411.07615</loc><lastmod>2025-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-time-propagation-of-adaptive-sampling-selected-configuration-interaction-wave-function-2411.07615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-time-propagation-of-adaptive-sampling-selected-configuration-interaction-wave-function-2411.07615"/></url>
<url><loc>https://scifaro.com/en/abs/stochastic-resonance-in-vibrational-polariton-chemistry-2411.07616</loc><lastmod>2025-01-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/stochastic-resonance-in-vibrational-polariton-chemistry-2411.07616"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/stochastic-resonance-in-vibrational-polariton-chemistry-2411.07616"/></url>
<url><loc>https://scifaro.com/en/abs/mdrefine-a-python-package-for-refining-molecular-dynamics-trajectories-with-experimental-data-2411.07798</loc><lastmod>2025-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mdrefine-a-python-package-for-refining-molecular-dynamics-trajectories-with-experimental-data-2411.07798"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mdrefine-a-python-package-for-refining-molecular-dynamics-trajectories-with-experimental-data-2411.07798"/></url>
<url><loc>https://scifaro.com/en/abs/impact-of-dipole-self-energy-on-cavity-induced-nonadiabatic-dynamics-2411.07831</loc><lastmod>2025-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/impact-of-dipole-self-energy-on-cavity-induced-nonadiabatic-dynamics-2411.07831"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/impact-of-dipole-self-energy-on-cavity-induced-nonadiabatic-dynamics-2411.07831"/></url>
<url><loc>https://scifaro.com/en/abs/enzymatic-mpemba-effect-slowing-of-biochemical-reactions-by-increasing-enzyme-concentration-2411.08058</loc><lastmod>2024-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enzymatic-mpemba-effect-slowing-of-biochemical-reactions-by-increasing-enzyme-concentration-2411.08058"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enzymatic-mpemba-effect-slowing-of-biochemical-reactions-by-increasing-enzyme-concentration-2411.08058"/></url>
<url><loc>https://scifaro.com/en/abs/h-cmd-an-efficient-hybrid-fast-centroid-and-quasi-centroid-molecular-dynamics-method-for-the-simulation-of-vibrational-spectra-2411.08065</loc><lastmod>2025-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/h-cmd-an-efficient-hybrid-fast-centroid-and-quasi-centroid-molecular-dynamics-method-for-the-simulation-of-vibrational-spectra-2411.08065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/h-cmd-an-efficient-hybrid-fast-centroid-and-quasi-centroid-molecular-dynamics-method-for-the-simulation-of-vibrational-spectra-2411.08065"/></url>
<url><loc>https://scifaro.com/en/abs/determining-minimum-energy-conical-intersections-by-enveloping-the-seam-exploring-ground-and-excited-state-intersections-in-coupled-cluster-theory-2411.08207</loc><lastmod>2024-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/determining-minimum-energy-conical-intersections-by-enveloping-the-seam-exploring-ground-and-excited-state-intersections-in-coupled-cluster-theory-2411.08207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/determining-minimum-energy-conical-intersections-by-enveloping-the-seam-exploring-ground-and-excited-state-intersections-in-coupled-cluster-theory-2411.08207"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-failures-in-electronic-structure-methods-arising-from-the-geometric-phase-effect-2411.08209</loc><lastmod>2025-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-failures-in-electronic-structure-methods-arising-from-the-geometric-phase-effect-2411.08209"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-failures-in-electronic-structure-methods-arising-from-the-geometric-phase-effect-2411.08209"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-electrodynamic-corrections-for-molecules-vacuum-polarisation-and-electron-self-energy-in-a-two-component-relativistic-framework-2411.08213</loc><lastmod>2024-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-electrodynamic-corrections-for-molecules-vacuum-polarisation-and-electron-self-energy-in-a-two-component-relativistic-framework-2411.08213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-electrodynamic-corrections-for-molecules-vacuum-polarisation-and-electron-self-energy-in-a-two-component-relativistic-framework-2411.08213"/></url>
<url><loc>https://scifaro.com/en/abs/cholesky-decomposition-and-the-second-derivative-two-electron-integrals-required-for-the-computation-of-magnetizabilities-using-gauge-including-atomic-orbitals-2411.08226</loc><lastmod>2024-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/cholesky-decomposition-and-the-second-derivative-two-electron-integrals-required-for-the-computation-of-magnetizabilities-using-gauge-including-atomic-orbitals-2411.08226"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/cholesky-decomposition-and-the-second-derivative-two-electron-integrals-required-for-the-computation-of-magnetizabilities-using-gauge-including-atomic-orbitals-2411.08226"/></url>
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<url><loc>https://scifaro.com/en/abs/machine-learning-based-enhancements-of-empirical-energy-functions-structure-dynamics-and-spectroscopy-of-modified-benzenes-2411.08831</loc><lastmod>2024-11-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-based-enhancements-of-empirical-energy-functions-structure-dynamics-and-spectroscopy-of-modified-benzenes-2411.08831"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-based-enhancements-of-empirical-energy-functions-structure-dynamics-and-spectroscopy-of-modified-benzenes-2411.08831"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-h-atom-abstractions-from-c1-c4-alcohols-aldehydes-and-ethers-by-no2-ab-initio-and-comprehensive-kinetic-modeling-2411.09207</loc><lastmod>2024-11-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-h-atom-abstractions-from-c1-c4-alcohols-aldehydes-and-ethers-by-no2-ab-initio-and-comprehensive-kinetic-modeling-2411.09207"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-h-atom-abstractions-from-c1-c4-alcohols-aldehydes-and-ethers-by-no2-ab-initio-and-comprehensive-kinetic-modeling-2411.09207"/></url>
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<url><loc>https://scifaro.com/en/abs/nep-mb-pol-a-unified-machine-learned-framework-for-fast-and-accurate-prediction-of-water-s-thermodynamic-and-transport-properties-2411.09631</loc><lastmod>2025-08-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/nep-mb-pol-a-unified-machine-learned-framework-for-fast-and-accurate-prediction-of-water-s-thermodynamic-and-transport-properties-2411.09631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/nep-mb-pol-a-unified-machine-learned-framework-for-fast-and-accurate-prediction-of-water-s-thermodynamic-and-transport-properties-2411.09631"/></url>
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<url><loc>https://scifaro.com/en/abs/linear-response-pccd-based-methods-lr-pccd-and-lr-pccd-s-approaches-for-the-efficient-and-reliable-modeling-of-excited-state-properties-2411.10239</loc><lastmod>2025-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-response-pccd-based-methods-lr-pccd-and-lr-pccd-s-approaches-for-the-efficient-and-reliable-modeling-of-excited-state-properties-2411.10239"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-response-pccd-based-methods-lr-pccd-and-lr-pccd-s-approaches-for-the-efficient-and-reliable-modeling-of-excited-state-properties-2411.10239"/></url>
<url><loc>https://scifaro.com/en/abs/simulating-ionized-states-in-realistic-chemical-environments-with-algebraic-diagrammatic-construction-theory-and-polarizable-embedding-2411.10550</loc><lastmod>2025-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-ionized-states-in-realistic-chemical-environments-with-algebraic-diagrammatic-construction-theory-and-polarizable-embedding-2411.10550"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-ionized-states-in-realistic-chemical-environments-with-algebraic-diagrammatic-construction-theory-and-polarizable-embedding-2411.10550"/></url>
<url><loc>https://scifaro.com/en/abs/quantum-chemical-and-trajectory-surface-hopping-molecular-dynamics-study-of-iodine-based-bodipy-photosensitizer-2411.10893</loc><lastmod>2025-01-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-chemical-and-trajectory-surface-hopping-molecular-dynamics-study-of-iodine-based-bodipy-photosensitizer-2411.10893"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-chemical-and-trajectory-surface-hopping-molecular-dynamics-study-of-iodine-based-bodipy-photosensitizer-2411.10893"/></url>
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<url><loc>https://scifaro.com/en/abs/extension-of-the-active-orbital-based-and-adaptive-cc-p-q-approaches-to-excited-electronic-states-application-to-potential-cuts-of-water-2411.11245</loc><lastmod>2025-01-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extension-of-the-active-orbital-based-and-adaptive-cc-p-q-approaches-to-excited-electronic-states-application-to-potential-cuts-of-water-2411.11245"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extension-of-the-active-orbital-based-and-adaptive-cc-p-q-approaches-to-excited-electronic-states-application-to-potential-cuts-of-water-2411.11245"/></url>
<url><loc>https://scifaro.com/en/abs/mixpi-mixed-time-slicing-path-integral-software-for-quantized-molecular-dynamics-simulations-2411.11988</loc><lastmod>2024-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/mixpi-mixed-time-slicing-path-integral-software-for-quantized-molecular-dynamics-simulations-2411.11988"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/mixpi-mixed-time-slicing-path-integral-software-for-quantized-molecular-dynamics-simulations-2411.11988"/></url>
<url><loc>https://scifaro.com/en/abs/post-ccsd-t-corrections-in-the-s66-noncovalent-interactions-benchmark-2411.12004</loc><lastmod>2025-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/post-ccsd-t-corrections-in-the-s66-noncovalent-interactions-benchmark-2411.12004"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/post-ccsd-t-corrections-in-the-s66-noncovalent-interactions-benchmark-2411.12004"/></url>
<url><loc>https://scifaro.com/en/abs/a-polarizable-casscf-mm-approach-using-the-interface-between-openmmpol-library-and-cfour-2411.12489</loc><lastmod>2024-11-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-polarizable-casscf-mm-approach-using-the-interface-between-openmmpol-library-and-cfour-2411.12489"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-polarizable-casscf-mm-approach-using-the-interface-between-openmmpol-library-and-cfour-2411.12489"/></url>
<url><loc>https://scifaro.com/en/abs/when-theory-meets-experiment-what-does-it-take-to-accurately-predict-1-h-nmr-dipolar-relaxation-rates-in-neat-liquid-water-from-theory-2411.12545</loc><lastmod>2025-03-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/when-theory-meets-experiment-what-does-it-take-to-accurately-predict-1-h-nmr-dipolar-relaxation-rates-in-neat-liquid-water-from-theory-2411.12545"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/when-theory-meets-experiment-what-does-it-take-to-accurately-predict-1-h-nmr-dipolar-relaxation-rates-in-neat-liquid-water-from-theory-2411.12545"/></url>
<url><loc>https://scifaro.com/en/abs/anomalous-propagators-and-the-particle-particle-channel-bethe-salpeter-equation-2411.13167</loc><lastmod>2025-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/anomalous-propagators-and-the-particle-particle-channel-bethe-salpeter-equation-2411.13167"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/anomalous-propagators-and-the-particle-particle-channel-bethe-salpeter-equation-2411.13167"/></url>
<url><loc>https://scifaro.com/en/abs/the-vdzp-basis-set-is-effective-for-many-density-functionals-2411.13253</loc><lastmod>2024-11-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-vdzp-basis-set-is-effective-for-many-density-functionals-2411.13253"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-vdzp-basis-set-is-effective-for-many-density-functionals-2411.13253"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-dielectrics-interfacial-water-polarization-governs-graphene-based-electrochemical-interfaces-2411.13747</loc><lastmod>2025-05-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-dielectrics-interfacial-water-polarization-governs-graphene-based-electrochemical-interfaces-2411.13747"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-dielectrics-interfacial-water-polarization-governs-graphene-based-electrochemical-interfaces-2411.13747"/></url>
<url><loc>https://scifaro.com/en/abs/a-phase-space-electronic-hamiltonian-for-molecules-in-a-static-magnetic-field-i-conservation-of-total-pseudomomentum-and-angular-momentum-2411.13866</loc><lastmod>2024-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-phase-space-electronic-hamiltonian-for-molecules-in-a-static-magnetic-field-i-conservation-of-total-pseudomomentum-and-angular-momentum-2411.13866"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-phase-space-electronic-hamiltonian-for-molecules-in-a-static-magnetic-field-i-conservation-of-total-pseudomomentum-and-angular-momentum-2411.13866"/></url>
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<url><loc>https://scifaro.com/en/abs/the-bigger-the-better-accurate-molecular-potential-energy-surfaces-from-minimalist-neural-networks-2411.18121</loc><lastmod>2024-11-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-bigger-the-better-accurate-molecular-potential-energy-surfaces-from-minimalist-neural-networks-2411.18121"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-bigger-the-better-accurate-molecular-potential-energy-surfaces-from-minimalist-neural-networks-2411.18121"/></url>
<url><loc>https://scifaro.com/en/abs/low-temperature-synthesis-of-weakly-confined-carbyne-inside-single-walled-carbon-nanotubes-2411.18899</loc><lastmod>2024-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/low-temperature-synthesis-of-weakly-confined-carbyne-inside-single-walled-carbon-nanotubes-2411.18899"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/low-temperature-synthesis-of-weakly-confined-carbyne-inside-single-walled-carbon-nanotubes-2411.18899"/></url>
<url><loc>https://scifaro.com/en/abs/hierarchical-framework-for-retrosynthesis-prediction-with-enhanced-reaction-center-localization-2411.19503</loc><lastmod>2024-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/hierarchical-framework-for-retrosynthesis-prediction-with-enhanced-reaction-center-localization-2411.19503"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/hierarchical-framework-for-retrosynthesis-prediction-with-enhanced-reaction-center-localization-2411.19503"/></url>
<url><loc>https://scifaro.com/en/abs/openqdc-open-quantum-data-commons-2411.19629</loc><lastmod>2024-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/openqdc-open-quantum-data-commons-2411.19629"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/openqdc-open-quantum-data-commons-2411.19629"/></url>
<url><loc>https://scifaro.com/en/abs/neural-network-potential-with-multi-resolution-approach-enables-accurate-prediction-of-reaction-free-energies-in-solution-2411.19728</loc><lastmod>2025-08-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/neural-network-potential-with-multi-resolution-approach-enables-accurate-prediction-of-reaction-free-energies-in-solution-2411.19728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/neural-network-potential-with-multi-resolution-approach-enables-accurate-prediction-of-reaction-free-energies-in-solution-2411.19728"/></url>
<url><loc>https://scifaro.com/en/abs/basis-set-incompleteness-errors-in-fixed-node-diffusion-monte-carlo-calculations-on-non-covalent-interactions-2412.00368</loc><lastmod>2025-09-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/basis-set-incompleteness-errors-in-fixed-node-diffusion-monte-carlo-calculations-on-non-covalent-interactions-2412.00368"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/basis-set-incompleteness-errors-in-fixed-node-diffusion-monte-carlo-calculations-on-non-covalent-interactions-2412.00368"/></url>
<url><loc>https://scifaro.com/en/abs/imaging-the-photochemistry-of-the-hydrogen-bonded-heptazine-water-complex-with-femtosecond-time-resolved-spectroscopy-a-computational-study-2412.00400</loc><lastmod>2024-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imaging-the-photochemistry-of-the-hydrogen-bonded-heptazine-water-complex-with-femtosecond-time-resolved-spectroscopy-a-computational-study-2412.00400"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imaging-the-photochemistry-of-the-hydrogen-bonded-heptazine-water-complex-with-femtosecond-time-resolved-spectroscopy-a-computational-study-2412.00400"/></url>
<url><loc>https://scifaro.com/en/abs/extending-the-atomic-decomposition-and-many-body-representation-a-chemistry-motivated-monomer-centered-approach-for-machine-learning-potentials-2412.00522</loc><lastmod>2025-05-20</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extending-the-atomic-decomposition-and-many-body-representation-a-chemistry-motivated-monomer-centered-approach-for-machine-learning-potentials-2412.00522"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extending-the-atomic-decomposition-and-many-body-representation-a-chemistry-motivated-monomer-centered-approach-for-machine-learning-potentials-2412.00522"/></url>
<url><loc>https://scifaro.com/en/abs/real-time-tracking-the-energy-flow-in-cluster-formation-2412.01458</loc><lastmod>2024-12-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/real-time-tracking-the-energy-flow-in-cluster-formation-2412.01458"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/real-time-tracking-the-energy-flow-in-cluster-formation-2412.01458"/></url>
<url><loc>https://scifaro.com/en/abs/beyond-quasi-particle-self-consistent-gw-for-molecules-with-vertex-corrections-2412.01581</loc><lastmod>2025-02-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/beyond-quasi-particle-self-consistent-gw-for-molecules-with-vertex-corrections-2412.01581"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/beyond-quasi-particle-self-consistent-gw-for-molecules-with-vertex-corrections-2412.01581"/></url>
<url><loc>https://scifaro.com/en/abs/influence-of-light-temperature-and-iron-oxidation-state-on-the-dissolution-rate-of-combusted-iron-particles-in-oxalic-acid-2412.01689</loc><lastmod>2025-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/influence-of-light-temperature-and-iron-oxidation-state-on-the-dissolution-rate-of-combusted-iron-particles-in-oxalic-acid-2412.01689"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/influence-of-light-temperature-and-iron-oxidation-state-on-the-dissolution-rate-of-combusted-iron-particles-in-oxalic-acid-2412.01689"/></url>
<url><loc>https://scifaro.com/en/abs/pooling-solvent-mixtures-for-solvation-free-energy-predictions-2412.01982</loc><lastmod>2024-12-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/pooling-solvent-mixtures-for-solvation-free-energy-predictions-2412.01982"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/pooling-solvent-mixtures-for-solvation-free-energy-predictions-2412.01982"/></url>
<url><loc>https://scifaro.com/en/abs/ultra-low-cost-fabrication-of-homogeneous-alginate-hydrogel-microspheres-in-symmetry-designed-microfluidic-device-2412.02404</loc><lastmod>2024-12-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ultra-low-cost-fabrication-of-homogeneous-alginate-hydrogel-microspheres-in-symmetry-designed-microfluidic-device-2412.02404"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ultra-low-cost-fabrication-of-homogeneous-alginate-hydrogel-microspheres-in-symmetry-designed-microfluidic-device-2412.02404"/></url>
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<url><loc>https://scifaro.com/en/abs/approximations-of-the-iterative-stockholder-analysis-scheme-using-exponential-basis-functions-2412.05079</loc><lastmod>2025-07-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/approximations-of-the-iterative-stockholder-analysis-scheme-using-exponential-basis-functions-2412.05079"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/approximations-of-the-iterative-stockholder-analysis-scheme-using-exponential-basis-functions-2412.05079"/></url>
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<url><loc>https://scifaro.com/en/abs/transcorrelated-theory-with-pseudopotentials-2412.05885</loc><lastmod>2025-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/transcorrelated-theory-with-pseudopotentials-2412.05885"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/transcorrelated-theory-with-pseudopotentials-2412.05885"/></url>
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<url><loc>https://scifaro.com/en/abs/photoelectron-circular-dichroism-of-aqueous-phase-alanine-2412.08729</loc><lastmod>2026-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photoelectron-circular-dichroism-of-aqueous-phase-alanine-2412.08729"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photoelectron-circular-dichroism-of-aqueous-phase-alanine-2412.08729"/></url>
<url><loc>https://scifaro.com/en/abs/enhancing-hydrovoltaic-power-generation-through-coupled-heat-and-light-driven-surface-charge-dynamics-2412.08953</loc><lastmod>2025-11-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhancing-hydrovoltaic-power-generation-through-coupled-heat-and-light-driven-surface-charge-dynamics-2412.08953"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhancing-hydrovoltaic-power-generation-through-coupled-heat-and-light-driven-surface-charge-dynamics-2412.08953"/></url>
<url><loc>https://scifaro.com/en/abs/relevant-hidden-and-frustrated-information-in-high-dimensional-analyses-of-complex-dynamical-systems-with-internal-noise-2412.09412</loc><lastmod>2025-12-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relevant-hidden-and-frustrated-information-in-high-dimensional-analyses-of-complex-dynamical-systems-with-internal-noise-2412.09412"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relevant-hidden-and-frustrated-information-in-high-dimensional-analyses-of-complex-dynamical-systems-with-internal-noise-2412.09412"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-photoisomerization-with-hybrid-metallodielectric-cavities-based-on-mode-interference-2412.10123</loc><lastmod>2025-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-photoisomerization-with-hybrid-metallodielectric-cavities-based-on-mode-interference-2412.10123"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-photoisomerization-with-hybrid-metallodielectric-cavities-based-on-mode-interference-2412.10123"/></url>
<url><loc>https://scifaro.com/en/abs/learning-radical-excited-states-from-sparse-data-2412.10149</loc><lastmod>2025-06-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/learning-radical-excited-states-from-sparse-data-2412.10149"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/learning-radical-excited-states-from-sparse-data-2412.10149"/></url>
<url><loc>https://scifaro.com/en/abs/dynamic-nuclear-polarization-mechanisms-using-tempol-and-trityl-ox063-radicals-at-1-t-and-77-k-2412.10325</loc><lastmod>2024-12-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dynamic-nuclear-polarization-mechanisms-using-tempol-and-trityl-ox063-radicals-at-1-t-and-77-k-2412.10325"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dynamic-nuclear-polarization-mechanisms-using-tempol-and-trityl-ox063-radicals-at-1-t-and-77-k-2412.10325"/></url>
<url><loc>https://scifaro.com/en/abs/generating-minimum-free-energy-paths-with-denoising-diffusion-probabilistic-models-2412.10409</loc><lastmod>2024-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/generating-minimum-free-energy-paths-with-denoising-diffusion-probabilistic-models-2412.10409"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/generating-minimum-free-energy-paths-with-denoising-diffusion-probabilistic-models-2412.10409"/></url>
<url><loc>https://scifaro.com/en/abs/double-ionization-potential-equation-of-motion-coupled-cluster-approach-with-full-inclusion-of-4-hole-2-particle-excitations-and-three-body-clusters-2412.10688</loc><lastmod>2025-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/double-ionization-potential-equation-of-motion-coupled-cluster-approach-with-full-inclusion-of-4-hole-2-particle-excitations-and-three-body-clusters-2412.10688"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/double-ionization-potential-equation-of-motion-coupled-cluster-approach-with-full-inclusion-of-4-hole-2-particle-excitations-and-three-body-clusters-2412.10688"/></url>
<url><loc>https://scifaro.com/en/abs/general-order-open-shell-coupled-cluster-method-with-partial-spin-adaptation-ii-further-formulations-simplifications-implementations-and-numerical-results-2412.11029</loc><lastmod>2025-01-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/general-order-open-shell-coupled-cluster-method-with-partial-spin-adaptation-ii-further-formulations-simplifications-implementations-and-numerical-results-2412.11029"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/general-order-open-shell-coupled-cluster-method-with-partial-spin-adaptation-ii-further-formulations-simplifications-implementations-and-numerical-results-2412.11029"/></url>
<url><loc>https://scifaro.com/en/abs/deep-learning-aided-multi-objective-optimization-and-multi-criteria-decision-making-in-thermal-cracking-process-for-olefines-production-2412.11035</loc><lastmod>2024-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deep-learning-aided-multi-objective-optimization-and-multi-criteria-decision-making-in-thermal-cracking-process-for-olefines-production-2412.11035"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deep-learning-aided-multi-objective-optimization-and-multi-criteria-decision-making-in-thermal-cracking-process-for-olefines-production-2412.11035"/></url>
<url><loc>https://scifaro.com/en/abs/electrostatic-forces-from-reactive-molecular-orbitals-driving-chemical-reactions-2412.11361</loc><lastmod>2024-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrostatic-forces-from-reactive-molecular-orbitals-driving-chemical-reactions-2412.11361"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrostatic-forces-from-reactive-molecular-orbitals-driving-chemical-reactions-2412.11361"/></url>
<url><loc>https://scifaro.com/en/abs/leveraging-machine-learning-to-overcome-limitations-in-quantum-algorithms-2412.11405</loc><lastmod>2024-12-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/leveraging-machine-learning-to-overcome-limitations-in-quantum-algorithms-2412.11405"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/leveraging-machine-learning-to-overcome-limitations-in-quantum-algorithms-2412.11405"/></url>
<url><loc>https://scifaro.com/en/abs/the-dark-side-of-the-forces-assessing-non-conservative-force-models-for-atomistic-machine-learning-2412.11569</loc><lastmod>2025-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-dark-side-of-the-forces-assessing-non-conservative-force-models-for-atomistic-machine-learning-2412.11569"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-dark-side-of-the-forces-assessing-non-conservative-force-models-for-atomistic-machine-learning-2412.11569"/></url>
<url><loc>https://scifaro.com/en/abs/entropy-as-a-design-principle-in-the-photosystem-ii-supercomplex-2412.12418</loc><lastmod>2024-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/entropy-as-a-design-principle-in-the-photosystem-ii-supercomplex-2412.12418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/entropy-as-a-design-principle-in-the-photosystem-ii-supercomplex-2412.12418"/></url>
<url><loc>https://scifaro.com/en/abs/ab-initio-conformational-analysis-of-alpha-beta-d-xylopyranose-at-pyrolysis-conditions-2412.12847</loc><lastmod>2024-12-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ab-initio-conformational-analysis-of-alpha-beta-d-xylopyranose-at-pyrolysis-conditions-2412.12847"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ab-initio-conformational-analysis-of-alpha-beta-d-xylopyranose-at-pyrolysis-conditions-2412.12847"/></url>
<url><loc>https://scifaro.com/en/abs/modified-unifac-2-0-a-group-contribution-method-completed-with-machine-learning-2412.12962</loc><lastmod>2025-05-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modified-unifac-2-0-a-group-contribution-method-completed-with-machine-learning-2412.12962"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modified-unifac-2-0-a-group-contribution-method-completed-with-machine-learning-2412.12962"/></url>
<url><loc>https://scifaro.com/en/abs/taming-multi-domain-fidelity-data-towards-foundation-models-for-atomistic-scale-simulations-2412.13088</loc><lastmod>2025-11-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/taming-multi-domain-fidelity-data-towards-foundation-models-for-atomistic-scale-simulations-2412.13088"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/taming-multi-domain-fidelity-data-towards-foundation-models-for-atomistic-scale-simulations-2412.13088"/></url>
<url><loc>https://scifaro.com/en/abs/eta-ensemble-path-integral-monte-carlo-approach-to-the-free-energy-of-the-warm-dense-electron-gas-and-the-uniform-electron-liquid-2412.13596</loc><lastmod>2024-12-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eta-ensemble-path-integral-monte-carlo-approach-to-the-free-energy-of-the-warm-dense-electron-gas-and-the-uniform-electron-liquid-2412.13596"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eta-ensemble-path-integral-monte-carlo-approach-to-the-free-energy-of-the-warm-dense-electron-gas-and-the-uniform-electron-liquid-2412.13596"/></url>
<url><loc>https://scifaro.com/en/abs/machine-learning-accelerated-descriptor-design-for-catalyst-discovery-in-co-2-to-methanol-conversion-2412.13838</loc><lastmod>2025-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/machine-learning-accelerated-descriptor-design-for-catalyst-discovery-in-co-2-to-methanol-conversion-2412.13838"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/machine-learning-accelerated-descriptor-design-for-catalyst-discovery-in-co-2-to-methanol-conversion-2412.13838"/></url>
<url><loc>https://scifaro.com/en/abs/non-perturbative-exciton-transfer-rate-analysis-of-the-fenna-matthews-olson-photosynthetic-complex-under-reduced-and-oxidised-conditions-2412.14883</loc><lastmod>2025-09-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/non-perturbative-exciton-transfer-rate-analysis-of-the-fenna-matthews-olson-photosynthetic-complex-under-reduced-and-oxidised-conditions-2412.14883"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/non-perturbative-exciton-transfer-rate-analysis-of-the-fenna-matthews-olson-photosynthetic-complex-under-reduced-and-oxidised-conditions-2412.14883"/></url>
<url><loc>https://scifaro.com/en/abs/excited-state-specific-kohn-sham-formalism-for-the-asymmetric-hubbard-dimer-2412.14945</loc><lastmod>2025-04-15</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-specific-kohn-sham-formalism-for-the-asymmetric-hubbard-dimer-2412.14945"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-specific-kohn-sham-formalism-for-the-asymmetric-hubbard-dimer-2412.14945"/></url>
<url><loc>https://scifaro.com/en/abs/selective-tracking-of-charge-carrier-dynamics-in-cuins2-quantum-dots-2412.15418</loc><lastmod>2024-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/selective-tracking-of-charge-carrier-dynamics-in-cuins2-quantum-dots-2412.15418"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/selective-tracking-of-charge-carrier-dynamics-in-cuins2-quantum-dots-2412.15418"/></url>
<url><loc>https://scifaro.com/en/abs/chemical-potential-of-the-warm-dense-electron-gas-from-ab-initio-path-integral-monte-carlo-simulations-2412.15777</loc><lastmod>2024-12-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/chemical-potential-of-the-warm-dense-electron-gas-from-ab-initio-path-integral-monte-carlo-simulations-2412.15777"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/chemical-potential-of-the-warm-dense-electron-gas-from-ab-initio-path-integral-monte-carlo-simulations-2412.15777"/></url>
<url><loc>https://scifaro.com/en/abs/time-reversible-implementation-of-mash-for-efficient-nonadiabatic-molecular-dynamics-2412.15976</loc><lastmod>2026-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/time-reversible-implementation-of-mash-for-efficient-nonadiabatic-molecular-dynamics-2412.15976"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/time-reversible-implementation-of-mash-for-efficient-nonadiabatic-molecular-dynamics-2412.15976"/></url>
<url><loc>https://scifaro.com/en/abs/systematic-discrepancies-between-reference-methods-for-non-covalent-interactions-within-the-s66-dataset-2412.16405</loc><lastmod>2025-04-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematic-discrepancies-between-reference-methods-for-non-covalent-interactions-within-the-s66-dataset-2412.16405"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematic-discrepancies-between-reference-methods-for-non-covalent-interactions-within-the-s66-dataset-2412.16405"/></url>
<url><loc>https://scifaro.com/en/abs/fully-analytic-g-0-w-0-nuclear-gradients-2412.17085</loc><lastmod>2024-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fully-analytic-g-0-w-0-nuclear-gradients-2412.17085"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fully-analytic-g-0-w-0-nuclear-gradients-2412.17085"/></url>
<url><loc>https://scifaro.com/en/abs/gw-plus-cumulant-approach-for-predicting-core-level-shake-up-satellites-in-large-molecules-2412.17132</loc><lastmod>2024-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/gw-plus-cumulant-approach-for-predicting-core-level-shake-up-satellites-in-large-molecules-2412.17132"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/gw-plus-cumulant-approach-for-predicting-core-level-shake-up-satellites-in-large-molecules-2412.17132"/></url>
<url><loc>https://scifaro.com/en/abs/understanding-dynamics-in-coarse-grained-models-v-extension-of-coarse-grained-dynamics-theory-to-non-hard-sphere-systems-2412.17186</loc><lastmod>2025-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-dynamics-in-coarse-grained-models-v-extension-of-coarse-grained-dynamics-theory-to-non-hard-sphere-systems-2412.17186"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-dynamics-in-coarse-grained-models-v-extension-of-coarse-grained-dynamics-theory-to-non-hard-sphere-systems-2412.17186"/></url>
<url><loc>https://scifaro.com/en/abs/an-accurate-and-efficient-framework-for-modelling-the-surface-chemistry-of-ionic-materials-2412.17204</loc><lastmod>2025-09-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-accurate-and-efficient-framework-for-modelling-the-surface-chemistry-of-ionic-materials-2412.17204"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-accurate-and-efficient-framework-for-modelling-the-surface-chemistry-of-ionic-materials-2412.17204"/></url>
<url><loc>https://scifaro.com/en/abs/emerging-non-local-quantum-phenomena-in-a-classical-system-of-organo-metallic-microparticles-2412.17553</loc><lastmod>2024-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/emerging-non-local-quantum-phenomena-in-a-classical-system-of-organo-metallic-microparticles-2412.17553"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/emerging-non-local-quantum-phenomena-in-a-classical-system-of-organo-metallic-microparticles-2412.17553"/></url>
<url><loc>https://scifaro.com/en/abs/natural-orbital-non-orthogonal-configuration-interaction-2412.17602</loc><lastmod>2024-12-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/natural-orbital-non-orthogonal-configuration-interaction-2412.17602"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/natural-orbital-non-orthogonal-configuration-interaction-2412.17602"/></url>
<url><loc>https://scifaro.com/en/abs/spectro-temporal-symmetry-in-action-detected-optical-spectroscopy-highlighting-excited-state-dynamics-in-large-systems-2412.17788</loc><lastmod>2024-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spectro-temporal-symmetry-in-action-detected-optical-spectroscopy-highlighting-excited-state-dynamics-in-large-systems-2412.17788"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spectro-temporal-symmetry-in-action-detected-optical-spectroscopy-highlighting-excited-state-dynamics-in-large-systems-2412.17788"/></url>
<url><loc>https://scifaro.com/en/abs/frozen-natural-spinors-for-cholesky-decomposition-based-two-component-relativistic-coupled-cluster-method-2412.18395</loc><lastmod>2025-02-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/frozen-natural-spinors-for-cholesky-decomposition-based-two-component-relativistic-coupled-cluster-method-2412.18395"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/frozen-natural-spinors-for-cholesky-decomposition-based-two-component-relativistic-coupled-cluster-method-2412.18395"/></url>
<url><loc>https://scifaro.com/en/abs/statistical-theory-of-cumulant-mapping-in-an-imperfect-apparatus-2412.18439</loc><lastmod>2025-04-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/statistical-theory-of-cumulant-mapping-in-an-imperfect-apparatus-2412.18439"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/statistical-theory-of-cumulant-mapping-in-an-imperfect-apparatus-2412.18439"/></url>
<url><loc>https://scifaro.com/en/abs/algebraic-diagrammatic-construction-theory-of-charged-excitations-with-consistent-treatment-of-spin-orbit-coupling-and-dynamic-correlation-2412.18542</loc><lastmod>2025-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/algebraic-diagrammatic-construction-theory-of-charged-excitations-with-consistent-treatment-of-spin-orbit-coupling-and-dynamic-correlation-2412.18542"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/algebraic-diagrammatic-construction-theory-of-charged-excitations-with-consistent-treatment-of-spin-orbit-coupling-and-dynamic-correlation-2412.18542"/></url>
<url><loc>https://scifaro.com/en/abs/solving-crystal-structures-by-carrying-out-the-calculation-of-the-single-atom-r1-method-in-a-lottery-mode-2412.18625</loc><lastmod>2025-02-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/solving-crystal-structures-by-carrying-out-the-calculation-of-the-single-atom-r1-method-in-a-lottery-mode-2412.18625"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/solving-crystal-structures-by-carrying-out-the-calculation-of-the-single-atom-r1-method-in-a-lottery-mode-2412.18625"/></url>
<url><loc>https://scifaro.com/en/abs/boostmd-accelerating-molecular-sampling-by-leveraging-ml-force-field-features-from-previous-time-steps-2412.18633</loc><lastmod>2024-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/boostmd-accelerating-molecular-sampling-by-leveraging-ml-force-field-features-from-previous-time-steps-2412.18633"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/boostmd-accelerating-molecular-sampling-by-leveraging-ml-force-field-features-from-previous-time-steps-2412.18633"/></url>
<url><loc>https://scifaro.com/en/abs/eigensolutions-and-thermodynamic-properties-of-generalized-hyperbolic-hulthen-and-woods-saxon-potential-2412.18637</loc><lastmod>2024-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/eigensolutions-and-thermodynamic-properties-of-generalized-hyperbolic-hulthen-and-woods-saxon-potential-2412.18637"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/eigensolutions-and-thermodynamic-properties-of-generalized-hyperbolic-hulthen-and-woods-saxon-potential-2412.18637"/></url>
<url><loc>https://scifaro.com/en/abs/luminescent-trityl-based-diradicaloids-a-theoretical-and-experimental-assessment-of-charge-resonance-in-low-lying-excited-states-2412.18638</loc><lastmod>2025-08-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/luminescent-trityl-based-diradicaloids-a-theoretical-and-experimental-assessment-of-charge-resonance-in-low-lying-excited-states-2412.18638"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/luminescent-trityl-based-diradicaloids-a-theoretical-and-experimental-assessment-of-charge-resonance-in-low-lying-excited-states-2412.18638"/></url>
<url><loc>https://scifaro.com/en/abs/label-free-sers-discrimination-of-proline-from-hydroxylated-proline-at-single-molecule-level-assisted-by-a-deep-learning-model-2412.18935</loc><lastmod>2024-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/label-free-sers-discrimination-of-proline-from-hydroxylated-proline-at-single-molecule-level-assisted-by-a-deep-learning-model-2412.18935"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/label-free-sers-discrimination-of-proline-from-hydroxylated-proline-at-single-molecule-level-assisted-by-a-deep-learning-model-2412.18935"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-accurate-x-ray-absorption-spectra-for-cn-cn-and-cn-insights-from-multiconfigurational-and-density-functional-simulations-2412.19065</loc><lastmod>2025-05-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-accurate-x-ray-absorption-spectra-for-cn-cn-and-cn-insights-from-multiconfigurational-and-density-functional-simulations-2412.19065"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-accurate-x-ray-absorption-spectra-for-cn-cn-and-cn-insights-from-multiconfigurational-and-density-functional-simulations-2412.19065"/></url>
<url><loc>https://scifaro.com/en/abs/orbital-surface-hopping-from-orbital-quantum-classical-liouville-equation-for-nonadiabatic-dynamics-of-many-electron-systems-2412.19097</loc><lastmod>2025-11-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/orbital-surface-hopping-from-orbital-quantum-classical-liouville-equation-for-nonadiabatic-dynamics-of-many-electron-systems-2412.19097"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/orbital-surface-hopping-from-orbital-quantum-classical-liouville-equation-for-nonadiabatic-dynamics-of-many-electron-systems-2412.19097"/></url>
<url><loc>https://scifaro.com/en/abs/silver-nanoplates-theoretical-and-experimental-characterization-study-of-sers-application-2412.19452</loc><lastmod>2024-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/silver-nanoplates-theoretical-and-experimental-characterization-study-of-sers-application-2412.19452"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/silver-nanoplates-theoretical-and-experimental-characterization-study-of-sers-application-2412.19452"/></url>
<url><loc>https://scifaro.com/en/abs/the-key-steps-and-distinct-performance-trends-of-pyrrolic-vs-pyridinic-m-n-c-catalysts-in-electrocatalytic-nitrate-reduction-2412.19615</loc><lastmod>2026-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-key-steps-and-distinct-performance-trends-of-pyrrolic-vs-pyridinic-m-n-c-catalysts-in-electrocatalytic-nitrate-reduction-2412.19615"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-key-steps-and-distinct-performance-trends-of-pyrrolic-vs-pyridinic-m-n-c-catalysts-in-electrocatalytic-nitrate-reduction-2412.19615"/></url>
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<url><loc>https://scifaro.com/en/abs/quantum-annealing-eigensolver-as-a-nisq-era-tool-for-probing-strong-correlation-effects-in-quantum-chemistry-2412.20464</loc><lastmod>2025-09-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-annealing-eigensolver-as-a-nisq-era-tool-for-probing-strong-correlation-effects-in-quantum-chemistry-2412.20464"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-annealing-eigensolver-as-a-nisq-era-tool-for-probing-strong-correlation-effects-in-quantum-chemistry-2412.20464"/></url>
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<url><loc>https://scifaro.com/en/abs/rotational-excitation-cross-sections-for-chloronium-based-on-a-new-5d-interaction-potential-with-molecular-hydrogen-2412.20808</loc><lastmod>2024-12-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rotational-excitation-cross-sections-for-chloronium-based-on-a-new-5d-interaction-potential-with-molecular-hydrogen-2412.20808"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rotational-excitation-cross-sections-for-chloronium-based-on-a-new-5d-interaction-potential-with-molecular-hydrogen-2412.20808"/></url>
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<url><loc>https://scifaro.com/en/abs/photokinetics-of-photothermal-reactions-2501.06057</loc><lastmod>2025-01-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/photokinetics-of-photothermal-reactions-2501.06057"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/photokinetics-of-photothermal-reactions-2501.06057"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-transition-state-searches-by-freezing-string-method-with-graph-neural-network-potentials-2501.06159</loc><lastmod>2025-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-transition-state-searches-by-freezing-string-method-with-graph-neural-network-potentials-2501.06159"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-transition-state-searches-by-freezing-string-method-with-graph-neural-network-potentials-2501.06159"/></url>
<url><loc>https://scifaro.com/en/abs/a-physics-informed-sheaf-model-2501.06197</loc><lastmod>2025-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-physics-informed-sheaf-model-2501.06197"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-physics-informed-sheaf-model-2501.06197"/></url>
<url><loc>https://scifaro.com/en/abs/charge-transport-enhanced-by-the-quantum-entanglement-in-the-photosystem-ii-reaction-center-2501.06202</loc><lastmod>2025-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charge-transport-enhanced-by-the-quantum-entanglement-in-the-photosystem-ii-reaction-center-2501.06202"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charge-transport-enhanced-by-the-quantum-entanglement-in-the-photosystem-ii-reaction-center-2501.06202"/></url>
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<url><loc>https://scifaro.com/en/abs/monolayer-defined-flat-colloidal-pbse-quantum-dots-in-extreme-confinement-2501.06341</loc><lastmod>2025-01-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/monolayer-defined-flat-colloidal-pbse-quantum-dots-in-extreme-confinement-2501.06341"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/monolayer-defined-flat-colloidal-pbse-quantum-dots-in-extreme-confinement-2501.06341"/></url>
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<url><loc>https://scifaro.com/en/abs/experimental-evidence-of-quantum-drude-oscillator-behavior-in-liquids-revealed-with-probabilistic-iterative-boltzmann-inversion-2501.06501</loc><lastmod>2025-04-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/experimental-evidence-of-quantum-drude-oscillator-behavior-in-liquids-revealed-with-probabilistic-iterative-boltzmann-inversion-2501.06501"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/experimental-evidence-of-quantum-drude-oscillator-behavior-in-liquids-revealed-with-probabilistic-iterative-boltzmann-inversion-2501.06501"/></url>
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<url><loc>https://scifaro.com/en/abs/direct-unconstrained-optimization-of-excited-states-in-density-functional-theory-2501.10907</loc><lastmod>2025-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/direct-unconstrained-optimization-of-excited-states-in-density-functional-theory-2501.10907"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/direct-unconstrained-optimization-of-excited-states-in-density-functional-theory-2501.10907"/></url>
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<url><loc>https://scifaro.com/en/abs/dependence-of-energy-relaxation-and-vibrational-coherence-on-the-location-of-light-harvesting-chromoproteins-in-photosynthetic-antenna-protein-complexes-2501.11308</loc><lastmod>2025-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dependence-of-energy-relaxation-and-vibrational-coherence-on-the-location-of-light-harvesting-chromoproteins-in-photosynthetic-antenna-protein-complexes-2501.11308"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dependence-of-energy-relaxation-and-vibrational-coherence-on-the-location-of-light-harvesting-chromoproteins-in-photosynthetic-antenna-protein-complexes-2501.11308"/></url>
<url><loc>https://scifaro.com/en/abs/ion-trap-geometry-2501.11703</loc><lastmod>2025-01-22</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ion-trap-geometry-2501.11703"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ion-trap-geometry-2501.11703"/></url>
<url><loc>https://scifaro.com/en/abs/computational-study-of-li-solvation-structures-in-fluorinated-ether-non-fluorinated-ether-and-organic-carbonate-based-electrolytes-at-low-and-high-salt-concentrations-2501.11932</loc><lastmod>2025-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/computational-study-of-li-solvation-structures-in-fluorinated-ether-non-fluorinated-ether-and-organic-carbonate-based-electrolytes-at-low-and-high-salt-concentrations-2501.11932"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/computational-study-of-li-solvation-structures-in-fluorinated-ether-non-fluorinated-ether-and-organic-carbonate-based-electrolytes-at-low-and-high-salt-concentrations-2501.11932"/></url>
<url><loc>https://scifaro.com/en/abs/encapsulation-induced-alignment-in-endofullerenes-2501.12534</loc><lastmod>2025-01-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/encapsulation-induced-alignment-in-endofullerenes-2501.12534"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/encapsulation-induced-alignment-in-endofullerenes-2501.12534"/></url>
<url><loc>https://scifaro.com/en/abs/reconstructing-pristine-molecular-orbitals-from-scanning-tunneling-microscopy-images-via-artificial-intelligence-approaches-2501.12657</loc><lastmod>2025-08-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reconstructing-pristine-molecular-orbitals-from-scanning-tunneling-microscopy-images-via-artificial-intelligence-approaches-2501.12657"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reconstructing-pristine-molecular-orbitals-from-scanning-tunneling-microscopy-images-via-artificial-intelligence-approaches-2501.12657"/></url>
<url><loc>https://scifaro.com/en/abs/self-refinement-of-auxiliary-field-quantum-monte-carlo-via-non-orthogonal-configuration-interaction-2501.12765</loc><lastmod>2025-07-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/self-refinement-of-auxiliary-field-quantum-monte-carlo-via-non-orthogonal-configuration-interaction-2501.12765"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/self-refinement-of-auxiliary-field-quantum-monte-carlo-via-non-orthogonal-configuration-interaction-2501.12765"/></url>
<url><loc>https://scifaro.com/en/abs/advancing-carbon-capture-using-ai-design-of-permeable-membrane-and-estimation-of-parameters-for-carbon-capture-using-linear-regression-and-membrane-based-equations-2501.13373</loc><lastmod>2025-10-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/advancing-carbon-capture-using-ai-design-of-permeable-membrane-and-estimation-of-parameters-for-carbon-capture-using-linear-regression-and-membrane-based-equations-2501.13373"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/advancing-carbon-capture-using-ai-design-of-permeable-membrane-and-estimation-of-parameters-for-carbon-capture-using-linear-regression-and-membrane-based-equations-2501.13373"/></url>
<url><loc>https://scifaro.com/en/abs/femtoliter-batch-reactors-for-nanofluidic-scattering-spectroscopy-analysis-of-catalytic-reactions-on-single-nanoparticles-2501.13658</loc><lastmod>2025-01-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/femtoliter-batch-reactors-for-nanofluidic-scattering-spectroscopy-analysis-of-catalytic-reactions-on-single-nanoparticles-2501.13658"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/femtoliter-batch-reactors-for-nanofluidic-scattering-spectroscopy-analysis-of-catalytic-reactions-on-single-nanoparticles-2501.13658"/></url>
<url><loc>https://scifaro.com/en/abs/on-the-estimation-of-centre-of-mass-in-periodic-systems-2501.14578</loc><lastmod>2026-01-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/on-the-estimation-of-centre-of-mass-in-periodic-systems-2501.14578"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/on-the-estimation-of-centre-of-mass-in-periodic-systems-2501.14578"/></url>
<url><loc>https://scifaro.com/en/abs/linear-and-nonlinear-x-ray-spectra-of-chiral-molecules-x-ray-circular-dichroism-sum-and-difference-frequency-generation-of-fenchone-and-cysteine-2501.14671</loc><lastmod>2025-01-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/linear-and-nonlinear-x-ray-spectra-of-chiral-molecules-x-ray-circular-dichroism-sum-and-difference-frequency-generation-of-fenchone-and-cysteine-2501.14671"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/linear-and-nonlinear-x-ray-spectra-of-chiral-molecules-x-ray-circular-dichroism-sum-and-difference-frequency-generation-of-fenchone-and-cysteine-2501.14671"/></url>
<url><loc>https://scifaro.com/en/abs/large-area-monocrystalline-and-surfactant-free-copper-microflake-synthesis-2501.16012</loc><lastmod>2025-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/large-area-monocrystalline-and-surfactant-free-copper-microflake-synthesis-2501.16012"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/large-area-monocrystalline-and-surfactant-free-copper-microflake-synthesis-2501.16012"/></url>
<url><loc>https://scifaro.com/en/abs/diffusion-of-water-molecules-on-the-surface-of-silica-nanoparticles-insights-from-nuclear-magnetic-resonance-relaxometry-2501.16286</loc><lastmod>2025-01-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/diffusion-of-water-molecules-on-the-surface-of-silica-nanoparticles-insights-from-nuclear-magnetic-resonance-relaxometry-2501.16286"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/diffusion-of-water-molecules-on-the-surface-of-silica-nanoparticles-insights-from-nuclear-magnetic-resonance-relaxometry-2501.16286"/></url>
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<url><loc>https://scifaro.com/en/abs/excited-state-nonadiabatic-dynamics-in-explicit-solvent-using-machine-learned-interatomic-potentials-2501.16974</loc><lastmod>2025-01-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/excited-state-nonadiabatic-dynamics-in-explicit-solvent-using-machine-learned-interatomic-potentials-2501.16974"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/excited-state-nonadiabatic-dynamics-in-explicit-solvent-using-machine-learned-interatomic-potentials-2501.16974"/></url>
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<url><loc>https://scifaro.com/en/abs/bridging-dnp-and-mas-nmr-dipolar-recoupling-from-static-single-crystal-to-spinning-powders-2501.17288</loc><lastmod>2025-01-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/bridging-dnp-and-mas-nmr-dipolar-recoupling-from-static-single-crystal-to-spinning-powders-2501.17288"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/bridging-dnp-and-mas-nmr-dipolar-recoupling-from-static-single-crystal-to-spinning-powders-2501.17288"/></url>
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<url><loc>https://scifaro.com/en/abs/periodic-boundary-conditions-for-bosonic-path-integral-molecular-dynamics-2501.17618</loc><lastmod>2025-09-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/periodic-boundary-conditions-for-bosonic-path-integral-molecular-dynamics-2501.17618"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/periodic-boundary-conditions-for-bosonic-path-integral-molecular-dynamics-2501.17618"/></url>
<url><loc>https://scifaro.com/en/abs/optimal-reference-excited-state-methods-static-correlation-at-polynomial-cost-with-single-reference-coupled-cluster-approaches-2501.18135</loc><lastmod>2025-03-07</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-reference-excited-state-methods-static-correlation-at-polynomial-cost-with-single-reference-coupled-cluster-approaches-2501.18135"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-reference-excited-state-methods-static-correlation-at-polynomial-cost-with-single-reference-coupled-cluster-approaches-2501.18135"/></url>
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<url><loc>https://scifaro.com/en/abs/two-dimensional-fluorescence-spectroscopy-with-quantum-entangled-photons-and-time-and-frequency-resolved-two-photon-coincidence-detection-2502.02073</loc><lastmod>2026-04-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-fluorescence-spectroscopy-with-quantum-entangled-photons-and-time-and-frequency-resolved-two-photon-coincidence-detection-2502.02073"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-fluorescence-spectroscopy-with-quantum-entangled-photons-and-time-and-frequency-resolved-two-photon-coincidence-detection-2502.02073"/></url>
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<url><loc>https://scifaro.com/en/abs/modeling-reactions-on-the-solid-liquid-interface-with-next-generation-extended-lagrangian-quantum-based-molecular-dynamics-2502.02429</loc><lastmod>2025-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-reactions-on-the-solid-liquid-interface-with-next-generation-extended-lagrangian-quantum-based-molecular-dynamics-2502.02429"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-reactions-on-the-solid-liquid-interface-with-next-generation-extended-lagrangian-quantum-based-molecular-dynamics-2502.02429"/></url>
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<url><loc>https://scifaro.com/en/abs/simple-and-efficient-computational-strategies-for-calculating-orbital-energies-and-pair-orbital-energies-from-pccd-based-methods-2502.03098</loc><lastmod>2025-02-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simple-and-efficient-computational-strategies-for-calculating-orbital-energies-and-pair-orbital-energies-from-pccd-based-methods-2502.03098"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simple-and-efficient-computational-strategies-for-calculating-orbital-energies-and-pair-orbital-energies-from-pccd-based-methods-2502.03098"/></url>
<url><loc>https://scifaro.com/en/abs/retro-rank-in-a-ranking-based-approach-for-inorganic-materials-synthesis-planning-2502.04289</loc><lastmod>2025-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/retro-rank-in-a-ranking-based-approach-for-inorganic-materials-synthesis-planning-2502.04289"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/retro-rank-in-a-ranking-based-approach-for-inorganic-materials-synthesis-planning-2502.04289"/></url>
<url><loc>https://scifaro.com/en/abs/paper-based-colorimetric-sensor-for-detection-of-chloride-anions-in-water-using-an-epoxy-silver-nanocomposite-2502.04337</loc><lastmod>2025-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/paper-based-colorimetric-sensor-for-detection-of-chloride-anions-in-water-using-an-epoxy-silver-nanocomposite-2502.04337"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/paper-based-colorimetric-sensor-for-detection-of-chloride-anions-in-water-using-an-epoxy-silver-nanocomposite-2502.04337"/></url>
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<url><loc>https://scifaro.com/en/abs/the-conundrum-of-diffuse-basis-sets-a-blessing-for-accuracy-yet-a-curse-for-sparsity-2502.04631</loc><lastmod>2025-05-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-conundrum-of-diffuse-basis-sets-a-blessing-for-accuracy-yet-a-curse-for-sparsity-2502.04631"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-conundrum-of-diffuse-basis-sets-a-blessing-for-accuracy-yet-a-curse-for-sparsity-2502.04631"/></url>
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<url><loc>https://scifaro.com/en/abs/spin-free-orbital-entropy-mutual-information-and-correlation-analysis-2502.04800</loc><lastmod>2025-05-19</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-free-orbital-entropy-mutual-information-and-correlation-analysis-2502.04800"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-free-orbital-entropy-mutual-information-and-correlation-analysis-2502.04800"/></url>
<url><loc>https://scifaro.com/en/abs/teacher-student-training-improves-accuracy-and-efficiency-of-machine-learning-interatomic-potentials-2502.05379</loc><lastmod>2025-06-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/teacher-student-training-improves-accuracy-and-efficiency-of-machine-learning-interatomic-potentials-2502.05379"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/teacher-student-training-improves-accuracy-and-efficiency-of-machine-learning-interatomic-potentials-2502.05379"/></url>
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<url><loc>https://scifaro.com/en/abs/openmm-mimic-interface-for-efficient-and-flexible-multiscale-simulations-2502.06539</loc><lastmod>2025-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/openmm-mimic-interface-for-efficient-and-flexible-multiscale-simulations-2502.06539"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/openmm-mimic-interface-for-efficient-and-flexible-multiscale-simulations-2502.06539"/></url>
<url><loc>https://scifaro.com/en/abs/the-ridge-integration-method-and-its-application-to-molecular-sieving-demonstrated-for-gas-purification-via-graphdiyne-membranes-2502.06654</loc><lastmod>2025-02-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-ridge-integration-method-and-its-application-to-molecular-sieving-demonstrated-for-gas-purification-via-graphdiyne-membranes-2502.06654"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-ridge-integration-method-and-its-application-to-molecular-sieving-demonstrated-for-gas-purification-via-graphdiyne-membranes-2502.06654"/></url>
<url><loc>https://scifaro.com/en/abs/spin-dependent-fluorescence-mediated-by-anti-symmetric-exchange-in-triplet-exciton-pairs-2502.07038</loc><lastmod>2025-02-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-dependent-fluorescence-mediated-by-anti-symmetric-exchange-in-triplet-exciton-pairs-2502.07038"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-dependent-fluorescence-mediated-by-anti-symmetric-exchange-in-triplet-exciton-pairs-2502.07038"/></url>
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<url><loc>https://scifaro.com/en/abs/dna-origami-nanostructures-observed-in-transmission-electron-microscopy-images-can-be-characterized-through-convolutional-neural-networks-2503.10950</loc><lastmod>2025-03-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/dna-origami-nanostructures-observed-in-transmission-electron-microscopy-images-can-be-characterized-through-convolutional-neural-networks-2503.10950"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/dna-origami-nanostructures-observed-in-transmission-electron-microscopy-images-can-be-characterized-through-convolutional-neural-networks-2503.10950"/></url>
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<url><loc>https://scifaro.com/en/abs/spin-generator-coordinate-method-for-electronic-structure-2503.12548</loc><lastmod>2025-03-18</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/spin-generator-coordinate-method-for-electronic-structure-2503.12548"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/spin-generator-coordinate-method-for-electronic-structure-2503.12548"/></url>
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<url><loc>https://scifaro.com/en/abs/charging-dynamics-of-electric-double-layer-capacitors-including-beyond-mean-field-electrostatic-correlations-2503.15171</loc><lastmod>2025-09-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/charging-dynamics-of-electric-double-layer-capacitors-including-beyond-mean-field-electrostatic-correlations-2503.15171"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/charging-dynamics-of-electric-double-layer-capacitors-including-beyond-mean-field-electrostatic-correlations-2503.15171"/></url>
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<url><loc>https://scifaro.com/en/abs/deep-quantum-monte-carlo-approach-for-polaritonic-chemistry-2503.15644</loc><lastmod>2025-07-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/deep-quantum-monte-carlo-approach-for-polaritonic-chemistry-2503.15644"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/deep-quantum-monte-carlo-approach-for-polaritonic-chemistry-2503.15644"/></url>
<url><loc>https://scifaro.com/en/abs/using-machine-learning-to-map-simulated-noisy-and-laser-limited-multidimensional-spectra-to-molecular-electronic-couplings-2503.15706</loc><lastmod>2025-03-21</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/using-machine-learning-to-map-simulated-noisy-and-laser-limited-multidimensional-spectra-to-molecular-electronic-couplings-2503.15706"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/using-machine-learning-to-map-simulated-noisy-and-laser-limited-multidimensional-spectra-to-molecular-electronic-couplings-2503.15706"/></url>
<url><loc>https://scifaro.com/en/abs/a-complete-active-space-self-consistent-field-approach-for-molecules-in-qed-environments-2503.16417</loc><lastmod>2025-06-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-complete-active-space-self-consistent-field-approach-for-molecules-in-qed-environments-2503.16417"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-complete-active-space-self-consistent-field-approach-for-molecules-in-qed-environments-2503.16417"/></url>
<url><loc>https://scifaro.com/en/abs/appa-agentic-preformulation-pathway-assistant-2503.16698</loc><lastmod>2025-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/appa-agentic-preformulation-pathway-assistant-2503.16698"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/appa-agentic-preformulation-pathway-assistant-2503.16698"/></url>
<url><loc>https://scifaro.com/en/abs/production-characteristics-and-biological-effects-of-protonated-small-water-clusters-2503.16767</loc><lastmod>2025-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/production-characteristics-and-biological-effects-of-protonated-small-water-clusters-2503.16767"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/production-characteristics-and-biological-effects-of-protonated-small-water-clusters-2503.16767"/></url>
<url><loc>https://scifaro.com/en/abs/extreme-ultraviolet-time-resolved-photoelectron-spectrometer-with-an-ultrathin-liquid-flat-jet-2503.16840</loc><lastmod>2025-03-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extreme-ultraviolet-time-resolved-photoelectron-spectrometer-with-an-ultrathin-liquid-flat-jet-2503.16840"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extreme-ultraviolet-time-resolved-photoelectron-spectrometer-with-an-ultrathin-liquid-flat-jet-2503.16840"/></url>
<url><loc>https://scifaro.com/en/abs/light-induced-persistent-electronic-chirality-in-achiral-molecules-probed-with-time-resolved-electronic-circular-dichroism-spectroscopy-2503.16986</loc><lastmod>2025-07-24</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/light-induced-persistent-electronic-chirality-in-achiral-molecules-probed-with-time-resolved-electronic-circular-dichroism-spectroscopy-2503.16986"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/light-induced-persistent-electronic-chirality-in-achiral-molecules-probed-with-time-resolved-electronic-circular-dichroism-spectroscopy-2503.16986"/></url>
<url><loc>https://scifaro.com/en/abs/molecular-polarizability-under-vibrational-strong-coupling-2503.17102</loc><lastmod>2025-05-16</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/molecular-polarizability-under-vibrational-strong-coupling-2503.17102"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/molecular-polarizability-under-vibrational-strong-coupling-2503.17102"/></url>
<url><loc>https://scifaro.com/en/abs/full-microscopic-simulations-uncover-persistent-quantum-effects-in-primary-photosynthesis-2503.17282</loc><lastmod>2025-10-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/full-microscopic-simulations-uncover-persistent-quantum-effects-in-primary-photosynthesis-2503.17282"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/full-microscopic-simulations-uncover-persistent-quantum-effects-in-primary-photosynthesis-2503.17282"/></url>
<url><loc>https://scifaro.com/en/abs/an-atomistic-approach-for-modeling-of-polarizability-and-raman-scattering-of-water-clusters-and-liquid-water-2503.17399</loc><lastmod>2025-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-atomistic-approach-for-modeling-of-polarizability-and-raman-scattering-of-water-clusters-and-liquid-water-2503.17399"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-atomistic-approach-for-modeling-of-polarizability-and-raman-scattering-of-water-clusters-and-liquid-water-2503.17399"/></url>
<url><loc>https://scifaro.com/en/abs/modeling-of-chemical-reactions-in-rarefied-gas-flows-by-the-kinetic-fokker-planck-method-2503.17423</loc><lastmod>2025-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/modeling-of-chemical-reactions-in-rarefied-gas-flows-by-the-kinetic-fokker-planck-method-2503.17423"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/modeling-of-chemical-reactions-in-rarefied-gas-flows-by-the-kinetic-fokker-planck-method-2503.17423"/></url>
<url><loc>https://scifaro.com/en/abs/multi-timescale-time-encoding-for-cnn-prediction-of-fenna-matthews-olson-energy-transfer-dynamics-2503.17430</loc><lastmod>2025-12-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multi-timescale-time-encoding-for-cnn-prediction-of-fenna-matthews-olson-energy-transfer-dynamics-2503.17430"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multi-timescale-time-encoding-for-cnn-prediction-of-fenna-matthews-olson-energy-transfer-dynamics-2503.17430"/></url>
<url><loc>https://scifaro.com/en/abs/multistate-density-functional-theory-for-local-and-charge-transfer-tripdoublet-states-from-triplet-free-radical-interactions-2503.17559</loc><lastmod>2025-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/multistate-density-functional-theory-for-local-and-charge-transfer-tripdoublet-states-from-triplet-free-radical-interactions-2503.17559"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/multistate-density-functional-theory-for-local-and-charge-transfer-tripdoublet-states-from-triplet-free-radical-interactions-2503.17559"/></url>
<url><loc>https://scifaro.com/en/abs/a-benchmark-dataset-for-machine-learning-surrogates-of-pore-scale-co2-water-interaction-2503.17592</loc><lastmod>2026-03-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-benchmark-dataset-for-machine-learning-surrogates-of-pore-scale-co2-water-interaction-2503.17592"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-benchmark-dataset-for-machine-learning-surrogates-of-pore-scale-co2-water-interaction-2503.17592"/></url>
<url><loc>https://scifaro.com/en/abs/surface-enhanced-raman-scattering-and-density-functional-theory-study-of-selected-lanthanide-citrate-complexes-lanthanide-la-ce-pr-nd-sm-eu-and-gd-2503.17800</loc><lastmod>2025-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/surface-enhanced-raman-scattering-and-density-functional-theory-study-of-selected-lanthanide-citrate-complexes-lanthanide-la-ce-pr-nd-sm-eu-and-gd-2503.17800"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/surface-enhanced-raman-scattering-and-density-functional-theory-study-of-selected-lanthanide-citrate-complexes-lanthanide-la-ce-pr-nd-sm-eu-and-gd-2503.17800"/></url>
<url><loc>https://scifaro.com/en/abs/predicting-performance-related-properties-of-refrigerant-based-on-tailored-small-molecule-functional-group-contribution-2503.17919</loc><lastmod>2025-07-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/predicting-performance-related-properties-of-refrigerant-based-on-tailored-small-molecule-functional-group-contribution-2503.17919"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/predicting-performance-related-properties-of-refrigerant-based-on-tailored-small-molecule-functional-group-contribution-2503.17919"/></url>
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<url><loc>https://scifaro.com/en/abs/ionic-liquid-molecular-dynamics-simulation-with-machine-learning-force-fields-dpmd-and-mace-2503.18249</loc><lastmod>2025-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ionic-liquid-molecular-dynamics-simulation-with-machine-learning-force-fields-dpmd-and-mace-2503.18249"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ionic-liquid-molecular-dynamics-simulation-with-machine-learning-force-fields-dpmd-and-mace-2503.18249"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-the-relaxation-dynamics-of-uracil-insights-from-time-resolved-x-ray-photoelectron-spectroscopy-2503.18723</loc><lastmod>2025-09-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-the-relaxation-dynamics-of-uracil-insights-from-time-resolved-x-ray-photoelectron-spectroscopy-2503.18723"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-the-relaxation-dynamics-of-uracil-insights-from-time-resolved-x-ray-photoelectron-spectroscopy-2503.18723"/></url>
<url><loc>https://scifaro.com/en/abs/unraveling-specific-conditions-for-a-repeatable-mpemba-effect-2503.18820</loc><lastmod>2025-12-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-specific-conditions-for-a-repeatable-mpemba-effect-2503.18820"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-specific-conditions-for-a-repeatable-mpemba-effect-2503.18820"/></url>
<url><loc>https://scifaro.com/en/abs/convolutional-neural-network-approach-to-ion-coulomb-crystal-image-analysis-2503.18846</loc><lastmod>2025-03-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/convolutional-neural-network-approach-to-ion-coulomb-crystal-image-analysis-2503.18846"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/convolutional-neural-network-approach-to-ion-coulomb-crystal-image-analysis-2503.18846"/></url>
<url><loc>https://scifaro.com/en/abs/kinetics-and-direct-imaging-of-electrochemically-formed-palladium-hydride-for-efficient-hydrogen-evolution-reaction-2503.19040</loc><lastmod>2025-03-26</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/kinetics-and-direct-imaging-of-electrochemically-formed-palladium-hydride-for-efficient-hydrogen-evolution-reaction-2503.19040"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/kinetics-and-direct-imaging-of-electrochemically-formed-palladium-hydride-for-efficient-hydrogen-evolution-reaction-2503.19040"/></url>
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<url><loc>https://scifaro.com/en/abs/intermolecular-radiative-decay-a-non-local-decay-mechanism-providing-an-insider-s-view-of-the-solvation-shell-2503.19435</loc><lastmod>2025-11-25</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/intermolecular-radiative-decay-a-non-local-decay-mechanism-providing-an-insider-s-view-of-the-solvation-shell-2503.19435"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/intermolecular-radiative-decay-a-non-local-decay-mechanism-providing-an-insider-s-view-of-the-solvation-shell-2503.19435"/></url>
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<url><loc>https://scifaro.com/en/abs/optimal-rejection-free-path-sampling-2503.21037</loc><lastmod>2025-03-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-rejection-free-path-sampling-2503.21037"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-rejection-free-path-sampling-2503.21037"/></url>
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<url><loc>https://scifaro.com/en/abs/extracting-coupling-mode-spectral-densities-with-two-dimensional-electronic-spectroscopy-2503.21685</loc><lastmod>2025-09-11</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extracting-coupling-mode-spectral-densities-with-two-dimensional-electronic-spectroscopy-2503.21685"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extracting-coupling-mode-spectral-densities-with-two-dimensional-electronic-spectroscopy-2503.21685"/></url>
<url><loc>https://scifaro.com/en/abs/radiative-stabilization-of-the-indenyl-cation-recurrent-fluorescence-in-a-closed-shell-polycyclic-aromatic-hydrocarbon-2503.22033</loc><lastmod>2025-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/radiative-stabilization-of-the-indenyl-cation-recurrent-fluorescence-in-a-closed-shell-polycyclic-aromatic-hydrocarbon-2503.22033"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/radiative-stabilization-of-the-indenyl-cation-recurrent-fluorescence-in-a-closed-shell-polycyclic-aromatic-hydrocarbon-2503.22033"/></url>
<url><loc>https://scifaro.com/en/abs/ostwald-ripening-of-buoyancy-driven-microbubbles-2503.22128</loc><lastmod>2025-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/ostwald-ripening-of-buoyancy-driven-microbubbles-2503.22128"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/ostwald-ripening-of-buoyancy-driven-microbubbles-2503.22128"/></url>
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<url><loc>https://scifaro.com/en/abs/two-dimensional-electronic-spectroscopy-in-the-condensed-phase-using-equivariant-transformer-accelerated-molecular-dynamics-simulations-2503.22583</loc><lastmod>2025-08-28</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/two-dimensional-electronic-spectroscopy-in-the-condensed-phase-using-equivariant-transformer-accelerated-molecular-dynamics-simulations-2503.22583"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/two-dimensional-electronic-spectroscopy-in-the-condensed-phase-using-equivariant-transformer-accelerated-molecular-dynamics-simulations-2503.22583"/></url>
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<url><loc>https://scifaro.com/en/abs/quantum-many-body-linear-algebra-hamiltonian-moments-and-a-coupled-cluster-inspired-framework-2503.22908</loc><lastmod>2025-12-30</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/quantum-many-body-linear-algebra-hamiltonian-moments-and-a-coupled-cluster-inspired-framework-2503.22908"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/quantum-many-body-linear-algebra-hamiltonian-moments-and-a-coupled-cluster-inspired-framework-2503.22908"/></url>
<url><loc>https://scifaro.com/en/abs/extending-ring-polymer-molecular-dynamics-rate-theory-to-reactions-with-non-separable-reactants-2503.22964</loc><lastmod>2025-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/extending-ring-polymer-molecular-dynamics-rate-theory-to-reactions-with-non-separable-reactants-2503.22964"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/extending-ring-polymer-molecular-dynamics-rate-theory-to-reactions-with-non-separable-reactants-2503.22964"/></url>
<url><loc>https://scifaro.com/en/abs/a-low-cost-four-component-relativistic-coupled-cluster-linear-response-theory-based-on-perturbation-sensitive-natural-spinors-2503.23144</loc><lastmod>2025-09-17</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-low-cost-four-component-relativistic-coupled-cluster-linear-response-theory-based-on-perturbation-sensitive-natural-spinors-2503.23144"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-low-cost-four-component-relativistic-coupled-cluster-linear-response-theory-based-on-perturbation-sensitive-natural-spinors-2503.23144"/></url>
<url><loc>https://scifaro.com/en/abs/optimal-invariant-bases-for-atomistic-machine-learning-2503.23515</loc><lastmod>2025-04-04</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimal-invariant-bases-for-atomistic-machine-learning-2503.23515"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimal-invariant-bases-for-atomistic-machine-learning-2503.23515"/></url>
<url><loc>https://scifaro.com/en/abs/performing-path-integral-molecular-dynamics-using-artificial-intelligence-enhanced-molecular-simulation-framework-2503.23728</loc><lastmod>2025-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performing-path-integral-molecular-dynamics-using-artificial-intelligence-enhanced-molecular-simulation-framework-2503.23728"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performing-path-integral-molecular-dynamics-using-artificial-intelligence-enhanced-molecular-simulation-framework-2503.23728"/></url>
<url><loc>https://scifaro.com/en/abs/the-molecular-quantum-electro-dynamics-research-group-in-budapest-2503.23942</loc><lastmod>2025-04-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-molecular-quantum-electro-dynamics-research-group-in-budapest-2503.23942"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-molecular-quantum-electro-dynamics-research-group-in-budapest-2503.23942"/></url>
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<url><loc>https://scifaro.com/en/abs/egret-1-pretrained-neural-network-potentials-for-efficient-and-accurate-bioorganic-simulation-2504.20955</loc><lastmod>2025-06-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/egret-1-pretrained-neural-network-potentials-for-efficient-and-accurate-bioorganic-simulation-2504.20955"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/egret-1-pretrained-neural-network-potentials-for-efficient-and-accurate-bioorganic-simulation-2504.20955"/></url>
<url><loc>https://scifaro.com/en/abs/systematically-improved-potential-energy-surfaces-via-sinnn-models-and-sparse-grid-sampling-2504.21381</loc><lastmod>2026-03-31</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/systematically-improved-potential-energy-surfaces-via-sinnn-models-and-sparse-grid-sampling-2504.21381"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/systematically-improved-potential-energy-surfaces-via-sinnn-models-and-sparse-grid-sampling-2504.21381"/></url>
<url><loc>https://scifaro.com/en/abs/imperfect-diffusion-controlled-reactions-on-a-torus-and-on-a-pair-of-balls-2504.21449</loc><lastmod>2025-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/imperfect-diffusion-controlled-reactions-on-a-torus-and-on-a-pair-of-balls-2504.21449"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/imperfect-diffusion-controlled-reactions-on-a-torus-and-on-a-pair-of-balls-2504.21449"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-eccentric-mixing-parameters-on-chaotic-characteristics-and-mixing-time-for-viscous-liquid-based-on-sound-decibels-2504.21621</loc><lastmod>2025-05-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-eccentric-mixing-parameters-on-chaotic-characteristics-and-mixing-time-for-viscous-liquid-based-on-sound-decibels-2504.21621"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-eccentric-mixing-parameters-on-chaotic-characteristics-and-mixing-time-for-viscous-liquid-based-on-sound-decibels-2504.21621"/></url>
<url><loc>https://scifaro.com/en/abs/reducing-weighted-ensemble-variance-with-optimal-trajectory-management-2504.21663</loc><lastmod>2026-02-10</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/reducing-weighted-ensemble-variance-with-optimal-trajectory-management-2504.21663"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/reducing-weighted-ensemble-variance-with-optimal-trajectory-management-2504.21663"/></url>
<url><loc>https://scifaro.com/en/abs/rovibrational-computation-of-h-3-with-permutationally-invariant-pekeris-coordinates-2504.21825</loc><lastmod>2025-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/rovibrational-computation-of-h-3-with-permutationally-invariant-pekeris-coordinates-2504.21825"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/rovibrational-computation-of-h-3-with-permutationally-invariant-pekeris-coordinates-2504.21825"/></url>
<url><loc>https://scifaro.com/en/abs/a-probabilistic-approach-to-system-environment-coupling-2505.00192</loc><lastmod>2025-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-probabilistic-approach-to-system-environment-coupling-2505.00192"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-probabilistic-approach-to-system-environment-coupling-2505.00192"/></url>
<url><loc>https://scifaro.com/en/abs/relativistic-two-component-double-ionization-potential-equation-of-motion-coupled-cluster-with-the-dirac-coulomb-breit-hamiltonian-2505.00499</loc><lastmod>2025-07-29</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/relativistic-two-component-double-ionization-potential-equation-of-motion-coupled-cluster-with-the-dirac-coulomb-breit-hamiltonian-2505.00499"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/relativistic-two-component-double-ionization-potential-equation-of-motion-coupled-cluster-with-the-dirac-coulomb-breit-hamiltonian-2505.00499"/></url>
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<url><loc>https://scifaro.com/en/abs/understanding-and-improving-transferability-in-machine-learned-activation-energy-predictors-2505.00604</loc><lastmod>2025-05-02</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/understanding-and-improving-transferability-in-machine-learned-activation-energy-predictors-2505.00604"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/understanding-and-improving-transferability-in-machine-learned-activation-energy-predictors-2505.00604"/></url>
<url><loc>https://scifaro.com/en/abs/effect-of-protein-environment-on-the-shape-resonances-of-rna-nucleobases-insights-from-a-model-system-2505.01020</loc><lastmod>2025-07-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/effect-of-protein-environment-on-the-shape-resonances-of-rna-nucleobases-insights-from-a-model-system-2505.01020"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/effect-of-protein-environment-on-the-shape-resonances-of-rna-nucleobases-insights-from-a-model-system-2505.01020"/></url>
<url><loc>https://scifaro.com/en/abs/x2c-hamiltonian-models-in-respect-bridging-accuracy-and-efficiency-2505.01088</loc><lastmod>2025-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/x2c-hamiltonian-models-in-respect-bridging-accuracy-and-efficiency-2505.01088"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/x2c-hamiltonian-models-in-respect-bridging-accuracy-and-efficiency-2505.01088"/></url>
<url><loc>https://scifaro.com/en/abs/toward-a-unified-theory-of-catalysis-2505.01213</loc><lastmod>2025-05-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/toward-a-unified-theory-of-catalysis-2505.01213"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/toward-a-unified-theory-of-catalysis-2505.01213"/></url>
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<url><loc>https://scifaro.com/en/abs/performing-all-atom-molecular-dynamics-simulations-of-intrinsically-disordered-proteins-with-replica-exchange-solute-tempering-2505.01860</loc><lastmod>2025-05-06</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/performing-all-atom-molecular-dynamics-simulations-of-intrinsically-disordered-proteins-with-replica-exchange-solute-tempering-2505.01860"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/performing-all-atom-molecular-dynamics-simulations-of-intrinsically-disordered-proteins-with-replica-exchange-solute-tempering-2505.01860"/></url>
<url><loc>https://scifaro.com/en/abs/development-of-machine-learned-interatomic-potentials-to-predict-structure-transport-and-reactivity-in-platinum-based-fuel-cells-2505.01963</loc><lastmod>2026-04-03</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/development-of-machine-learned-interatomic-potentials-to-predict-structure-transport-and-reactivity-in-platinum-based-fuel-cells-2505.01963"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/development-of-machine-learned-interatomic-potentials-to-predict-structure-transport-and-reactivity-in-platinum-based-fuel-cells-2505.01963"/></url>
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<url><loc>https://scifaro.com/en/abs/simulating-electronic-coherences-induced-by-conical-intersections-using-mash-application-to-attosecond-x-ray-spectroscopy-2505.05403</loc><lastmod>2025-05-09</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/simulating-electronic-coherences-induced-by-conical-intersections-using-mash-application-to-attosecond-x-ray-spectroscopy-2505.05403"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/simulating-electronic-coherences-induced-by-conical-intersections-using-mash-application-to-attosecond-x-ray-spectroscopy-2505.05403"/></url>
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<url><loc>https://scifaro.com/en/abs/fractional-statistics-and-electron-transfer-at-topological-defects-2505.05617</loc><lastmod>2025-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/fractional-statistics-and-electron-transfer-at-topological-defects-2505.05617"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/fractional-statistics-and-electron-transfer-at-topological-defects-2505.05617"/></url>
<url><loc>https://scifaro.com/en/abs/a-mechanism-guided-inverse-engineering-framework-to-unlock-design-principles-of-h-bonded-organic-frameworks-for-gas-separation-2505.05749</loc><lastmod>2025-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/a-mechanism-guided-inverse-engineering-framework-to-unlock-design-principles-of-h-bonded-organic-frameworks-for-gas-separation-2505.05749"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/a-mechanism-guided-inverse-engineering-framework-to-unlock-design-principles-of-h-bonded-organic-frameworks-for-gas-separation-2505.05749"/></url>
<url><loc>https://scifaro.com/en/abs/how-salt-solvation-slows-water-dynamics-while-blue-shifting-its-dielectric-spectrum-2505.05995</loc><lastmod>2025-05-12</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/how-salt-solvation-slows-water-dynamics-while-blue-shifting-its-dielectric-spectrum-2505.05995"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/how-salt-solvation-slows-water-dynamics-while-blue-shifting-its-dielectric-spectrum-2505.05995"/></url>
<url><loc>https://scifaro.com/en/abs/efficient-long-range-machine-learning-force-fields-for-liquid-and-materials-properties-2505.06462</loc><lastmod>2025-08-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/efficient-long-range-machine-learning-force-fields-for-liquid-and-materials-properties-2505.06462"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/efficient-long-range-machine-learning-force-fields-for-liquid-and-materials-properties-2505.06462"/></url>
<url><loc>https://scifaro.com/en/abs/conformally-coated-nickel-carbon-nitride-on-structured-pyrolytic-carbon-electrodes-for-enhanced-hydrogen-evolution-2505.06627</loc><lastmod>2025-06-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/conformally-coated-nickel-carbon-nitride-on-structured-pyrolytic-carbon-electrodes-for-enhanced-hydrogen-evolution-2505.06627"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/conformally-coated-nickel-carbon-nitride-on-structured-pyrolytic-carbon-electrodes-for-enhanced-hydrogen-evolution-2505.06627"/></url>
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<url><loc>https://scifaro.com/en/abs/equation-of-motion-coupled-cluster-variants-in-combination-with-perturbative-triples-corrections-in-strong-magnetic-fields-2505.06976</loc><lastmod>2025-10-08</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/equation-of-motion-coupled-cluster-variants-in-combination-with-perturbative-triples-corrections-in-strong-magnetic-fields-2505.06976"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/equation-of-motion-coupled-cluster-variants-in-combination-with-perturbative-triples-corrections-in-strong-magnetic-fields-2505.06976"/></url>
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<url><loc>https://scifaro.com/en/abs/unraveling-exciton-trap-dynamics-and-nonradiative-loss-pathways-in-quantum-dots-via-atomistic-simulations-2505.07230</loc><lastmod>2025-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/unraveling-exciton-trap-dynamics-and-nonradiative-loss-pathways-in-quantum-dots-via-atomistic-simulations-2505.07230"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/unraveling-exciton-trap-dynamics-and-nonradiative-loss-pathways-in-quantum-dots-via-atomistic-simulations-2505.07230"/></url>
<url><loc>https://scifaro.com/en/abs/analytical-gradients-of-random-phase-approximation-plus-corrections-from-renormalized-single-excitations-2505.07357</loc><lastmod>2025-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/analytical-gradients-of-random-phase-approximation-plus-corrections-from-renormalized-single-excitations-2505.07357"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/analytical-gradients-of-random-phase-approximation-plus-corrections-from-renormalized-single-excitations-2505.07357"/></url>
<url><loc>https://scifaro.com/en/abs/valence-photoelectron-spectra-of-thiouracils-in-the-gas-phase-2505.07361</loc><lastmod>2025-08-27</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/valence-photoelectron-spectra-of-thiouracils-in-the-gas-phase-2505.07361"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/valence-photoelectron-spectra-of-thiouracils-in-the-gas-phase-2505.07361"/></url>
<url><loc>https://scifaro.com/en/abs/optimizing-machine-learning-potentials-for-hydroxide-transport-surprising-efficiency-of-single-concentration-training-2505.07580</loc><lastmod>2025-05-13</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/optimizing-machine-learning-potentials-for-hydroxide-transport-surprising-efficiency-of-single-concentration-training-2505.07580"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/optimizing-machine-learning-potentials-for-hydroxide-transport-surprising-efficiency-of-single-concentration-training-2505.07580"/></url>
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<url><loc>https://scifaro.com/en/abs/benchmarking-distinguishable-cluster-methods-to-platinum-standard-ccsdt-q-non-covalent-interaction-energies-in-the-a24-dataset-2505.08483</loc><lastmod>2025-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/benchmarking-distinguishable-cluster-methods-to-platinum-standard-ccsdt-q-non-covalent-interaction-energies-in-the-a24-dataset-2505.08483"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/benchmarking-distinguishable-cluster-methods-to-platinum-standard-ccsdt-q-non-covalent-interaction-energies-in-the-a24-dataset-2505.08483"/></url>
<url><loc>https://scifaro.com/en/abs/building-block-aware-generative-modeling-for-3d-crystals-of-metal-organic-frameworks-2505.08531</loc><lastmod>2025-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/building-block-aware-generative-modeling-for-3d-crystals-of-metal-organic-frameworks-2505.08531"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/building-block-aware-generative-modeling-for-3d-crystals-of-metal-organic-frameworks-2505.08531"/></url>
<url><loc>https://scifaro.com/en/abs/an-excitation-matched-local-correlation-approach-to-excited-state-specific-perturbation-theory-2505.08659</loc><lastmod>2025-05-14</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/an-excitation-matched-local-correlation-approach-to-excited-state-specific-perturbation-theory-2505.08659"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/an-excitation-matched-local-correlation-approach-to-excited-state-specific-perturbation-theory-2505.08659"/></url>
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<url><loc>https://scifaro.com/en/abs/the-open-molecules-2025-omol25-dataset-evaluations-and-models-2505.08762</loc><lastmod>2026-03-05</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/the-open-molecules-2025-omol25-dataset-evaluations-and-models-2505.08762"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/the-open-molecules-2025-omol25-dataset-evaluations-and-models-2505.08762"/></url>
<url><loc>https://scifaro.com/en/abs/enhanced-performance-of-highly-activated-carbon-and-surface-treated-porous-polymers-as-physical-adsorbents-for-chemical-warfare-agents-2505.08802</loc><lastmod>2025-05-23</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/enhanced-performance-of-highly-activated-carbon-and-surface-treated-porous-polymers-as-physical-adsorbents-for-chemical-warfare-agents-2505.08802"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/enhanced-performance-of-highly-activated-carbon-and-surface-treated-porous-polymers-as-physical-adsorbents-for-chemical-warfare-agents-2505.08802"/></url>
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<url><loc>https://scifaro.com/en/abs/electrochemical-performance-and-diffusion-kinetics-of-a-nasicon-type-na-3-3-mn-1-2-ti-0-75-mo-0-05-po-4-3-c-cathode-for-low-cost-sodium-ion-batteries-2505.10572</loc><lastmod>2025-10-01</lastmod><xhtml:link rel="alternate" hreflang="en" href="https://scifaro.com/en/abs/electrochemical-performance-and-diffusion-kinetics-of-a-nasicon-type-na-3-3-mn-1-2-ti-0-75-mo-0-05-po-4-3-c-cathode-for-low-cost-sodium-ion-batteries-2505.10572"/><xhtml:link rel="alternate" hreflang="x-default" href="https://scifaro.com/en/abs/electrochemical-performance-and-diffusion-kinetics-of-a-nasicon-type-na-3-3-mn-1-2-ti-0-75-mo-0-05-po-4-3-c-cathode-for-low-cost-sodium-ion-batteries-2505.10572"/></url>
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