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$^7$Li and $^1$H NMR and magnetization measurements in \lpc (Pc$\equiv$C$_{32}$H$_{16}$N$_8$), recently proposed as a strongly correlated metal, are presented. Two different low-frequency dynamics are evidenced. The first one, probed by…

强关联电子 · 物理学 2015-06-25 M. Filibian , P. Carretta , T. Miyake , Y. Taguchi , Y. Iwasa

We have used a self-consistent Skyrme-Hartree-Fock plus Continuum-RPA model to study the low-multipole response of stable and neutron/proton-rich Ni and Sn isotopes. We focus on the momentum-transfer dependence of the strength distribution,…

核理论 · 物理学 2007-05-23 P. Papakonstantinou , E. Mavrommatis , J. Wambach , V. Yu. Ponomarev

Confined hydration and conformational flexibility are some of the challenges encountered for the rational design of selective antagonists of G-protein coupled receptors. We present a set of C3-substituted (-)-stepholidine derivatives as…

NMR spectroscopy is an excellent tool for monitoring in-situ chemical reactions. In particular, DOSY measurement is well suited to characterize transient species by the determination of their sizes. However, here we bring to light a…

We present the results of $^{69,71}$Ga-NMR measurements on an organic antiferromagnet $\lambda$-(BEDSe-TTF)$_2$GaCl$_4$ [BEDSe-TTF=bis(ethylenediseleno)tetrathiafulvalene], with comparison to reports on $\lambda$-(BETS)$_2$GaCl$_4$…

强关联电子 · 物理学 2022-12-14 N. Yasumura , T. Kobayashi , H. Taniguchi , S. Fukuoka , A. Kawamoto

We present a simple theory that uses thermodynamic parameters to predict the probability that a protein retains the wildtype structure after one or more random amino acid substitutions. Our theory predicts that for large numbers of…

The model dependence and the symmetry energy dependence of the core-crust transition properties for the neutron stars are studied using three different families of systematically varied extended relativistic mean field model. Several forces…

核理论 · 物理学 2015-06-23 A. Sulaksono , Naosad Alam , B. K. Agrawal

Ceramic samples, produced by conventional sintering method in ambient air, 6H-SrMnO$_3$(6H-SMO), 15R-BaMnO$_3$(15R-BMO), 4H-Ba$_{0.5}$Sr$_{0.5}$MnO$_3$(4H-BSMO) were studied. In the XRD measurements for SMO the new anomalies of the lattice…

Phi-values are experimental measures of how the kinetics of protein folding is changed by single-site mutations. Phi-values measure energetic quantities, but are often interpreted in terms of the structures of the transition state ensemble.…

生物大分子 · 定量生物学 2007-05-23 Claudia Merlo , Ken A. Dill , Thomas R. Weikl

The sensitivity of the native states of protein-like heteropolymers to mutations modelled as perturbations in the interaction potential between amino acids is studied. The stability threshold against mutations is shown to be zero for random…

软凝聚态物质 · 物理学 2009-10-30 Michele Vendruscolo , Amos Maritan , Jayanth R. Banavar

A surrogate data analysis is presented, which is based on the fluctuations of the ``entropy'' $S$ defined in the natural time-domain [Phys. Rev. E {\bf 68}, 031106, 2003]. This entropy is not a static one as, for example, the Shannon…

数据分析、统计与概率 · 物理学 2007-05-23 P. A. Varotsos , N. V. Sarlis , E. S. Skordas , M. S. Lazaridou

Energetically responsive residues of the 173 amino acid N-terminal domain of the cardiac Ryanodine receptor RyR2 are identified by a simple elastic net model. Residues that respond in a correlated way to fluctuations of spatially…

生物大分子 · 定量生物学 2011-11-23 Nazan B. Walpoth , Burak Erman

The electronic structure, magnetic properties and phase formation of hexagonal ferromagnetic Fe$_{3}$Sn-based alloys have been studied from first principles and by experiment. The pristine Fe$_{3}$Sn compound is known to fulfill all the…

The advances of machine-learned force fields have opened up molecular dynamics (MD) simulations for compounds for which ab-initio MD is too resource-intensive and phenomena for which classical force fields are insufficient. Here we describe…

材料科学 · 物理学 2024-08-07 Sebastian Bichelmaier , Jesús Carrete , Georg K. H. Madsen

We have analyzed the expressed manifestation of the anisotropy of surface energy density in the dynamics of ultrathin nanowires, which break up into disjointed clusters when annealed below their melting temperature. The breakup process is…

介观与纳米尺度物理 · 物理学 2020-03-27 Vyacheslav N. Gorshkov , Vladimir V. Tereshchuk , Pooya Sareh

Yields of equatorially emitted light isotopes, $1\le Z\le 14$, observed in ternary fission in the reaction $^{241}$Pu($n_{\rm th}$,f) are employed to determine apparent chemical equilibrium constants for low-temperature and low-density…

核实验 · 物理学 2021-01-04 J. B. Natowitz , H. Pais , G. Roepke , J. Gauthier , K. Hagel , M. Barbui , R. Wada

The frequencies of A, C, G and T in mitochondrial DNA vary among species due to unequal rates of mutation between the bases. The frequencies of bases at four-fold degenerate sites respond directly to mutation pressure. At 1st and 2nd…

种群与进化 · 定量生物学 2016-09-08 Daniel Urbina , Bin Tang , Paul G. Higgs

Summary: Coarse-grained normal mode analysis (NMA) is a fast computational technique to study the dynamics of biomolecules. Here we present the Najmanovich Research Group Toolkit for Elastic Networks (NRGTEN). NRGTEN is a Python toolkit…

生物大分子 · 定量生物学 2022-07-08 Olivier Mailhot , Rafael Najmanovich

We theoretically study the structural stability of $R$Fe$_{12}$ with the ThMn$_{12}$ structure ($R$: rare-earth elements, La, Pr, Nd, Sm, Gd, Dy, Ho, Er, Tm, Lu, Y, or Sc, or group-IV elements, Zr or Hf) based on density functional theory.…

材料科学 · 物理学 2020-08-04 Yosuke Harashima , Taro Fukazawa , Hiori Kino , Takashi Miyake

We present $^{75}$As Nuclear Magnetic and Quadrupole Resonance results (NMR, NQR) on a new set of LaFeAsO$_{1-x}$F$_x$ polycrystalline samples. Improved synthesis conditions led to more homogenized samples with better control of the…

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