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Polyethylene (PE) chains, with CH2 groups replaced by CBr2 at regular intervals ("precision PE"), have been observed to exhibit competing polymorphs driven by a preference for quantized fold lengths by Tasaki et al. Motivated by this recent…
The yet virtually unexplored class of soft colloidal rods with small aspect ratio is investigated and shown to exhibit a very rich phase and dynamic behavior, spanning from liquid to nearly melt state. Instead of nematic order, these short…
This study aimed primarily at completing and extending the characterization of the crystallographic, spectroscopic and optical properties of polar, biaxial, optically negative 2-aminopyrimidinium(1+) hydrogen phosphite. Besides the…
This study reveals the essence of ligand recognition mechanisms by which calmodulin (CaM) controls a variety of Ca2+ signaling processes. We study eight forms of calcium-loaded CaM each with distinct conformational states. Reducing the…
Computational fluid dynamics (CFD) is increasingly used to study blood flows in patient-specific arteries for understanding certain cardiovascular diseases. The techniques work quite well for relatively simple problems, but need…
Electronic structure calculations are used to analyze the electronic and magnetic properties in {K$_{2}$Fe$_{4+x}$Se$_{5}$}. Fe atoms can be divided into two distinct groups. The $x{=}0$ (parent) compound forms an insulating, collinear,…
The low-excitation states of atomic nuclei in the region around the $N = Z = 28$ shell closure are generally well described by the shell model. Most experimental observables in the iron isotopes $^{56}$Fe, $^{58}$Fe, and $^{60}$Fe ($Z =…
Two-dimensional materials can stabilize crystal structures that are absent from their bulk counterparts, offering opportunities for materials design. Here, we report the synthesis of a previously unknown hexagonal Fe$_2$S$_2$ single layer…
Although copper and bismuth do not form any compounds at ambient conditions, two intermetallics, CuBi and Cu$_{11}$Bi$_7$, were recently synthesized at high pressures. Here we report on the discovery of additional copper-bismuth phases at…
Recently, the superconductivity in a metal-organic framework (MOF) has been discovered for the first time in copper(II) benzenehexathiolate ([Cu$_3$(C$_6$S$_6$)]$_n$, Cu-BHT). The Cu atoms form a two-dimensional perfect Kagome lattice,…
The standard theory of metals, Fermi liquid theory, hinges on the key assumption that although the electrons interact, the low-energy excitation spectrum stands in a one-to-one correspondence with that of a non-interacting system. In the…
In the light of recent experimental results on $\theta_{13}^{pmns}$, we re-investigate the complementarity between the quark and lepton mixing matrices and obtain predictions for most unsettled neutrino mixing parameters like…
We study the influence of truncating the electrostatic interactions in a fully hydrated pure dipalmitoylphosphatidylcholine (DPPC) bilayer through 20 ns molecular dynamics simulations. The computations in which the electrostatic…
A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic…
Water absorption in the metal-organic framework (MOF) material Cu-BTC, up to a concentration of 3.5 H$_2$O per Cu ion, is studied via density functional theory at the meta-GGA+U level. The stable arrangements of water molecules show chains…
Present paper reports, the structural, microstructural, electrical, dielectric properties and ion dynamics of a sodium based solid polymer electrolyte films comprising of PEO8-NaPF6+ x wt. % SN. The structural and surface morphology…
We report neutron scattering measurements, which reveal spin-liquid polymorphism in a '11' iron chalcogenide superconductor, a poorly-metallic magnetic FeTe tuned towards superconductivity by substitution of a small amount of Tellurium with…
We delineate the quark-hadron continuity by constructing QCD equations of state for neutron star dynamics, covering the wide range of charge chemical potential ($\mu_Q$) and temperatures ($T$). Based on the nuclear-2SC continuity scenario,…
We perform numerical magnetohydrodynamic (MHD) simulations of the gravitational collapse and fragmentation of a cylindrical molecular cloud with the help of the FLASH code. The cloud collapses rapidly along its radius without any signs of…
The dynamical spin susceptibility as relevant for underdoped cuprates is analysed within the memory-function (MeF) approach. A phenomenological damping function combined with a $T$-independent sum rule is used to describe the anomalous…