Related papers: H-bonds in Crambin: Coherence in an alpha helix
We use high signal-to-noise ratio, high-resolution VLT-UVES data of Q J0643-5041 amounting to a total of more than 23 hours exposure time and fit the neutral hydrogen, metals and H2 absorption features with multiple-component Voigt…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with non--symmetrical hydrogen bonds. In our approach, the masses of the hydrogen nuclei are scaled…
Noise correlations, such as those observable in the time of flight images of a released cloud, are calculated for hard-core bosonic (HCB) atoms. We find that the standard mapping of HCB systems onto spin-1/2 XY models fails in application…
A search for heavy, narrow resonances decaying to a Higgs boson and a photon (H$\gamma$) has been performed in proton-proton collision data at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 35.9 fb$^{-1}$…
We suggest that the DNA molecules could form the cholesteric phase owing to an interaction mediated by the network of the hydrogen bonds (H-network) in the solvent. The model admits of the dependence of the optical activity of the solution…
Using a combination of high-level ab initio electronic structure methods with efficient on-the-fly semiclassical evaluation of nuclear dynamics, we performed a massive scan of small polyatomic molecules searching for a long lasting…
The unbinding process of a protein-ligand complex of major biological interest was investigated by means of a computational approach at atomistic classical mechanical level. An energy minimisation-based technique was used to determine the…
We study the coherence dynamics of a qubit coupled to a harmonic oscillator with both linear and quadratic interactions. As long as the linear coupling strength is much smaller than the oscillator frequency, the long time behavior of the…
Dynamics of hadro-quarkonium system is formulated, based on the channel coupling of a light hadron (h) and heavy quarkonium (Q\bar{Q}) to intermediate open-flavor heavy-light mesons (Q\bar{q}, \bar{Q}q). The resulting effective interaction…
Water is an associated liquid in which the main intermolecular interaction is the hydrogen bond (HB) which is limited to four per atom, independently of the number of neighbours. We have considered a hydrogen bond net superposed on Bernal's…
The structure of lamellar phases of symmetric $AB$ diblock copolymers in a thin film is investigated. We quantitatively compare the composition profiles and profiles of individual segments in self-consistent field calculations with Monte…
We study a model of one-dimensional fermionic atoms that can bind in pairs to form bosonic molecules. We show that at low energy, a coherence develops between the molecule and fermion Luttinger liquids. At the same time, a gap opens in the…
Hydrogen bonds (HBs) play an important role in the rotational dynamics of organic cations in hybrid organic/inorganic halide perovskites, affecting the structural and electronic properties of the perovskites. However, the properties and…
We propose an improved prediction method of the tertiary structures of $\alpha$-helical membrane proteins based on the replica-exchange method by taking into account helix deformations. Our method allows wide applications because…
Radial velocity fluctuations on the plane of the sky are a powerful tool for studying the turbulent dynamics of emission line regions. We conduct a systematic statistical analysis of the H alpha velocity field for a diverse sample of 9 H II…
The simplest model of DNA mechanics describes the double helix as a continuous rod with twist and bend elasticity. Recent work has discussed the relevance of a little-studied coupling $G$ between twisting and bending, known to arise from…
We present numerical evidence that the hopping of electrons between chains described by the $t-J$ model is coherent in the integrable cases ($J=0$ and $J=2$) and essentially incoherent otherwise. This effect is {\it not} related to the…
Hydrogen embrittlement remains a critical challenge in structural and electronic applications of copper (Cu) but its mechanism is still not fully understood. In this study, we combine density functional theory (DFT) and bond-order potential…
Transits in the H I 1216 A (Lyman alpha), O I 1334 A, C II 1335 A, and Si III 1206.5 A lines constrain the properties of the upper atmosphere of HD209458b. In addition to probing the temperature and density profiles in the thermosphere,…
Hemoglobin (Hgb) forms tetramers (dimerized dimers), which enhance its globular stability and may also facilitate small gas molecule transport, as shown by recent all-atom Newtonian solvated simulations. Hydropathic bioinformatic scaling…