相关论文: Imaging Hydrogen Bond in Real Space
Recent x-ray Compton scattering experiments in ice have provided useful information about the quantum nature of the interaction between H$_2$O monomers. The hydrogen bond is characterized by a certain amount of charge transfer which could…
Extensive molecular dynamics computer simulations have been conducted for ethanol-water liquid mixtures in the water-rich side of the composition range, with 10, 20 and 30 mol % of the alcohol, at temperatures between room temperature and…
A single water molecule has nothing special. However, macroscopic water displays many anomalous properties at the interface, such as a high surface tension, hydrophobicity and hydrophillicity. Although the underlying mechanism is still…
We show that multi-orbital and density-induced tunneling have a significant impact on the phase diagram of bosonic atoms in optical lattices. Off-site interactions lead to density-induced hopping, the so-called bond-charge interactions,…
It has been extensively demonstrated through first principles quantum mechanics calculations that water exhibits strong hydrogen bond cooperativity. Classical molecular simulation and statistical mechanics methods typically assume pairwise…
Bond-resolved STM (BRSTM) is a recent technique that combines the advantages of scanning tunneling microscopy (STM) with the outstanding intramolecular resolution provided by non-contact atomic force microscopy (ncAFM) using a…
We improve a lattice model of water introduced by Sastry, Debenedetti, Sciortino, and Stanley to give insight on experimental thermodynamic anomalies in supercooled phase, taking into account the correlations between intra-molecular…
The polarization discontinuity across interfaces in polar nitride-based heterostructures can lead to the formation of two-dimensional electron and hole gases. In the past, the observation of these electron and hole gases has been achieved…
{It is necessary to understand the dynamics of the atomic gas to use complex modeling and to carry out detailed comparisons between theoretical models and observations.}{In a companion paper, we present high resolution bidimensional…
Atomically thin transition metal dichalcogenides (TMDs) have distinct opto-electronic properties including enhanced luminescence and high on-off current ratios, which can be further modulated by making more complex TMD heterostructures.…
Context: Existing SWAS observations and future HIFI/Herschel data require a clear sense of the information content of water emission and absorption lines. Aims: Investigate wether the ground-state transition of ortho-H2O, 1_(10)-1_(01), at…
We present a comprehensive analysis of atomic hydrogen (HI) properties using a semi-analytical model of galaxy formation and N-body simulations covering a large cosmological volume at high resolution. We examine the HI mass function and the…
The most usual tracer of molecular gas is line emission from CO. However, the reliability of that tracer has long been questioned in environments different from the Milky Way. We study the relationship between H2 and CO abundances using a…
The electron-electron correlation term in two-atomic collision is the most important, most difficult term to obtain the effective interatomic potential. Generally the H and H collision is a four center problem. It is extremely difficult to…
The HDO/H2O abundance ratio is thought to be a key diagnostic on the evolution of water during the star- and planet-formation process and thus on its origin on Earth. We here present millimeter-wavelength high angular resolution…
The local intermolecular structure and related dynamics in the liquid cis-trans N-methylformamide mixture at ambient temperature and density conditions have been systematically studied by employing Born-Oppenheimer molecular dynamics…
Motivated by the observed connection between molecular hydrogen (H2) and star formation, we present a method for tracking the non-equilibrium abundance and cooling processes of H2 and H2-based star formation in Smoothed Particle…
The question of whether hydrogen atoms can exist or not in spaces with a number of dimensions greater than 3 is revisited, considering higher dimensional Euclidean spaces. Previous results which lead to different answers to this question…
The Hong-Ou-Mandel (HOM) effect is a striking demonstration of destructive quantum interference between pairs of indistinguishable bosons, realised so far only with massless photons. Here we propose an experiment which can realise this…
Investigation of intermolecular electron spin interaction is of fundamental importance in both science and technology.Here, radical pairs of all-trans retinoic acid molecules on Au(111) are created using an ultra-low temperature scanning…