The dynamical properties of liquid hydrogen fluoride are investigated by a molecular dynamics study of the correlation functions relevant for a generalized hydrodynamics description of transport coefficients. The results are compared with the corresponding ones in liquid water in order to understand the role of hydrogen bonding in the two systems. The different behavior can ultimately be attributed to the arrangement of the molecules, which form irregular chains in HF and a tetrahedral network in water. For the two systems, the differences between experimentally measurable quantities are also pointed out and discussed. (C) 2000 American Institute of Physic
Liquid water is a particularly complex molecular liquid. This is due essentially to the intermolecul...
We present a first-principles simulation study of vibrational spectral diffusion and hydrogen-bond d...
We analyze the correlated motions of hydrogen bonded clusters in liquid hydrogen fluoride, methanol,...
We have performed an ab initio mol. dynamics (MD) simulation of the structure of liq. hydrogen fluor...
The role of hydrogen bonding in the determination of the dynamical properties of liquids is investig...
The local hydrogen-bonding structure and dynamics of liquid water have been investigated using the C...
International audienceThe local hydrogen-bonding structure and dynamics of liquid water have been in...
The local hydrogen-bonding structure and dynamics of liquid water have been investigated using the C...
The local hydrogen-bonding structure and dynamics of liquid water have been investigated using the C...
Short, bent, strongly hydrogen-bonded chains, with strong interchain interactions and very little br...
The dynamics of the hydrogen bonded network in liquid water is studied by means of molecular dynamic...
Short, bent, strongly hydrogen-bonded chains, with strong interchain interactions and very little br...
The electronic properties of liquid hydrogen fluoride (HF) were investigated by carrying out sequent...
Dynamical properties of water up to the supercooled region are analyzed by explicitly taking into ac...
We have performed molecular dynamics simulations of liquid water at 298 and 258 K to investigate the...
Liquid water is a particularly complex molecular liquid. This is due essentially to the intermolecul...
We present a first-principles simulation study of vibrational spectral diffusion and hydrogen-bond d...
We analyze the correlated motions of hydrogen bonded clusters in liquid hydrogen fluoride, methanol,...
We have performed an ab initio mol. dynamics (MD) simulation of the structure of liq. hydrogen fluor...
The role of hydrogen bonding in the determination of the dynamical properties of liquids is investig...
The local hydrogen-bonding structure and dynamics of liquid water have been investigated using the C...
International audienceThe local hydrogen-bonding structure and dynamics of liquid water have been in...
The local hydrogen-bonding structure and dynamics of liquid water have been investigated using the C...
The local hydrogen-bonding structure and dynamics of liquid water have been investigated using the C...
Short, bent, strongly hydrogen-bonded chains, with strong interchain interactions and very little br...
The dynamics of the hydrogen bonded network in liquid water is studied by means of molecular dynamic...
Short, bent, strongly hydrogen-bonded chains, with strong interchain interactions and very little br...
The electronic properties of liquid hydrogen fluoride (HF) were investigated by carrying out sequent...
Dynamical properties of water up to the supercooled region are analyzed by explicitly taking into ac...
We have performed molecular dynamics simulations of liquid water at 298 and 258 K to investigate the...
Liquid water is a particularly complex molecular liquid. This is due essentially to the intermolecul...
We present a first-principles simulation study of vibrational spectral diffusion and hydrogen-bond d...
We analyze the correlated motions of hydrogen bonded clusters in liquid hydrogen fluoride, methanol,...