Molecular dynamics results on water con fined in a silica pore in the lowhydration regime are presented. Strong layering effects are found due to the hydrophilic character of the substrate. The local properties of water are studied as a function of both temperature and hydration level. The interaction of the thin films of water with the silica atoms induces a strong distortion of the hydrogen bond network. The residence time of the water molecules is dependent on the distance from the surface. Its behaviour shows a transition from a Brownian to a non-Brownian regime on approaching the substrate in agreement with results found in studies of water in contact with globular proteins. The confined liquid at low hydration shows upon supercooling ...
Molecular dynamics simulations of SPC/E water confined in a silica pore are presented. The simulatio...
International audienceThis paper reports on a molecular simulation study of the thermodynamics, stru...
In nature, water is often found in contact with surfaces that are extended on the scale of molecule ...
Molecular dynamics results on water confined in a silica pore in the low hydration regime are presen...
Molecular-dynamics results on water confined in a silica pore are reviewed and discussed in connecti...
The mobility of water molecules confined in a silica pore is studied by computer simulation in the l...
We present the results of molecular dynamics simulations on water confined in a silica pore of 15 °...
A molecular dynamics simulation of SPC/E water confined in a realistic silica pore is presented. The...
A molecular dynamics simulation of SPC/E water confined in a realistic silica pore is presented. The...
A molecular dynamics simulation of SPC/E water confined in a Silica pore is presented. The pore has ...
In biological cells, water is confined by macromolecules. Additionally, huge amounts of water are co...
Single particle dynamics of water confined in a nanopore is studied through computer molecular dynam...
We have measured the hydration-level dependence of the single-particle dynamics of water confined in...
Single particle dynamics of water confined in a nanopore is studied through computer molecular dynam...
A molecular dynamics simulation of the microscopic structure of water confined in a silica pore is p...
Molecular dynamics simulations of SPC/E water confined in a silica pore are presented. The simulatio...
International audienceThis paper reports on a molecular simulation study of the thermodynamics, stru...
In nature, water is often found in contact with surfaces that are extended on the scale of molecule ...
Molecular dynamics results on water confined in a silica pore in the low hydration regime are presen...
Molecular-dynamics results on water confined in a silica pore are reviewed and discussed in connecti...
The mobility of water molecules confined in a silica pore is studied by computer simulation in the l...
We present the results of molecular dynamics simulations on water confined in a silica pore of 15 °...
A molecular dynamics simulation of SPC/E water confined in a realistic silica pore is presented. The...
A molecular dynamics simulation of SPC/E water confined in a realistic silica pore is presented. The...
A molecular dynamics simulation of SPC/E water confined in a Silica pore is presented. The pore has ...
In biological cells, water is confined by macromolecules. Additionally, huge amounts of water are co...
Single particle dynamics of water confined in a nanopore is studied through computer molecular dynam...
We have measured the hydration-level dependence of the single-particle dynamics of water confined in...
Single particle dynamics of water confined in a nanopore is studied through computer molecular dynam...
A molecular dynamics simulation of the microscopic structure of water confined in a silica pore is p...
Molecular dynamics simulations of SPC/E water confined in a silica pore are presented. The simulatio...
International audienceThis paper reports on a molecular simulation study of the thermodynamics, stru...
In nature, water is often found in contact with surfaces that are extended on the scale of molecule ...