Add to ORKGThe dielectric properties of ice Ih are studied using a Monte Carlo algorithm for sampling over proton configurations. The algorithm makes possible the calculation of the dielectric constant and other properties of the proton-disordered crystal. Results are presented for three classical models of water, two commonly used nonpolarizable models (SPC/E and TIP4P) and a polarizable model(TIP4P-FQ)
A method of free energy calculation is proposed, which enables to cover a wide range of pressure and...
Ordinary water ice forms under ambient conditions and has two polytypes, hexagonal ice (Ih) and cubi...
An NVT Metropolis Monte Carlo computer simulation is used to examine the P-T behavior of a constant-...
The dielectric properties of ice Ih are studied using a Monte Carlo algorithm for sampling over prot...
Computer simulations of ice Ih with different proton orientations are presented. Simulations of prot...
Water is the most important liquid on the earth, yet the physics behind many properties of water is ...
Computational studies are presented examining the degree of proton disorder in argon and molecular h...
Computational studies are presented examining the degree of proton disorder in argon and molecular h...
The dielectric properties of the hydrogen disordered hexagonal phase (Ih) of water ice have been com...
Ice Ih, ordinary ice at atmospheric pressure, is a proton-disordered crystal that when cooled under ...
Ice Ih is comprised of orientationally disordered water molecules giving rise to positional disorder...
ABSTRACT: Several proton-disordered crystalline ice structures are known to proton order at sufficie...
© the Owner Societies. A microscopic model of the dielectric relaxation of ice at low temperatures i...
We report computer simulation results of free energies of proton-disordered hexagonal ice and liquid...
The temperature dependence of the thermodynamic and dynamical properties of liquid water using the p...
A method of free energy calculation is proposed, which enables to cover a wide range of pressure and...
Ordinary water ice forms under ambient conditions and has two polytypes, hexagonal ice (Ih) and cubi...
An NVT Metropolis Monte Carlo computer simulation is used to examine the P-T behavior of a constant-...
The dielectric properties of ice Ih are studied using a Monte Carlo algorithm for sampling over prot...
Computer simulations of ice Ih with different proton orientations are presented. Simulations of prot...
Water is the most important liquid on the earth, yet the physics behind many properties of water is ...
Computational studies are presented examining the degree of proton disorder in argon and molecular h...
Computational studies are presented examining the degree of proton disorder in argon and molecular h...
The dielectric properties of the hydrogen disordered hexagonal phase (Ih) of water ice have been com...
Ice Ih, ordinary ice at atmospheric pressure, is a proton-disordered crystal that when cooled under ...
Ice Ih is comprised of orientationally disordered water molecules giving rise to positional disorder...
ABSTRACT: Several proton-disordered crystalline ice structures are known to proton order at sufficie...
© the Owner Societies. A microscopic model of the dielectric relaxation of ice at low temperatures i...
We report computer simulation results of free energies of proton-disordered hexagonal ice and liquid...
The temperature dependence of the thermodynamic and dynamical properties of liquid water using the p...
A method of free energy calculation is proposed, which enables to cover a wide range of pressure and...
Ordinary water ice forms under ambient conditions and has two polytypes, hexagonal ice (Ih) and cubi...
An NVT Metropolis Monte Carlo computer simulation is used to examine the P-T behavior of a constant-...