| 1 |
Adiabatic nuclear and electronic sampling Monte Carlo simulations in the Gibbs ensemble: Application to polarizable force fields for water
Chen B, Potoff JJ, Siepmann JI
Journal of Physical Chemistry B, 104(10), 2378, 2000 |
| 2 |
Flexible molecular models for molecular dynamics study of near and supercritical water
Liew CC, Inomata H, Arai K
Fluid Phase Equilibria, 144(1-2), 287, 1998 |
| 3 |
The effect of solvent density inhomogeneities on solute dynamics in supercritical fluids : A theoretical perspective
Tucker SC, Maddox MW
Journal of Physical Chemistry B, 102(14), 2437, 1998 |
| 4 |
Dynamics of Solvation in Supercritical Water
Re M, Laria D
Journal of Physical Chemistry B, 101(49), 10494, 1997 |
| 5 |
Molecular-Dynamics Simulation of Realistic Systems
Cummings PT
Fluid Phase Equilibria, 116(1-2), 237, 1996 |
| 6 |
Temperature and Density Effects on the High-Temperature Ionic Speciation in Dilute Na+/Cl- Aqueous-Solutions
Chialvo AA, Cummings PT, Simonson JM, Mesmer RE
Journal of Chemical Physics, 105(20), 9248, 1996 |
| 7 |
Microstructure of Ambient and Supercritical Water - Direct Comparison Between Simulation and Neutron-Scattering Experiments
Chialvo AA, Cummings PT
Journal of Physical Chemistry, 100(4), 1309, 1996 |
| 8 |
Molecular-Dynamics Simulation of Electrolyte-Solutions in Ambient and Supercritical Water .1. Ion Solvation
Balbuena PB, Johnston KP, Rossky PJ
Journal of Physical Chemistry, 100(7), 2706, 1996 |
| 9 |
A Continuum Solvation Model Including Electrostriction - Application to the Anisole Hydrolysis Reaction in Supercritical Water
Luo HQ, Tucker SC
Journal of Physical Chemistry, 100(26), 11165, 1996 |
| 10 |
Prediction of the Free-Energy of Dilute Aqueous Methane, Ethane, and Propane at Temperatures from 600 to 1200-Degrees-C and Densities from 0 to 1 G cm(-3) Using Molecular-Dynamics Simulations
Lin CL, Wood RH
Journal of Physical Chemistry, 100(40), 16399, 1996 |
