Development of Polarizable Water Force Fields for Phase Equilibrium Calculations

Chemistry

• Phase Equilibria 100%
• Intermolecular Potential 100%
• Dielectric Constant 66%
• electronics 66%
• Permittivity 66%
• Dioxygen 33%
• Liquid Water 33%
• Dipole Moment 33%
• Monte Carlo Method 33%
• Gibbs Free Energy 33%
• Ambient Reaction Temperature 33%
• Saturated Liquid 33%
• Canonical Ensemble 33%
• Isothermal Ensemble 33%
• Saturated Vapor 33%
• Liquid Structure 33%
• Heat of Vaporization 33%
• Lennard-Jones 33%

Material Science

• Permittivity 100%
• Density 50%
• Liquid Water 50%
• Density of Gases 50%
• Energy Levels 50%
• Gibbs Free Energy 50%

Keyphrases

• Water Forces 100%
• Coexistence Line 12%