Development of Polarizable Water Force Fields for Phase Equilibrium Calculations

Engineering & Materials Science

• Phase equilibria 100%
• Liquids 54%
• Water 44%
• Density of liquids 41%
• Permittivity 27%
• Vapors 24%
• Dipole moment 21%
• Temperature 16%
• Vaporization 15%
• Oxygen 11%
• Sampling 9%
• Hot Temperature 6%
• Experiments 4%

Chemical Compounds

• Phase Equilibrium 95%
• Force 55%
• Intermolecular Potential 36%
• Dielectric Constant 16%
• Canonical Ensemble 13%
• Saturated Liquid 13%
• Liquid Structure 12%
• Saturated Vapour 12%
• Liquid 9%
• Monte Carlo Method 9%
• Vaporization 9%
• Phase Equilibria 9%
• Dipole Moment 8%
• Sampling 7%
• Reaction Yield 7%
• Heat 6%
• Molecular Cluster 5%
• Simulation 5%
• Ambient Reaction Temperature 5%
• Dioxygen 4%

Physics & Astronomy

• field theory (physics) 83%
• water 46%
• liquids 29%
• vapors 20%
• liquid phases 15%
• heat of vaporization 12%
• permittivity 12%
• liquid-vapor equilibrium 10%
• curves 10%
• electronics 9%
• dipole moments 8%
• performance 8%
• sampling 7%
• simulation 6%
• dipoles 6%
• oxygen 5%
• room temperature 5%
• configurations 4%
• interactions 3%
• temperature 2%
• energy 2%