Development of the TraPPE-UA force field for ethylene oxide

Keyphrases

• Force Field 100%
• Vapor Pressure 100%
• TraPPE 100%
• Ethylene Oxide 100%
• Monte Carlo Simulation 50%
• Electrostatic Interaction 50%
• Heat Capacity 50%
• Oxirane 50%
• Normal Boiling Point 50%
• Grand Canonical Ensemble 50%
• Isothermal Compressibility 50%
• Heat of Vaporization 50%
• Vaporization Pressure 50%
• Dispersive Interactions 50%
• United Atom Force Field 50%
• Histogram Reweighting 50%

Chemistry

• Ethylene 100%
• Vapor Pressure 100%
• Oxide 100%
• Electrostatic Interaction 50%
• Monte Carlo Method 50%
• Oxirane 50%
• Boiling Point 50%
• Isothermal Compressibility 50%
• Canonical Ensemble 50%
• Heat Capacity 50%
• Heat of Vaporization 50%