Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. III. Molecules with partial charges at bulk phases, confined geometries and interfaces

Chemistry

• k·p perturbation theory 100%
• Liquid Interface 100%
• Perturbation Theory 100%
• Molecular Dynamics Simulation 100%
• Electrostatic Interaction 50%
• Interfacial Tension 50%
• Carbon Dioxide 50%
• Alkane 50%
• Nitrile 50%
• Helmholtz Free Energy 50%
• Density Functional Theory 50%
• Thermodynamics 50%
• Hydrophile 50%
• Molecular Conformation 50%