Free energy based melting point prediction by NVT simulation with solid-liquid two-phase configuration

Physics & Astronomy

• argon 20%
• benzene 25%
• configurations 56%
• estimates 15%
• free energy 85%
• Gibbs free energy 30%
• liquid phases 22%
• liquids 55%
• mannitol 42%
• melting points 100%
• predictions 56%
• simulation 40%
• solid phases 24%

Chemical Compounds

• Benzene 18%
• Gibbs Free Energy 79%
• Liquid 14%
• Mannitol 31%
• Melting Point 86%
• Pressure 15%
• Simulation 66%