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

Physics & Astronomy

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

Chemical Compounds

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