Ab initio molecular dynamics simulations of molecular crystals

Keyphrases

• Molecular Crystals 100%
• Ab Initio Molecular Dynamics Simulation 100%
• Methyl Groups 50%
• Proton 50%
• Hydrogen Bonds (H-bonds) 50%
• Proton Transfer 50%
• Dihydrate 50%
• Simulation Techniques 50%
• Hydrogen Chloride 50%
• Car-Parrinello 50%
• Solid Nitromethane 50%

Chemistry

• Molecular Dynamics 100%
• Molecular Crystal 100%
• Proton Transfer 50%
• Methyl Group 50%
• Hydrogen Bonding 50%
• Hydrogen Chloride 50%
• Nitromethane 50%

Material Science

• Molecular Crystal 100%
• Hydrogen Bonding 50%