Ab initio molecular dynamics study of proton mobility in liquid methanol

Physics & Astronomy

• methyl alcohol 100%
• molecular dynamics 70%
• protons 63%
• liquids 51%
• enthalpy 21%
• nuclear magnetic resonance 19%
• activation 19%
• density functional theory 18%
• electronic structure 18%
• formulations 16%
• gradients 15%
• defects 13%
• approximation 12%
• simulation 9%

Chemical Compounds

• Compound Mobility 74%
• Proton 63%
• Methanol 59%
• Liquid 52%
• Molecular Dynamics 18%
• Electronic State 17%
• NMR Spectroscopy 16%
• Density Functional Theory 15%
• Length 14%