Methyl dynamics flattens barrier to proton transfer in crystalline tetraacetylethane

Chemistry

• Lattice Dynamics 100%
• Torsion 69%
• Proton Transfer 60%
• Double Well Potential 54%
• Proton 44%
• Neutron Scattering 41%
• Methyl Group 28%
• Gibbs Free Energy 25%
• Molecular Dynamics 24%
• Simulation 21%
• Density Functional Theory 20%
• Hydrogen Bond 20%
• Ambient Reaction Temperature 18%

Physics & Astronomy

• protons 43%
• torsion 32%
• hydrogen bonds 17%
• retraining 16%
• neutron scattering 14%
• free energy 13%
• density functional theory 12%
• molecular dynamics 12%
• temperature 9%
• room temperature 9%
• molecules 9%
• atoms 8%
• crystals 8%
• simulation 6%