Molecular dynamics simulation of proton-coupled electron transfer in solution

Engineering & Materials Science

• Protons 100%
• Electrons 83%
• Proton transfer 50%
• Computer simulation 45%
• Free energy 16%
• Molecules 13%
• Software packages 13%
• Hydrogen 11%

Physics & Astronomy

• electron transfer 83%
• molecular dynamics 59%
• protons 54%
• simulation 31%
• solutes 12%
• free energy 11%
• methodology 11%
• valence 10%
• computer programs 10%
• continuums 10%
• hydrogen 8%
• configurations 7%
• molecules 7%
• electronics 7%

Chemical Compounds

• Molecular Dynamics 61%
• Electron Transfer 57%
• Simulation 52%
• Solvent 38%
• Proton Transfer 24%
• Surface Free Energy 15%
• Valence 12%
• Solute 11%
• Hydrogen 7%
• Application 4%