Nonadiabatic dynamics of photoinduced proton-coupled electron transfer: Comparison of explicit and implicit solvent simulations

Keyphrases

• Proton-coupled Electron Transfer 100%
• Photoinduced 100%
• Implicit Solvent 100%
• Explicit Solvent 100%
• Nonadiabatic Dynamics 100%
• Solvent Dynamics 80%
• Solvent Molecules 40%
• Slow Time 40%
• Fasting Time 40%
• Solvent Relaxation 40%
• Relaxation Timescale 40%
• Electron Transfer System 40%
• Charge Transfer Dynamics 40%
• Solvent Approach 40%
• Energy Gap 20%
• Condensed Phase 20%
• Proton 20%
• Continuum Theory 20%
• Strongly Coupled 20%
• Electron Transfer 20%
• Electron Transfer Reaction 20%
• Non-equilibrium 20%
• Solute 20%
• Proton Transfer 20%
• Bond Model 20%
• Ultrafast Dynamics 20%
• Dielectric Response 20%
• Electron Transfer Mechanism 20%
• Dielectric Continuum 20%
• Generalized Langevin Equation 20%
• Solvation Shell 20%
• Equilibrium Molecular Dynamics Simulation 20%
• Librational Motion 20%
• Surface Hopping 20%
• Bulk Solvent 20%
• Four States 20%
• Reactions in Solution 20%
• Explicit Solvent Simulations 20%
• Empirical Valence Bond 20%
• Vibronic 20%
• Phase System 20%
• Hopping Trajectory 20%
• Non-adiabatic Surface 20%
• Solvent Treatment 20%

Chemistry

• Electron Transport 100%
• Relaxation 80%
• Condensed Phase 20%
• Band Gap 20%
• Molecular Dynamics 20%
• Dielectric Material 20%
• Solvation 20%
• Proton Transfer 20%
• Bond Model 20%
• Nonequilibrium 20%
• Dielectric Response 20%
• Transfer Process 20%
• Langevin Equation 20%
• Empirical Valence Bond 20%