Investigating photoinduced proton coupled electron transfer reaction using quasi diabatic dynamics propagation

Keyphrases

• Photoinduced 100%
• Proton-coupled Electron Transfer 100%
• Electron Transfer Reaction 100%
• Dynamic Propagation 100%
• Diabatic 100%
• Quantum Dynamics 66%
• Dynamic Approach 33%
• Proton 33%
• Electronic Structure Calculations 33%
• Numerical Results 16%
• Electron Transfer Dynamics 16%
• Density Matrix 16%
• Path Integral Approach 16%
• Vibrational Relaxation 16%
• Kinetic Isotope Effect 16%
• Matrix Path 16%
• Proton Tunneling 16%
• Vibronic States 16%
• Reaction Regime 16%

Chemistry

• Electron Transport 100%
• Electron Transfer 100%
• Transfer Reaction 100%
• Quantum Dynamics 80%
• Electronic State 40%
• Density Matrix 20%
• Vibrational Relaxation 20%
• Kinetic Isotope Effect 20%
• Path Integral 20%