An analysis of model proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approach

Keyphrases

• Liouville 100%
• Quantum Approach 100%
• Proton-coupled Electron Transfer Reactions 100%
• Adiabatic Surface 60%
• Proton-coupled Electron Transfer 40%
• Surface Hopping 40%
• Quantum Liouville Equation 40%
• Decoherence Effect 40%
• Equation-based 20%
• Molecular Dynamics 20%
• Surface Evolution 20%
• Electron Transfer Rate 20%
• Mean Surface 20%
• Surface Hopping Dynamics 20%
• Transition Surface 20%
• Coupling Conditions 20%
• Quantum Coherence 20%
• Quantum Transition 20%
• Nonadiabatic Dynamics 20%
• Algorithm-based 20%
• Protonics 20%

Physics

• Liouville Equation 100%
• Molecular Dynamics 50%
• Rate Constant 50%

Chemistry

• Electron Transport 100%
• Liouville Equation 28%
• Molecular Dynamics 14%
• Rate Constant 14%
• Quantum Transition 14%
• electronics 14%