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

156. B. Auer, A. V. Soudackov, and S. Hammes-Schiffer, “Nonadiabatic dynamics of photoinduced proton-coupled electron transfer: Comparison of explicit and implicit solvent simulations,” J. Phys. Chem. B 116, 7695-7708 (2012).

You might also like
Dynamics of photoinduced proton-coupled electron transfer at molecule-semiconductor interfaces: A reduced density approach
Proton-coupled electron transfer versus hydrogen atom transfer: Generation of charge-localized diabatic states
Proton-coupled electron transfer in solution, proteins, and electrochemistry
Proton quantization and vibrational relaxation in nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex
The role of intact hydrogen-bond networks in multiproton-coupled electron transfer
Buffer-assisted proton-coupled electron transfer in a model rhenium-tyrosine complex
Active nickel phlorin intermediate formed by proton-coupled electron transfer in hydrogen evolution mechanism
Electrochemical proton-coupled electron transfer of an osmium aquo complex: Theoretical analysis of asymmetric Tafel plots and transfer coefficients