Theoretical analysis of the sequential proton-coupled electron transfer mechanisms for H2 oxidation and production pathways catalyzed by nickel molecular electrocatalysts

151. L. E. Fernandez, S. Horvath, and S. Hammes-Schiffer, “Theoretical analysis of the sequential proton-coupled electron transfer mechanisms for H2 oxidation and production pathways catalyzed by nickel molecular electrocatalysts,” J. Phys. Chem. C 116, 3171-3180 (2012).

You might also like
Concerted one-electron two-proton transfer processes in models inspired by the Tyr-His couple of photosystem II
Tuning the ultrafast dynamics of photoinduced proton-coupled electron transfer in energy conversion processes
Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production
Impact of mutations on the binding pocket of soybean lipoxygenase: Implications for proton-coupled electron transfer
Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel.
Proton-coupled electron transfer reactions in solution: molecular dynamics with quantum transitions for model systems
Molecular dynamics simulation of proton-coupled electron transfer in solution
Theoretical study of C-H bond cleavage via concerted proton-coupled electron transfer in fluorenyl-benzoates