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- W2029994032 abstract "The role of nuclear tunneling in adiabatic electrochemical electron-transfer reactions is studied by applying the WKB approximation and the Quantum Kramers Theory to the ground-state potential energy surface calculated from an extended Anderson-Newns Hamiltonian. Reorganization of both solvent and ligand modes is considered. In the limit of vanishing electronic coupling analytical formulas are obtained for the temperature dependence of the activation parameters, which are valid over a practically unlimited temperature range. In the limit of high temperature, they are shown to be identical to expression derived from the non-adiabatic Levich-Dogonadze theory. The effect of friction and non-vanishing electronic coupling are studied and both are found to suppress the relative contribution of the nuclear tunneling to the overall reaction rate." @default.
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- W2029994032 date "1997-07-01" @default.
- W2029994032 modified "2023-10-16" @default.
- W2029994032 title "Quantum effects in adiabatic electrochemical electron-transfer reactions" @default.
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- W2029994032 doi "https://doi.org/10.1016/s0301-0104(97)00154-7" @default.
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