On the evaluation of the rate constant of the heterogeneous non-adiabatic electron transfer reaction
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文摘

General characteristics of the rate constant of the non-adiabatic heterogeneous electron transfer are considered.

A series of the extensions of the Marcus approximation is suggested and studied.

The new approximate expressions for the rate constant of the non-adiabatic heterogeneous outer-sphere electron transfer are obtained.

They have ≤ 1% error for all reaction free energies and realistic reorganization energies.

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