Citation: Jian XU, Zheng Yu ZHOU, Ke Zhong ZHANG. Nonequilibrium Solvent Free Energy Curve from Molecular Theory in Electron Transfer Reaction[J]. Chinese Chemical Letters, ;1997, 8(5): 439-442. shu

Nonequilibrium Solvent Free Energy Curve from Molecular Theory in Electron Transfer Reaction

a Department of Chemistry, Qufu Normal University, Qufu 273165;
b Linyi Education College, Linyi 276000

Received Date: 20 December 1996

Fund Project: This work is supported by the Natural Science Foundation of Shandong Province and the National Natural Science Foundation of China.

The microscopic molecular theory for electron transfer in a model solvent is further developed.The nonlinear response of the solvent molecules is be computed quantitatively in a new way.Adopting computer simulation data and choosing appropriate reaction coordinate,a reasonable free energy diagram is constructed and the reorganization energy for the product state is calculated.
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