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- W2353041736 abstract "We studied the self-exchange electron transfer reaction between 2,3-dichloro-5,6-dicyano-1,4-benzoquinone and its radical anion,on the basis of the non-equilibrium solvation theory in virtue of a constrained equilibrium state.Two different conformations of the parallel donor-acceptor complexes were considered.Using the new non-equilibrium solvation model combined with the linear reaction coordinate,we calculated the solvent reorganization energy in different solvents.The electronic coupling are obtained through the two-state model.The self-exchange electron transfer reaction rate constants in different solvents were calcu-lated and the results correlate well with the experimental values." @default.
- W2353041736 created "2016-06-24" @default.
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- W2353041736 date "2008-01-01" @default.
- W2353041736 modified "2023-09-25" @default.
- W2353041736 title "Theoretical Studies on Self-exchange Electron Transfer Between 2,3-Dicyano-5,6-dichloro-p-benzoquinone and Its Radical Anion" @default.
- W2353041736 hasPublicationYear "2008" @default.
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