【摘 要】
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An ab initio computation of reorganization energy for the electron transfer reactions between metal atom-benzene and ion-benzene complexes is presented by using
【出 处】
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Chinese Chemical Letters
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An ab initio computation of reorganization energy for the electron transfer reactions between metal atom-benzene and ion-benzene complexes is presented by using of both the GeorgeGriffith-Marcus (GGM) method and Hessian matrix method. The results suggest that the coupling interactions between different vibrational modes are very important to caclculation the inner sphere reorganization energy for electron transfer reactions in gaseous phase.
An ab initio computation of reorganization energy for the electron transfer reactions between metal atom-benzene and ion-benzene complexes is presented by using both of the George Griffith-Marcus (GGM) method and Hessian matrix method. The results suggest that the coupling interactions between different vibrational modes are very important to caclculation the inner sphere reorganization energy for electron transfer reactions in gaseous phase.
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