Theoretical study of the inner-sphere en
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Dongju Zhang; Yuxiang Bu; Chengbu Liu
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Article
📅
1999
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John Wiley and Sons
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English
⚖ 101 KB
👁 2 views
Two theoretical models, a reorganization model and an activation model, are presented for accurately determining the energy barrier of the type Ž . 2qr3q M H O of the transition-metal complexes in the electron-transfer process. Ab initio 2 6 Ž . 2qr3q calculations are carried out at UMP2r6-311G leve