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- W2379486549 abstract "An ab initio computation of the Franck Condon(FC)factor for the electron transfer(ET) reactions between metal benzene and metal ion benzene complexes is presented.The vibrational frequencies of the metal benzene complexes are calculated.The FC factors computed by using ab initio method are agree with the classical and semiclassical results,in case of the vibrational frequency lower than the heat energy kT,and the change of the bond length is less from the reactant to the product.The ET reaction is in the gas phase,the influence of outersphere on the ET reaction can be neglected.The ET reaction described by using quantum mechanic is more suitable." @default.
- W2379486549 created "2016-06-24" @default.
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- W2379486549 date "2000-01-01" @default.
- W2379486549 modified "2023-09-25" @default.
- W2379486549 title "Quantum effect of electron transfer reaction for metal-benzene interaction system in the gas phase:an ab initio computation" @default.
- W2379486549 hasPublicationYear "2000" @default.
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