Density functional theory (DFT) is used to theoretically investigate the electron-transfer (ET) reactions between M (Li, Na, Mg)-C 6 H 6 and M + -C 6 H 6 complexes in the gas phase. The geometry optimization of the metal-benzene complexes and the encounter state in the process of ET reaction was per
Theoretical study of inner-sphere reorganization energy of the electron transfer reactions between M–C6H6 and M+–C6H6 complexes in the gas phase: an ab initio computation
✍ Scribed by Zhou Zhengyu; Xu Jian; Zhang Chuansong; Zhou Xingming; Du Dongmei; Zhang Kezhong
- Book ID
- 114143396
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 89 KB
- Volume
- 469
- Category
- Article
- ISSN
- 0166-1280
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