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Golden-rule treatment of the O_2 + O_2~- electron-transfer reaction 期刊论文
Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems, 1999, 期号: 1, 页码: 177-186
作者:  Yuxiang Bu;  Dong Zhou;  Qizhi Zhou;  Conghao Deng
收藏  |  浏览/下载:8/0  |  提交时间:2020/01/14
Ab initio investigation of Decomposition of HCF?2OH 期刊论文
Chemical Research in Chinese Universities, 1999, 卷号: 15, 期号: 1
作者:  Hou Hua;  Guo Jingzhong;  Liu Chuanpu;  Gu Yueshu;  Deng Conghao
收藏  |  浏览/下载:7/0  |  提交时间:2020/01/14
Ab initio investigations of nonadiabatic electron-transfer reactivity of monohydrated transition-metal-ion redox couples M~(2+)-OH_2/M~(3+)-OH_2 (M = V, Cr, Mn and Fe) 期刊论文
Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems, 1999, 期号: 1, 页码: 145-154
作者:  Yuxiang Bu;  Qizhi Zhou;  Dong Zhou;  Conghao Deng
收藏  |  浏览/下载:7/0  |  提交时间:2020/01/14
Direct evaluation of the electron transfer integral for self-exchange reactions in solution 期刊论文
Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems, 1998, 期号: 1, 页码: 43-48
作者:  Yuxiang Bu;  Yixuan Wang;  Fuqing Xu;  Conghao Deng
收藏  |  浏览/下载:7/0  |  提交时间:2020/01/14
A hydration function scheme of electron transfer kinetics for hydrated redox couples in solution and its application in the Cr2+(aq)/Cr3+(aq) system 期刊论文
Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems, 1997, 期号: 1, 页码: 35-43
作者:  Yuxiang Bu;  Faxin He;  Yangjun Ding;  Conghao Deng
收藏  |  浏览/下载:2/0  |  提交时间:2020/01/14
Ab initio time-dependent perturbation study of tunnelling effect in the abstraction of hydrogen from methane by methyl radical 期刊论文
Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems, 1997, 期号: 1, 页码: 69-80
作者:  Yuxiang Bu;  Yangjun Ding;  Conghao Deng
收藏  |  浏览/下载:1/0  |  提交时间:2020/01/14
Theoretical study of electronic transmission coefficient of outer-sphere electron self-exchange reactions in solution: a hydration function scheme 期刊论文
Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems, 1997, 期号: 1, 页码: 197-205
作者:  Yuxiang Bu;  Yongjun Liu;  Yingsheng Cao;  Conghao Deng
收藏  |  浏览/下载:2/0  |  提交时间:2020/01/14
Nonadiabatic electron transfer rate of hydrated Fe2+/Fe3+ redox couples in solution: a novel scheme for the hydratiqn potential function 期刊论文
Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems, 1997, 期号: 1, 页码: 145-155
作者:  Daren Guan;  Yuxiang Bu;  Conghao Deng
收藏  |  浏览/下载:8/0  |  提交时间:2020/01/14
Reorganization energies of electron hetero-exchange reactions of hydrated redox pairs in solution from a hydration function model 期刊论文
Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems, 1997, 页码: 141-152
作者:  Yuxiang Bu;  Fuqing Xu;  Conghao Deng
收藏  |  浏览/下载:9/0  |  提交时间:2020/01/14
Structures and isomerization of cabenoids H_2CLiBr 期刊论文
Chinese science bulletin, 1997, 卷号: 42, 期号: 3, 页码: 207-210
作者:  QIU Huayu;  DENG Conghao
收藏  |  浏览/下载:5/0  |  提交时间:2020/01/14


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