Theoretical study on electron transfer in biological systems (III) - Intramolecular electron transfer in metal-containing spiro pi-electron system
文献类型：期刊论文
| 作者 | Zhai, YF; Jiang, HL ; Zhu, WL; Gu, JD; Chen, JZ; Chen, KX; Ji, RY
|
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 1999-02 |
| 卷号 | 42期号:1页码:77-82 |
| 关键词 | electron transfer electric field AMI method electron transfer matrix elements |
| ISSN号 | 1006-9291 |
| DOI | 10.1007/BF02883040 |
| 文献子类 | Article |
| 英文摘要 | Intramolecular electron transfer of metal-containing spiro pi-electron system was studied by AM1 method in the MOPAC-ET program developed by the present group. The results indicated that with the increasing of the outer electric field F, the activation energy of the reaction decreased. When F reaches a certain threshold value, the activation energy barrier becomes zero and the rate of reaction achieves the largest value. The results also indicated that electron transfer matrix elements V-AB and reorganization energy lambda were not obviously affected by outer electric field while the exothermicity Delta E was directly proportional to it. |
| WOS关键词 | CHEMISTRY ; PROTEINS ; PHASE |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000078667800011 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/274759]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Zhai, YF |
| 作者单位 | Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai 200031, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhai, YF,Jiang, HL,Zhu, WL,et al. Theoretical study on electron transfer in biological systems (III) - Intramolecular electron transfer in metal-containing spiro pi-electron system[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,1999,42(1):77-82. |
| APA | Zhai, YF.,Jiang, HL.,Zhu, WL.,Gu, JD.,Chen, JZ.,...&Ji, RY.(1999).Theoretical study on electron transfer in biological systems (III) - Intramolecular electron transfer in metal-containing spiro pi-electron system.SCIENCE IN CHINA SERIES B-CHEMISTRY,42(1),77-82. |
| MLA | Zhai, YF,et al."Theoretical study on electron transfer in biological systems (III) - Intramolecular electron transfer in metal-containing spiro pi-electron system".SCIENCE IN CHINA SERIES B-CHEMISTRY 42.1(1999):77-82. |
入库方式： OAI收割
来源：上海药物研究所
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