Study on iododiamine-Pt complexes by DFT and DV-X alpha
文献类型：期刊论文
| 作者 | Xia, Q; Tang, ZX; He, SY; Wang, YB; Wen, ZY |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 2002-06-01 |
| 卷号 | 60页码:1045-1051 |
| 关键词 | DFT DV-X alpha iododiamine-Pt complexes |
| ISSN号 | 0567-7351 |
| 英文摘要 | The complexes trans, cis-[Pt (OAc)(2)I-2 (en)] (A), trans, cis-[Pt(OH)(2)I-2(en)] (B) and their respective photoproducts [Pt(OAc)(2) (OH) I(en)] (C) and [Pt(OH)(3)I (en)] (D) were studied by DFT and DV-Xalpha. The properties including the energies of molecular orbitals, the spectroscopy properties, the constitutions of some frontier molecular orbitals and the net atomic charges were discussed. It shows that difference of axial ligands may play an important role. |
| WOS关键词 | VISIBLE-LIGHT ; CISPLATIN |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000176421400017 |
| 出版者 | SCIENCE CHINA PRESS |
| 源URL | [http://119.78.100.186/handle/113462/38228]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Xia, Q |
| 作者单位 | 1.NW Univ Xian, Dept Chem, Xian 710069, Peoples R China 2.NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xia, Q,Tang, ZX,He, SY,et al. Study on iododiamine-Pt complexes by DFT and DV-X alpha[J]. ACTA CHIMICA SINICA,2002,60:1045-1051. |
| APA | Xia, Q,Tang, ZX,He, SY,Wang, YB,&Wen, ZY.(2002).Study on iododiamine-Pt complexes by DFT and DV-X alpha.ACTA CHIMICA SINICA,60,1045-1051. |
| MLA | Xia, Q,et al."Study on iododiamine-Pt complexes by DFT and DV-X alpha".ACTA CHIMICA SINICA 60(2002):1045-1051. |
入库方式： OAI收割
来源：近代物理研究所
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