A rule to design high spin molecules with hetero-spin centers
文献类型：期刊论文
| 作者 | Zhang JP ; Yang GH ; Wang RS ; Wang LX |
| 刊名 | chemical research in chinese universities
 |
| 出版日期 | 1999 |
| 卷号 | 15期号:4页码:337-342 |
| 关键词 | GROUND-STATE NITRONYL-NITROXIDE TRIPLET DIRADICALS POLYRADICALS BIRADICALS |
| ISSN号 | 1005-9040 |
| 中文摘要 | the series of biradicals with m-phenylene coupling unit and hetero-spin centers were calculated compared with those possessing home-spin centers using am1-ci method. a simple rule was proposed to design high spin molecules with ferromagnetic coupling unit and hetero-spin centers. two neutral (or charged) hetero-spin centers resulted in high spin ground state, one neutral and another charged hetero-spin centers correspond to low spin ground state. the latter was ascribed to the huge splitting of two partially occupied molecular orbitals. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000084039400008 |
| 公开日期 | 2010-11-04 |
| 源URL | [http://202.98.16.49/handle/322003/21511]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhang JP,Yang GH,Wang RS,et al. A rule to design high spin molecules with hetero-spin centers[J]. chemical research in chinese universities,1999,15(4):337-342. |
| APA | Zhang JP,Yang GH,Wang RS,&Wang LX.(1999).A rule to design high spin molecules with hetero-spin centers.chemical research in chinese universities,15(4),337-342. |
| MLA | Zhang JP,et al."A rule to design high spin molecules with hetero-spin centers".chemical research in chinese universities 15.4(1999):337-342. |
入库方式： OAI收割
来源：长春应用化学研究所
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