| Theoretical Design of High-spin Organic Molecules with —^＊N—S— as a Spin-containing Fragment and Heterocycle as End Groups |
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| 作者姓名： | WANG Li-min CHU De-qing ZHANG Jing-ping WANG Rong-shun |
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| 作者单位： | WANG Li-min 1**，CHU De-qing 1，ZHANG Jing-ping 2 and WANG Rong-shun 21. Faculty of Material and Chemical Engineering，Tianjin Polytechnic University，Tianjin 300160，P. R. China;2. Faculty of Chemistry，Northeast Normal University，Changchun 130024，P. R. China |
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| 基金项目： | Supported by the National Natural Science Foundation of Chana（ Nos. 29804002, 20274006） and Tianjin Polytechnic University Item（Nos. 029307, 029302）. |
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| 摘 要： | IntroductionDesigns and syntheses of organic molecules withvery high-spin ground states have been a topic of greatinterest1—8].One of the rational approaches to desig-ning high-spin molecules,which has been proposedand studied by several groups9,10],in…
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| 关 键 词： | 杂环化合物 端基 二价自由基 高旋转 AM1-CI |
| 文章编号： | 1005-9040（2006）-05-631-434 |
| 收稿时间： | 2005-12-23 |
Theoretical Design of High-spin Organic Molecules with ˙ NS as a Spin-containing Fragment and Heterocycle as End Groups |
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| WANG Li-min CHU De-qing ZHANG Jing-ping WANG Rong-shun.Theoretical Design of High-spin Organic Molecules with ˙ NS as a Spin-containing Fragment and Heterocycle as End Groups[J].Chemical Research in Chinese University,2006,22(5):631-634. |
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| Authors: | Li-min WANG De-qing CHU Jing-ping ZHANG Rong-shun WANG |
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| Institution: | aFaculty of Material and Chemical Engineering, Tianjin Polytechnic University, Tianjin 300160, P. R. China;bFaculty of Chemistry, Northeast Normal University, Changchun 130024, P. R. China |
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| Abstract: | |
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| Keywords: | Heterocycle End group Biradical High-spin AM1-CI |
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