| 异自旋中心有机铁磁体分子设计 |
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| 引用本文： | 崔岚,赵鹏程.异自旋中心有机铁磁体分子设计[J].东北师大学报(自然科学版),1999(1):49-51. |
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| 作者姓名： | 崔岚 赵鹏程 |
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| 作者单位： | 东北师范大学化学系 |
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| 摘 要： | 采用量子化学从头算ＵＨＦ方法对系列异自旋三自由基体系的基态自旋耦合规律进行研究，并对组成不同的异自旋（ｈｉｅｔｅｒｏ ｓｐｉｎ）三自由基进行了系统的比较，为新型有机磁性材料的实验合成提供了理论依据。
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| 关 键 词： | 异自旋 有机磁性体 量子化学 从头算 分子设计 |
Design of Organic Ferromagnets with Hetero Spin Centers |
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| Cui Lan,Zhao Pengcheng,Fu Qiang.Design of Organic Ferromagnets with Hetero Spin Centers[J].Journal of Northeast Normal University (Natural Science Edition),1999(1):49-51. |
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| Authors: | Cui Lan Zhao Pengcheng Fu Qiang |
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| Abstract: | Spin-coupling rules of ground state have been studied for a series of organic triradicals with hetero spin centers using quantum-chemical ab initio UHF methods and different triradicals have been compared systematically. These work provide theoretical guide for experimental synthesis of novel organic magnetic materials. |
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| Keywords: | hetero spin organic ferromagnets ab initio UHF method |
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