BIRADICAL

作品数：13被引量：6H指数：2
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相关领域：理学更多>>
相关作者：王立敏储德清苏鹏更多>>
相关机构：天津工业大学更多>>
相关期刊：《Science China Chemistry》《Organic Chemistry Frontiers》《Chemical Research in Chinese Universities》《Chinese Journal of Chemistry》更多>>
相关基金：国家自然科学基金国家重点基础研究发展计划更多>>
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Theoretical Design of High-spin Organic Molecules with —~*N—S— as a Spin-containing Fragment and Heterocycle as End Groups
《Chemical Research in Chinese Universities》2006年第5期631-634,共4页WANG Li-min CHU De-qing ZHANG Jing-ping WANG Rong-shun 
Supported by the National Natural Science Foundation of Chana(Nos. 29804002, 20274006) and Tianjin Polytechnic Univer-sity Item(Nos. 029307, 029302).
Novel stable high-spin molecules possessing three different arranging fashions were designed with —^＊N—S— as a spin-containing （SC） fragment, an aromatic group, such as benzene （ 1 ）, pyridine （2）, pyridazi...
关键词：HETEROCYCLE End group BIRADICAL HIGH-SPIN AM1-CI 
Theoretical Design of High-spin Organic Molecules with Heterocycles as Ferromagnetic Coupling Units
《Chemical Research in Chinese Universities》2003年第4期508-511,共4页WANG Li-min ZHANG Jing-ping WANG Rong-shun 
Supported by the National Natural Science Foundation of China( No.2 980 4 0 0 2,2 0 2 74 0 0 6 ) ,FokYingTungEducationFoundation( No.710 13) and Foundation of Northeast Normal University( No.1114 34)
Novel stable high spin molecules possessing three different arranged fashions are designed with - · N-N< as a spin-containing(SC) fragment, phenylene as an end group and various aromatic molecules, such as benzene(1)...
关键词：HETEROCYCLE Coupling unit BIRADICAL HIGH-SPIN AM1-CI B3LYP 
A Rule to Design High Spin Molecules with Hetero spin Centers
《Chemical Research in Chinese Universities》1999年第4期337-342,共6页ZHANG Jing-ping YANG Guang-hui WANG Rong-shun WANG Li xiang 
The series of biradicals with m phenylene coupling unit and hetero spin centers were calculated compared with those possessing homo spin centers using AM1 CI method. A simple rule was proposed to design high s...
关键词：AM1 CI Hetero spin center BIRADICAL High spin molecule 
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