Applications of the molecular orbital graph theory (XI)——The molecular moment's method of evaluating π-bond grade and judging relative reactivity of even AH |
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引用本文: | 胡式贤,刘晓平,赵洪刚,曹阳.Applications of the molecular orbital graph theory (XI)——The molecular moment's method of evaluating π-bond grade and judging relative reactivity of even AH[J].中国科学B辑(英文版),2000,43(1). |
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作者姓名: | 胡式贤 刘晓平 赵洪刚 曹阳 |
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作者单位: | HU Shixian,LIU Xiaoping,ZHAO Honggang(Department of Chemistry, Liaoning Normal University, Dalian 116029, China);CAO Yang(Department of Chemistry,Suzhou University,Suzhou 215006, China)
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摘 要: | The tree graph method of evaluating the local molecular moment is proposed. By applying this method and the molecular moment formula of π-electron energy in the molecular orbital graph theory, a topological method of using the molecular moment to judge the relatively reactive point of even AH is achieved.
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关 键 词: | molecular moment π-bond grade reactivity molecular topology. |
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