Applications of the molecular orbita

Applications of the molecular orbital graph theory (XI)--The molecular moments method of evaluating π-bond grade and jud

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.

作 者： HU Shixian LIU Xiaoping ZHAO Honggang CAO Yang   作者單位： 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) 

刊 名： 中國科學B輯（英文版）  EI SCI 英文刊名： SCIENCE IN CHINA(SERIES B)  年，卷(期)： 2000 43(1)  分類號： O6  關(guān)鍵詞： molecular moment   π-bond grade   reactivity   molecular topology  

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