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)
刊 名: 中国科学B辑(英文版) EI SCI 英文刊名: SCIENCE IN CHINA(SERIES B) 年,卷(期): 2000 43(1) 分类号: O6 关键词: molecular moment π-bond grade reactivity molecular topology