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Applications of the molecular orbita

时间:2021-12-09 16:42:41 数理化学论文 我要投稿

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