Application of molecular orbital graph theory——A cutting vertex method for evaluating E_π  

作　　者：胡式贤 王寅 赵洪刚 姜萍 何鸿斌 曹阳 

机构地区：[1]Department of Chemistry, Liaoning Normal University, Dalian 116029, China [2]Department of Physics, Liaoning Normal University, Dalian 116029, China [3]Department of Chemistry, Suzhou University, Suzhou 215006, China Just as Tang and Jiang pointed out in ref. [1], the total π-electron energy E_πof a conjugate molecule is of significance for understanding the stability and aromatic character of molecule or the reaction route. They also proposed the expanded formula for evaluating E_πby using molecular moment μ_1.

出　　处：《Chinese Science Bulletin》1996年第4期310-314,共5页

摘　　要：Just as Tang and Jiang pointed out in ref. [1], the total π-electron energy E_π of a conjugate molecule is of significance for understanding the stability and aromatic character of molecule or the reaction route. They also proposed the expanded formula for evaluating E_π by using molecular moment μ₁.

关 键 词：TOTAL π-electron energy molecular moment. 

分 类 号：O561[理学—原子与分子物理]