摘要
分子轨道图形理论的应用（Ⅲ）──估算Ｅ_π的断键法赵洪刚，杨开海，王长生，张继才，曹阳（辽宁师范大学化学系，大连，１１６０２２）（苏州大学化学系，苏州）关键词π电子总能量，矩，分子拓扑在分子轨道图形理论中，对一般的应用，π电子总能量Ｅπ的近似表达式就?..
On the basis of molecular orbital graph theory,the basic formulae for graph algebra are proposed in this paper,which are used to evaluated the moment μ2l and to establish the cleavage bond formula for obtaining the total π energy.These formulae demonstrate the topological relationship between μ(2l) and Eπ with the molecular network.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1995年第2期299-301,共3页
Chemical Journal of Chinese Universities
