APPLICATION OF MOLECULAR-ORBITAL GRAPH-TH EORY .3. EVALUATION OF E(PI) BY CLEAVAGE BOND METHOD

Authors
ZHAO HG YANG KH WANG CS ZHANG JC CAO Y
Citation
Hg. Zhao et al., APPLICATION OF MOLECULAR-ORBITAL GRAPH-TH EORY .3. EVALUATION OF E(PI) BY CLEAVAGE BOND METHOD, Gaodeng xuexiao huaxue xuebao, 16(2), 1995, pp. 299-301
Citations number
7
Categorie Soggetti
Chemistry
Journal title
Gaodeng xuexiao huaxue xuebao → ACNP
ISSN journal
02510790
Volume
16
Issue
2
Year of publication
1995
Pages
299 - 301
Database
ISI
SICI code
0251-0790(1995)16:2<299:AOMGE.>2.0.ZU;2-C
Abstract
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 mu(2l) and to establish the cleavage bond formula for obta ining the total pi energy. These formulae demonstrate the topological relationship between mu(2l) and E(pi) with the molecular network.