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
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.