Hg. Zhao et al., APPLICATIONS OF THE MOLECULAR-ORBITAL GRAPH-THEORY - A TOPOLOGICAL METHOD TO CALCULATE ALPHA(N-K) BASED ON ALPHA(N), International journal of quantum chemistry, 49(2), 1994, pp. 81-86
A formula of the coefficient alpha(N-K) of the eigenpolynomials connec
ted with the zero-order term's coefficient of the eigenpolynomials cor
responding the k-order-induced subgraph's molecular fragments has been
induced. From this formula, alpha(N-K) can be calculated and the cont
ributions of the induced subgraph's molecular fragments to the stabili
ty and reactivity of the molecules are revealed. (C) 1994 John Wiley a
nd Sons, Inc.