Generalization of topological indices

被引:93
作者
Estrada, E [1 ]
机构
[1] Univ Santiago de Compostela, Dept Organ Chem, Fac Pharm, Santiago De Compostela 15706, Spain
关键词
D O I
10.1016/S0009-2614(01)00127-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A generalized (molecular) graph-theoretical matrix is introduced in such a way that the adjacency and distance matrices of(molecular) graphs are particular cases of it. By using this matrix, two new molecular graph-theoretical vectors and a vector-matrix-vector multiplication procedure, a generalized invariant is introduced. This invariant permits a generalization of some of the classical topological indices (TIs). Thus, Wiener Winder, Zagreb M-1 and M-2 indices, Balaban J index, Harary H number, Randic chi index and valence connectivity index chi (v) resulted as particular cases of an infinite set of molecular descriptors that can be derived from the same invariant. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:248 / 252
页数:5
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