화학공학소재연구정보센터
Chemical Physics Letters, Vol.336, No.3-4, 248-252, 2001
Generalization of topological indices
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.