Distance Matrix and Wiener Index of Polyhex Nanotubes
Али Реза Ашрафи, S. Yousefi · AIP conference proceedings · 2007
A topological index is a numeric quantity that is mathematically derived in a direct and unambiguous manner from the structural graph of a molecule. It has been found that many properties of a chemical compound are closely related to some topological indices of its molecular graph. Among topological indices, the Wiener index is probably the most important one. This index was introduced by the chemist H. Wiener (1947) about 60 years ago to demonstrate correlations between physicochemical properties of organic compounds and the topological structure of their molecular graphs. He defined his index as the sum of distances between any two carbon atoms in the molecules, in terms of carbon‐carbon bonds. The aim of this paper is to prepare some algorithms for computing distance matrix and Wiener index of zig‐zag and armchair polyhex nanotubes.