On Symmetry of Some Nano Structures

Document Type: Research Paper

Authors

1 Shahid Rajaee Teacher Training University, I. R. Iran

2 Imam Hossein University, I.R. Iran

3 Islamic Azad University, I. R. Iran

Abstract

It is necessary to generate the automorphism group of a chemical graph in computer-aided structure elucidation. An Euclidean graph associated with a molecule is defined by a weighted graph with adjacency matrix M = [dij], where for i≠j, dij is the Euclidean distance between the nuclei i and j. In this matrix dii can be taken as zero if all the nuclei are equivalent. Otherwise, one may introduce different weights for distinct nuclei. A.T. Balaban introduced some monster graphs and then M. Randic computed complexity indices of them (see A.T. Balaban, Rev. Roum. Chim. 18(1973) 841-853 and M. Randic, Croat. Chem. Acta 74(3)(2001) 683- 705). In this paper, we describe a simple method, by means of which it is possible to calculate the automorphism group of weighted graphs.

Keywords