Collect. Czech. Chem. Commun. 2006, 71, 1270-1277

On a New Algorithm for Computing Symmetry of Big Fullerenes

Ali Reza Ashrafi

Department of Mathematics, Faculty of Science, University of Kashan, Kashan 87317-51167, Iran


In this paper, a new algorithm is presented which is useful for computing the automorphism group of chemical graphs. We compare our algorithm with those of Druffel, Schmidt and Wang. It is proved that the running time of the present algorithm is better than the mentioned algorithms. Also, the automorphism group of Euclidean graph of isomers for the fullerenes C180, C240, C260, C320, C500 and C720 are computed.

Keywords: Fullerenes; Carbon clusters; Automorphism group of graph; Symmetry; Chemical graphs; Matrices; MATLAB.

References: 26 live references.