Collection of Czechoslovak Chemical Communications - digital archive 

Abstract

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.