New computer program to calculate the symmetry of molecules

Abstract

In this paper we present some MATLAB and GAP programs and use them to find the automorphism group of the Euclidean graph of the C80 fullerene with connectivity and geometry of Ih symmetry point group. It is proved that this group has order 120 and is isomorphic to Ih ≅ Z2 × A5, where Z2 is a cyclic group of order 2 and A5 is the alternating group on five symbols. © Central European Science Journals. All rights reserved.