New computer program to calculate the symmetry of molecules

摘要

In this paper we present some MATLAB and GAP programs and use them to find the automorphism group of the Euclidean graph of the C_(80) fullerene with connectivity and geometry of Ih symmetry point group.It is proved that this group has order 120 and is isomorphic to I_h approx equal to Z_2×A_5,where Z_2 is a cyclic group of order 2 and A_5 is the alternating group on five symbols.