Graph theoretical perception of molecular symmetry

It is shown that the molecular symmetry groups can be obtained as the automorphism groups of edge-weighted Euclidean graphs. Graph theory provides an elegant and natural representation of molecular symmetry. The resulting group expressed in terms of permutations is isomorphic to the permutation-inversion group of Longuet-Higgins or the permutational subgroup in case inversion operations do not generate new permutations.