TOPOLOGICAL CHEMICAL DISTANCES AND GRAPH CENTERS IN MOLECULAR GRAPHS WITH MULTIPLE BONDS

A set of priority rules is defined for obtaining the graph center in m ultigraphs, i.e. in molecular graphs with multiple bonds. In order to obtain closer agreement between experimental bond distances in molecul es and the relative magnitudes of entries in the distance matrix, a ne w type of distance is defined, called the ''chemical distance'': CD = b-1/4, where b is the conventional bond multiplicity.