Multicenter wiener indices and their applications

Abstract

The Wiener index W could be viewed as a molecular structure descriptor composed of increments representing interactions between pairs of atoms. A generalization of the W are the Steiner-Wiener indices Wk, k = 3, 4,⋯ In the quantity Wk, interactions between k-tuples of atoms play a role, based on the concept of the Steiner distance. It is shown that the term W + λWk provides an approximation for the boiling points of alkanes better than W itself. The best such approximation is obtained for k = 7.