Multicenter Wiener indices and their applications
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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 + lWk provides an approximation for the boiling points of alkanes better than W itself. The best such approximation is obtained for k = 7.
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[1]
I. GUTMAN, B. FURTULA, and X. LI, “Multicenter Wiener indices and their applications”, J. Serb. Chem. Soc., vol. 80, no. 8, pp. 1009–1017, Sep. 2015.
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Theoretical Chemistry
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