Journal of the Serbian Chemical Society 2015 Volume 80, Issue 8, Pages: 1009-1017
https://doi.org/10.2298/JSC150126015G
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Multicenter Wiener indices and their applications
Gutman Ivan 
(Faculty of Science, Kragujevac + State University of Novi Pazar, Novi Pazar)
Furtula Boris (Faculty of Science, Kragujevac)
Li Xueliang (Nankai University, Center for Combinatorics, Tianjin, China)
The Wiener index W can 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 kW, k=3,4,.... In the
quantity Wk, interactions between k-tuples of atoms play role, based on the
concept of 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.
Keywords: Wiener index, multicenter Wiener index, Steiner distance, Steiner-Wiener index, molecular graph