Multicenter Wiener indices and their applications

Journal of the Serbian Chemical Society

卷:80

Gutman Ivan¹  Furtula Boris²  Li Xueliang³ 

[1]Faculty of Science, Kragujevac + State University of Novi Pazar, Novi Pazar

[2]|Faculty of Science, Kragujevac

[3]|Nankai University, Center for Combinatorics, Tianjin, China

关键词: Wiener index;    multicenter Wiener index;    Steiner distance;    Steiner-Wiener index;    molecular graph;   

DOI  :  10.2298/JSC150126015G

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown