Three-center Harary Index and its Applications

Furtula, B.; Gutman, I.; Katanic, V.

doi:10.22052/ijmc.2016.12402

Three-center Harary Index and its Applications

Document Type : Research Paper

Authors

B. Furtula ¹

I. Gutman ²

V. Katanic ¹

¹ Faculty of Science, University of Kragujevac

² Faculty of Science, University of Kragujevac, Kragujevac, Serbia

10.22052/ijmc.2016.12402

Abstract

The Harary index H can be viewed as a molecular structure descriptor composed of increments representing interactions between pairs of atoms, such that their magnitude decreases with the increasing distance between the respective two atoms. A generalization of the Harary index, denoted by Hk, is achieved by employing the Steiner-type distance between k-tuples of atoms. We show that the linear combination H+x H3 is significantly better correlated with a variety of physico-chemical properties of alkanes than H itself.

Keywords

Harary index

Multicenter Harary index

Steiner distance

Molecular Graph

Subjects