On atom-bond connectivity molecule structure descriptors

Boris Furtula; Ivan Gutman; Kinkar Ch Das

doi:10.2298/JSC150901093F

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Published: Apr 10, 2016

DOI: https://doi.org/10.2298/JSC150901093F

Keywords:

atom-bond connectivity index ABC index molecular structure descriptor molecular graph

Boris Furtula

Faculty of Science, University of Kragujevac, P. O. Box 60, 34000 Kragujevac

http://orcid.org/0000-0002-5056-6892

Ivan Gutman

Faculty of Science, University of Kragujevac, P. O. Box 60, 34000 Kragujevac and State University of Novi Pazar, Novi Pazar

Kinkar Ch Das

Department of Mathematics, Sungkyunkwan University, Suwon 440-746

Abstract

The atom-bond connectivity index (ABC) is a degree-based molecular structure descriptor with well-documented chemical applications. In 2010 a distance-based new variant of this index (ABC_GG) has been proposed. Until now, the relation between ABC and ABC_GG has not been analyzed. In this paper, we establish the basic characteristics of this relation. In particular, ABC and ABC_GG are not correlated and both cases and may occur in the case of (structurally similar) molecules. However, in the case of benzenoid hydrocarbons, ABC always exceeds ABC_GG.

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How to Cite

[1]

B. Furtula, I. Gutman, and K. C. Das, “On atom-bond connectivity molecule structure descriptors”, J. Serb. Chem. Soc., vol. 81, no. 3, pp. 271–276, Apr. 2016.

Issue

Vol. 81 No. 3 (2016)

Section

Theoretical Chemistry

Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution license 4.0 that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.

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