On atom-bond connectivity molecule structure descriptors

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Boris Furtula
http://orcid.org/0000-0002-5056-6892
Ivan Gutman
Kinkar Ch Das

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 (ABCGG) has been proposed. Until now, the relation between ABC and ABCGG has not been analyzed. In this paper, we establish the basic characteristics of this relation. In particular, ABC and ABCGG 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 ABCGG .

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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.
Section
Theoretical Chemistry