On atom-bond connectivity molecule structure descriptors

Boris Furtula; Ivan Gutman; Kinkar Ch Das

doi:10.2298/JSC150901093F

On atom-bond connectivity molecule structure descriptors

Boris Furtula, Ivan Gutman, Kinkar Ch Das

Department of Mathematics

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

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 ) was proposed. Hitherto, the relation between ABC and ABC_GG has not been analyzed. In this paper, the basic characteristics of this relation are established. In particular, ABC and ABC_GG are not correlated and both cases ABC > ABC_GG and ABC < ABC _GG may occur in the case of (structurally similar) molecules. However, in the case of benzenoid hydrocarbons, ABC always exceeds ABC_GG .

Original language	English
Pages (from-to)	271-276
Number of pages	6
Journal	Journal of the Serbian Chemical Society
Volume	81
Issue number	3
DOIs	https://doi.org/10.2298/JSC150901093F
State	Published - 2016

Keywords

Abc index
Atom-bond connectivity index
Molecular graph
Molecular structure

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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 ) was proposed. Hitherto, the relation between ABC and ABCGG has not been analyzed. In this paper, the basic characteristics of this relation are established. In particular, ABC and ABCGG are not correlated and both cases ABC > ABCGG and ABC < ABC GG may occur in the case of (structurally similar) molecules. However, in the case of benzenoid hydrocarbons, ABC always exceeds ABCGG .",

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AU - Gutman, Ivan

AU - Das, Kinkar Ch

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KW - Atom-bond connectivity index

KW - Molecular graph

KW - Molecular structure

UR - https://www.scopus.com/pages/publications/84971508931

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ER -

On atom-bond connectivity molecule structure descriptors

Abstract

Keywords

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