On atom-bond connectivity index

Kinkar Ch Das; Ivan Gutman; Boris Furtula

doi:10.1016/j.cplett.2011.06.049

On atom-bond connectivity index

Kinkar Ch Das
, Ivan Gutman
, Boris Furtula

Department of Mathematics

University of Kragujevac

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

134 Scopus citations

Abstract

The atom-bond connectivity index (ABC) is a molecular structure descriptor that recently found a remarkable application in rationalizing the stability of linear and branched alkanes as well as the strain energy of cycloalkanes. Let G be a molecular graph, d_i the degree of its vertex i, and ij the edge connecting the vertices i and j. Then ABC=∑_ij(^di+ ^di-2)/(^didj). Several properties of ABC are established. In particular, if a new edge is inserted into G, then ABC necessarily increases. By means of this result we characterize the graphs extremal w.r.t. ABC.

Original language	English
Pages (from-to)	452-454
Number of pages	3
Journal	Chemical Physics Letters
Volume	511
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2011.06.049
State	Published - 5 Aug 2011

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title = "On atom-bond connectivity index",

abstract = "The atom-bond connectivity index (ABC) is a molecular structure descriptor that recently found a remarkable application in rationalizing the stability of linear and branched alkanes as well as the strain energy of cycloalkanes. Let G be a molecular graph, di the degree of its vertex i, and ij the edge connecting the vertices i and j. Then ABC=∑ij(di+ di-2)/(didj). Several properties of ABC are established. In particular, if a new edge is inserted into G, then ABC necessarily increases. By means of this result we characterize the graphs extremal w.r.t. ABC.",

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AU - Furtula, Boris

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On atom-bond connectivity index

Abstract

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