On atom-bond connectivity molecule structure descriptors-Reference-Cited by-同舟云学术

On atom-bond connectivity molecule structure descriptors

Published:2016 Issue:3 Volume:81 Page:271-276
ISSN:0352-5139
Container-title:Journal of the Serbian Chemical Society
language:en
Short-container-title:JSCS

Author:

Furtula Boris¹^ORCID,Gutman Ivan²,Das Kinkar³

Affiliation:

1. Faculty of Science, Kragujevac

2. Faculty of Science, Kragujevac + State University of Novi Pazar, Novi Pazar

3. Sungkyunkwan University, Department of Mathematics, Suwon, South Korea

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 ABC > ABCGG and ABC < ABCGG may occur in the case of (structurally similar) molecules. However, in the case of benzenoid hydrocarbons, ABC always exceeds ABCGG.

Funder

Ministry of Education, Science and Technological Development of the Republic of Serbia

Publisher

National Library of Serbia

Subject

General Chemistry

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