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Degree-based indices computation for special chemical molecular structures using edge dividing method

Degree-based indices computation for special chemical molecular structures using edge dividing... AbstractIn computational chemistry, the molecular structures are modelled as graphs which are called the molecular graphs. In these graphs, each vertex represents an atom and each edge denotes covalent bound between atoms. It is shown that the topological indices defined on the molecular graphs can reflect the chemical characteristics of chemical compounds and drugs. In this paper, we report several degree based indices of some widely used chemical molecular structures by means of edge dividing technology. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Applied Mathematics and Nonlinear Sciences de Gruyter

Degree-based indices computation for special chemical molecular structures using edge dividing method

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Publisher
de Gruyter
Copyright
© 2016 Wei Gao, Mohammad Reza Farahani, published by Sciendo
eISSN
2444-8656
DOI
10.21042/AMNS.2016.1.00009
Publisher site
See Article on Publisher Site

Abstract

AbstractIn computational chemistry, the molecular structures are modelled as graphs which are called the molecular graphs. In these graphs, each vertex represents an atom and each edge denotes covalent bound between atoms. It is shown that the topological indices defined on the molecular graphs can reflect the chemical characteristics of chemical compounds and drugs. In this paper, we report several degree based indices of some widely used chemical molecular structures by means of edge dividing technology.

Journal

Applied Mathematics and Nonlinear Sciences – de Gruyter

Published: Jan 1, 2016

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