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Applied Mathematics and Nonlinear Sciences

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Available online: January 01, 2016

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

Wei Gao, Mohammad Reza Farahani
Volume 1 - Issue 1.     Year 2016.     Pages 99–122.

DOI: 10.21042/AMNS.2016.1.00009


In 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.

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Applied Mathematics, Nonlinear Sciences


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