<abstract xmlns="http://www.w3.org/1999/xhtml"><p>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.</p></abstract>

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.

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

Iran University of Science and Technology

Applied Mathematics and Nonlinear Sciences

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

In computational chemistry, the molecular structures are modelled as graphs which are called the molecular graphs. In these graphs, each vertex represents an...

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

Publié en ligne: 01 janv. 2016

Pages: 99 - 122

Reçu: 11 nov. 2015

Accepté: 29 déc. 2015

DOI: https://doi.org/10.21042/AMNS.2016.1.00009

© 2016 Wei Gao, Mohammad Reza Farahani, published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.