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

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.

Keywords

• molecular graph
• degree-based index
• edge dividing approach
• 05c15
• 05c07
• 05c35