Abstract

A topological index of graph G is a numerical parameter related to G, which characterizes its topology and is preserved under isomorphism of graphs. Properties of the chemical compounds and topological indices are correlated. In this report, we compute closed forms of first Zagreb, second Zagreb, and forgotten polynomials of generalized prism and toroidal polyhex networks. We also compute hyper-Zagreb index, first multiple Zagreb index, second multiple Zagreb index, and forgotten index of these networks. Moreover we gave graphical representation of our results, showing the technical dependence of each topological index and polynomial on the involved structural parameters.

Highlights

  • Chemical reaction network theory is an area of applied mathematics that attempts to model the behavior of real world chemical systems

  • The branch of chemistry which deals with the chemical structures with the help of mathematical tools is called mathematical chemistry

  • Chemical graph theory is the branch of mathematical chemistry that applies graph theory to mathematical modeling of chemical phenomena

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Summary

Introduction

Chemical reaction network theory is an area of applied mathematics that attempts to model the behavior of real world chemical systems. A topological index is designed by transforming a chemical structure into a number These topological indices associate certain physico–chemical properties like boiling point, stability, strain energy, etc. Authors computed M-polynomials and related topological indices for Nanostar dendrimers [13], titania nanotubes [14], circulant graphs [15], polyhex nanotubes [16], and generalized prism and toroidal polyhex networks [17]. Nanostar dendrimers are macromolecules built in a tree-like structure These materials have many applications in electronics, chemical processing, optics, and energy management and are used in flat panel display screens, hydrogen storage, robotics and artificial muscles, chemical sensors, and photography. Our results will help to determine physico–chemical properties like the heat of formation, strain energy, strength and fracture toughness of these materials

Computational Aspects of Generalized Prism
Figure
Computational Aspects of Toroidal Polyhex
The polyhex optical and vibrational properties of toroidal canisbe
Conclusions and Discussion
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