Eur. Phys. J. Plus (2020) 135: 874
https://doi.org/10.1140/epjp/s13360-020-00893-9

Regular Article

On M-polynomial-based topological descriptors of chemical crystal structures and their applications

¹ Department of Mathematics, Huzhou University, Huzhou, 313000, People’s Republic of China
² Hunan Provincial Key Laboratory of Mathematical Modeling and Analysis in Engineering, Changsha University of Science and Technology, Changsha, 410114, People’s Republic of China
³ Department of Mathematical Sciences, United Arab Emirates University, P. O. Box 15551, Al Ain, United Arab Emirates
⁴ Department of Mathematics and Statistics, Institute of Southern Punjab, Multan, Pakistan
⁵ School of Natural Sciences, National University of Sciences and Technology, Islamabad, 44000, Pakistan
⁶ Department of Mathematics, COMSATS University Islamabad, Lahore Campus, Islamabad, Pakistan

^* e-mail: kamransiddiqui75@gmail.com

Received: 16 October 2020
Accepted: 27 October 2020
Published online: 1 November 2020

Abstract

A graph in which atoms are taken as vertices and bonds among atoms can be presented by edges is recognized as a molecular graph. For such molecular graphs, we can investigate the topological descriptors and topological polynomials providing their bioactivity as well as their physio-chemical characteristics. These topological descriptors are the numerical quantities of the molecular graph that discuss its topology and are usually graph invariants. Let where be the cardinality of edges in such that . M-polynomial for can be computed by the relation More preciously in this article, various molecular topological structure invariants of vital significance, known as first, second, modified and augmented Zagreb indices, inverse and general Randić indices, symmetric division, harmonic, inverse sum index and forgotten indices of chemical structures namely crystal cubic carbon and carbon graphite structure are figured out and recovered applying general technique of topological polynomials.