Litcius/Paper detail

Computing Topological Indices for Molecules Structure of Polyphenylene via <i>M</i>-Polynomials

Xuewu Zuo, Muhammad Numan, Saad Ihsan Butt, Muhammad Kamran Siddiqui, Rizwan Ullah, Usman Ali

2020Polycyclic aromatic compounds22 citationsDOI

Abstract

In a molecular graph, molecules are associated with some numerical values these values are known as topological indices. From the M-polynomial of molecular structure we can derive degree base topological indices. We can derived chemical and physical properties of chemical compound from the topological indices. To find the strain energy, melting point, boiling point, distortion and stability of chemical compound usually mathematician used topological indices. Moreover topological indices also make relation between biological activities of compound with physical properties. In this paper, we determined the M-polynomials of the structure of the molecules of polyphenylene. Then we derived some closed formulas for well-known topological indices, first Zagreb index M1(G), second Zagreb index M2(G), second modified Zagreb index mM2(G), general Randic index Rα(G), Symmetric division index SDD(G), Harmonic index H(G), Inverse Sum index I(G) for polyphenylene structure of molecules.

Topics & Concepts

Topological indexMolecular graphBoiling pointPolynomialMoleculeChemistryTopology (electrical circuits)GraphCombinatoricsMathematicsComputational chemistryMathematical analysisOrganic chemistryGraph theory and applicationsComputational Drug Discovery MethodsFree Radicals and Antioxidants