M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules

Abstract

Topological indices are numerical parameters used to study the physical and chemical properties of compounds. In quantitative structure–activity relationship QSARs, topological indices correlate the biological activity of compounds with their physical properties like boiling point, stability, melting point, distortion, and strain energy etc. In this paper, we determined the M-polynomials of the crystallographic structure of the molecules Cu2O and TiF2 [p,q,r]. Then we derived closed formulas for some well-known topological indices using calculus. In the end, we used Maple 15 to plot surfaces associated with the topological indices of Cu2O and TiF2 [p,q,r].

Some Reverse Degree-Based Topological Indices and Polynomials of Dendrimers

“…Zagreb indices help us in finding Π electronic energy [42]. Many papers [43][44][45][46][47][48], surveys [42,49] and many modification of Zagreb indices are presented in the literature [20,[50][51][52][53][54]. First and second Zagreb polynomials were defined in [26] as:…”

Hosoya and Harary Polynomials ofTOX(n),RTOX(n),TSLChen1, Mehboob2, Ahmad3 et al. 2019Discrete Dynamics in Nature and SocietySelf Cite

“…It plays an important role in the so-called inverse structureproperty relationship problems [13]. For more details about this topological polynomial and index, please see the paper series and the references therein [14][15][16][17][18][19][20][21][22]. Note that the first derivative of the Hosoya polynomial at = 1 is equal to the Wiener index:…”

The Entropy of Weighted Graphs with Atomic Bond Connectivity Edge Weights

“…The fourth member of the ABC index category was proposed by M. Ghorbani et al in [9]. In recent years, many papers are written on topological indices and its application; here we mention few [10][11][12][13][14][15]. Based on the groundbreaking work of Shannon [16], in the late 1950s began to study the entropy measurement of network systems.…”