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Discontinuity, Nonlinearity, and Complexity 14(4) (2025) 659--668 | DOI:10.5890/DNC.2025.12.004

Mukhtar Ahmad$^{1}$, Yuhani Binti Yusof$^{1}$, Ather Qayyum$^{2}$, Laxmi Rathour$^{3,\dagger}$, Vinay Singh$^{3}$,\\ Lakshmi Narayan Mishra$^{4}$

$^1$ Department of Mathematics, Khawaja Fareed University of Engineering and Information Technology R.Y.K, Pakistan

$^2$ Department of Mathematics, University of Southern Punjab Multan Pakistan

$^3$ Department of Mathematics, National Institute of Technology, Chaltlang, Aizawl 796 012, Mizoram, India

$^4$ Department of Mathematics, School of Advanced Sciences, Vellore Institute of Technology, Vellore 632 014, Tamil Nadu, India

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Abstract

123 Topological indices are powerful tools in various fields of science and engineering. It also assist in assessing the environmental impact, biodegradability, and toxicity of chemical substances, supporting the creation of safer and more sustainable chemicals. It can be defined as a mapping from the molecular structure of a substance to a real number. Its purpose is to characterize the physicochemical properties of specific substances while maintaining its invariance under graph transformations. Molecular descriptors play a crucial role in mathematical chemistry, particularly in investigations involving quantitative structure-property relationships and quantitative structure-activity relationships. In the context of this study, we investigated the chemical composition of pentacene, focusing on various indices, including the general randić connectivity index, the first and second multiple zagreb indices, the first general zagreb index, the atomic bond connectivity index, the hyper-zagreb index, and the geometric-arithmetic index for propane paraline graphs of linear-pentacene, multi-pentacene and linear [n]-pentacene.

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