General \((\alpha,2)\) Path Sum Connectivity Index of Nanostructures

M. Awais\(^{1,2}\), Zulfiqar Ahmed\(^{1}\), Waseem Khalid\(^{1}\)

\(^{1}\)School of Engineering and Applied Sciences, Department of Computer Science, GIFT University, Gujranwala, Pakistan
\(^{2}\)School of Mathematics and Statistics, Southwest University, Chongqing, China

Abstract

The general path sum connectivity index of a molecular graph, denoted as \(^{t}\chi_{\alpha}(G)\), is defined for a graph \(G\), where \(\alpha\) is a positive real number and \(t\) is a positive integer. This index is expressed as:
\[
^{t}\chi_{\alpha}(G) = \sum_{p^{t} = v_{j_{1}}v_{j_{2}}\dots v_{j_{t+1}} \subseteq G} \left[ d_{G}(v_{j_{1}}) + d_{G}(v_{j_{2}}) + \dots + d_{G}(v_{j_{t+1}}) \right]^{\alpha},
\]
where \(p^t\) represents a path of length \(t\) within the graph. In this work, we compute the general path sum connectivity index for various nanostructures, including phenylene, naphthalene, anthracene, and tetracene nanotubes. This index is particularly useful in investigating the physico-chemical properties of chemical compounds and plays a crucial role in the analysis of three-dimensional quantitative structure-activity relationships (3D-QSAR) and molecular chirality.

Copyright © 2024  M. Awais, Zulfiqar Ahmed, Waseem Khalid. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.