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ORIGINAL RESEARCH article

Front. Chem.
Sec. Theoretical and Computational Chemistry
Volume 12 - 2024 | doi: 10.3389/fchem.2024.1517892

Expected value of topological descriptors for possible kink chains of type 2 ⊤ 2

Provisionally accepted
Ruxian Chen Ruxian Chen 1*Asima Razzaque Asima Razzaque 2*Maham Khalil Maham Khalil 3*Salma Kanwal Salma Kanwal 3*Saima Noor Saima Noor 2Robina Nazir Robina Nazir 2*
  • 1 Guangzhou University, Guangzhou, Guangdong Province, China
  • 2 King Faisal University, Al-Ahsa, Eastern Province, Saudi Arabia
  • 3 Lahore College for Women University, Lahore, Punjab, Pakistan

The final, formatted version of the article will be published soon.

    In this paper, we investigate square-hexagonal chains, a class of systems where the inner dual of a structure with a square-hexagon shape forms a path graph. The specific configuration of square and hexagonal polygons, and how they are concatenated, leads to different types of square-hexagonal chains. A square containing a vertex of degree 2 is classified as having a kink, and the resulting kink is referred to as a type 2⊤ kink. This kink is further subdivided into three types: 2⊤1, 2⊤2, and 2⊤3.We focus on the kink chain of type 2⊤2 and compute various topological descriptors for this configuration. By deriving analytical expressions, we determine the maximizing and minimizing values of these descriptors. Additionally, we provide a comprehensive analysis of the expected values for these descriptors and offer a comparison of their behaviors through analytical, numerical, and graphical methods. These results offer insights into the structural properties and behavior of square-hexagonal chains, particularly in relation to the optimization of topological descriptors.

    Keywords: Random square-hexagonal kink chains, Topological descriptors, expected values, Randic index, Zagreb indices

    Received: 27 Oct 2024; Accepted: 16 Dec 2024.

    Copyright: © 2024 Chen, Razzaque, Khalil, Kanwal, Noor and Nazir. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

    * Correspondence:
    Ruxian Chen, Guangzhou University, Guangzhou, 510006, Guangdong Province, China
    Asima Razzaque, King Faisal University, Al-Ahsa, 31982, Eastern Province, Saudi Arabia
    Maham Khalil, Lahore College for Women University, Lahore, 46000, Punjab, Pakistan
    Salma Kanwal, Lahore College for Women University, Lahore, 46000, Punjab, Pakistan
    Robina Nazir, King Faisal University, Al-Ahsa, 31982, Eastern Province, Saudi Arabia

    Disclaimer: All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. Any product that may be evaluated in this article or claim that may be made by its manufacturer is not guaranteed or endorsed by the publisher.