Abstract

The novel applications in chemistry include the mathematical models of molecular structure of the compounds which has numerous findings in this area that refers to mathematical chemistry. Topological descriptors play a major role in QSAR/QSPR studies that analyses the biological and physicochemical properties of the compounds. In the recent times, a new type of topological descriptors are proposed, called K-Banhatti indices. In this study the chemical applicability of K-Banhatti indices are examined for benzenoid hydrocarbons (derivatives of benzene). These indices have shown remarkable results through the study of statistical analysis. Subsequently, triazine-based covalent organic frameworks (CoF’s) are studied for which B1(G), B2(G), HB1(G), HB2(G), mB1(G), mB2(G), and HB(G) of a graph G are computed.

Details

Title
Chemical applicability and computation of K-Banhatti indices for benzenoid hydrocarbons and triazine-based covalent organic frameworks
Author
Shanmukha, M. C. 1 ; Ismail, Rashad 2 ; Gowtham, K. J. 3 ; Usha, A. 4 ; Azeem, Muhammad 5 ; Al-Sabri, Esmail Hassan Abdullatif 6 

 PES Institute of Technology and Management, Department of Mathematics, Shivamogga, India (GRID:grid.464662.4) (ISNI:0000 0004 1773 6241) 
 King Khalid University, Department of Mathematics, Faculty of Science and Arts, Mahayl Assir, Abha, Saudi Arabia (GRID:grid.412144.6) (ISNI:0000 0004 1790 7100); Ibb University, Department of Mathematics and Computer, Faculty of Science, Ibb, Yemen (GRID:grid.444909.4) 
 Tumkur University, Department of Mathematics, University College of Science, Tumakuru, India (GRID:grid.412825.8) (ISNI:0000 0004 1756 5761) 
 Alliance University, Department of Mathematics, Alliance School of Applied Mathematics, Bangalore, India (GRID:grid.448773.b) (ISNI:0000 0004 1776 2773) 
 Riphah International University Lahore, Department of Mathematics, Lahore, Pakistan (GRID:grid.414839.3) (ISNI:0000 0001 1703 6673) 
 King Khalid University, Department of Mathematics, Faculty of Science and Arts, Mahayl Assir, Abha, Saudi Arabia (GRID:grid.412144.6) (ISNI:0000 0004 1790 7100) 
Pages
17743
Publication year
2023
Publication date
2023
Publisher
Nature Publishing Group
e-ISSN
20452322
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2878564543
Copyright
© The Author(s) 2023. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.