https://doi.org/10.1140/epjp/s13360-020-01033-z
Regular Article
Degree- and irregularity-based molecular descriptors for benzenoid systems
1
Department of Mathematics, Huzhou University, 313000, Huzhou, People’s Republic of China
2
Hunan Provincial Key Laboratory of Mathematical Modeling and Analysis in Engineering, Changsha University of Science & Technology, 410114, Changsha, People’s Republic of China
3
Department of Mathematics, Sri Sivasubramaniya Nadar College of Engineering, 603110, Kalavakkam, Tamil Nadu, India
4
Department of Mathematics, Comsats University Islamabad, Lahore Campus, Lahore, Pakistan
5
Department of Mathematics, Sri Venkateswara College of Engineering, 602117, Sriperumbudur, Tamil Nadu, India
Received:
27
October
2020
Accepted:
21
December
2020
Published online:
13
January
2021
The study of benzenoid systems has been steadily gaining momentum due to their extensive applications in many emerging fields including nanosciences. Topological descriptors provide a mathematical expression of the molecular structure of chemical compounds and their properties. They serve as efficient and cost-effective tools to theoretically predict the properties of compounds using quantitative structure–activity (QSAR) and structure–property relationship (QSPR) studies. This paper demonstrates the computation of degree-based and irregularity-based topological descriptors using edge-partition techniques for two benzenoid structures. This analysis of degree-based descriptors for these structures can lay the basis for further exploration into benzenoids and their properties.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2021
