On Molecular Descriptors of Polycyclic Aromatic Hydrocarbon

Zuo X., Jahanbani A., Cancan M.

Polycyclic Aromatic Compounds, vol.44, no.5, pp.3233-3242, 2024 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 44 Issue: 5
  • Publication Date: 2024
  • Doi Number: 10.1080/10406638.2023.2232574
  • Journal Name: Polycyclic Aromatic Compounds
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Applied Science & Technology Source, CAB Abstracts, Chemical Abstracts Core, Communication Abstracts, Computer & Applied Sciences, Food Science & Technology Abstracts, Metadex, Pollution Abstracts, Veterinary Science Database, Civil Engineering Abstracts
  • Page Numbers: pp.3233-3242
  • Keywords: 05C12, 05C80, 05C90, 05D40, General temperature topological, polycyclic aromatic hydrocarbons
  • Van Yüzüncü Yıl University Affiliated: Yes

Abstract

A variety of graphical invariants have been described and tested, offering lots of applications in the fields of nanochemistry, computational networks, and different scientific research areas. One commonly studied group of invariants is the topological index, which allows research on the chemical, biological, and physical properties of a chemical structure. Topological indices are numerical quantities that can be used to describe the properties of the molecular graph. In this article, we draw from the analytically closed formulas of molecular structures of polycyclic aromatic hydrocarbons by calculating temperature-based topological indices. Our results in this paper may be useful to better understand many physical and chemical properties of polycyclic aromatic hydrocarbons.