化学
拓扑指数
芳香性
分子图
多环芳烃
计算化学
图形
纳米化学
分子
碳氢化合物
化学物理
有机化学
拓扑(电路)
生物系统
理论计算机科学
计算机科学
数学
组合数学
生物
作者
Xuewu Zuo,Akbar Jahanbani,Murat Cancan
标识
DOI:10.1080/10406638.2023.2232574
摘要
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.
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