{"title":"Entropy Measures of Topological Indices Based Molecular Structure of Benzenoid Systems","authors":"Xuewu Zuo , Hajar Shooshtari , Murat Cancan","doi":"10.1080/10406638.2023.2225736","DOIUrl":null,"url":null,"abstract":"<div><p>Graph theory plays a significant role in the applications of chemistry, pharmacy, communication, maps, and aeronautical fields. A benzenoid is a class of chemical compounds with at least one benzene ring(hexagon as a graph) and resonance bonds in the benzene ring give increased stability in benzenoids. The molecules of chemical compounds are modeled as a graph to study the properties of the compounds. The geometric structure of the compound relates to a few physical properties such as boiling point, enthalpy, <em>π</em>-electron energy, and molecular weight. Entropy is a thermodynamic function in physics that measures the randomness and disorder of molecules in a particular system or process based on the diversity of configurations that molecules might take. Degree-based entropy is used to address a wide range of problems in the domains of mathematics, biology, chemical graph theory, organic and inorganic chemistry, and other disciplines. This paper focusses on computing analytical expressions of degree-based entropy measures for benzenoid systems.</p></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":null,"pages":null},"PeriodicalIF":2.4000,"publicationDate":"2024-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Polycyclic Aromatic Compounds","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S1040663823018596","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ORGANIC","Score":null,"Total":0}
引用次数: 0
Abstract
Graph theory plays a significant role in the applications of chemistry, pharmacy, communication, maps, and aeronautical fields. A benzenoid is a class of chemical compounds with at least one benzene ring(hexagon as a graph) and resonance bonds in the benzene ring give increased stability in benzenoids. The molecules of chemical compounds are modeled as a graph to study the properties of the compounds. The geometric structure of the compound relates to a few physical properties such as boiling point, enthalpy, π-electron energy, and molecular weight. Entropy is a thermodynamic function in physics that measures the randomness and disorder of molecules in a particular system or process based on the diversity of configurations that molecules might take. Degree-based entropy is used to address a wide range of problems in the domains of mathematics, biology, chemical graph theory, organic and inorganic chemistry, and other disciplines. This paper focusses on computing analytical expressions of degree-based entropy measures for benzenoid systems.
期刊介绍:
The purpose of Polycyclic Aromatic Compounds is to provide an international and interdisciplinary forum for all aspects of research related to polycyclic aromatic compounds (PAC). Topics range from fundamental research in chemistry (including synthetic and theoretical chemistry) and physics (including astrophysics), as well as thermodynamics, spectroscopy, analytical methods, and biology to applied studies in environmental science, biochemistry, toxicology, and industry. Polycyclic Aromatic Compounds has an outstanding Editorial Board and offers a rapid and efficient peer review process, as well as a flexible open access policy.