{"title":"The inextricable links among adjacency matrix, incidence matrix, and topological indices","authors":"P. Manivannan , M. Sundarakannan","doi":"10.1016/j.chemphys.2024.112589","DOIUrl":null,"url":null,"abstract":"<div><div>Graph matrices provide a concise and structured representation of molecules, facilitating the application of graph theory in the field of molecular chemistry. In this research, we used three types of graph matrices: the adjacency matrix, the incidence matrix, and the distance matrix, to establish the inherited relationship between a few topological indices and their associated graph matrices. Also, we derived a new formula to count the number of triangles in a simple graph using the singular values of graph matrices. The sum of all elements of a matrix <span><math><mrow><mi>S</mi><mi>u</mi><mrow><mo>(</mo><mi>A</mi><mo>)</mo></mrow></mrow></math></span> plays a vital role in establishing these relations. For this study, both distance-based and degree-based indices were taken into account. We explored the topological indices of the cartesian product of a graph and the subdivision graphs of a given graph using graph matrices.</div></div>","PeriodicalId":272,"journal":{"name":"Chemical Physics","volume":"591 ","pages":"Article 112589"},"PeriodicalIF":2.0000,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S030101042400418X","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Graph matrices provide a concise and structured representation of molecules, facilitating the application of graph theory in the field of molecular chemistry. In this research, we used three types of graph matrices: the adjacency matrix, the incidence matrix, and the distance matrix, to establish the inherited relationship between a few topological indices and their associated graph matrices. Also, we derived a new formula to count the number of triangles in a simple graph using the singular values of graph matrices. The sum of all elements of a matrix plays a vital role in establishing these relations. For this study, both distance-based and degree-based indices were taken into account. We explored the topological indices of the cartesian product of a graph and the subdivision graphs of a given graph using graph matrices.
期刊介绍:
Chemical Physics publishes experimental and theoretical papers on all aspects of chemical physics. In this journal, experiments are related to theory, and in turn theoretical papers are related to present or future experiments. Subjects covered include: spectroscopy and molecular structure, interacting systems, relaxation phenomena, biological systems, materials, fundamental problems in molecular reactivity, molecular quantum theory and statistical mechanics. Computational chemistry studies of routine character are not appropriate for this journal.