The inextricable links among adjacency matrix, incidence matrix, and topological indices

IF 2.4 3区 化学 Q4 CHEMISTRY, PHYSICAL Chemical Physics Pub Date : 2025-03-01 Epub Date: 2024-12-26 DOI:10.1016/j.chemphys.2024.112589
P. Manivannan , M. Sundarakannan
{"title":"The inextricable links among adjacency matrix, incidence matrix, and topological indices","authors":"P. Manivannan ,&nbsp;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":2.4000,"publicationDate":"2025-03-01","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":"2024/12/26 0:00:00","PubModel":"Epub","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 Su(A) 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.
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
邻接矩阵、关联矩阵和拓扑指标之间不可分割的联系
图矩阵提供了分子的简洁和结构化的表示,促进了图论在分子化学领域的应用。本文采用邻接矩阵、关联矩阵和距离矩阵三种图矩阵,建立了若干拓扑指标与其关联图矩阵之间的继承关系。同时,利用图矩阵的奇异值,导出了一个计算简单图中三角形个数的新公式。矩阵Su(a)的所有元素的和在建立这些关系中起着至关重要的作用。本研究同时考虑了基于距离和基于程度的指标。利用图矩阵研究了图的笛卡儿积和给定图的细分图的拓扑指标。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Chemical Physics
Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
4.60
自引率
4.30%
发文量
278
审稿时长
39 days
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.
期刊最新文献
A comparative theoretical analysis of Kr-AgX (X = F, Cl, Br, I) complexes: from ab initio potential energy surfaces to microwave transitions Potential of Sc2NO2 as an anode material for Li/Na/K Metal-Ion batteries: A first-principles calculation Dynamical properties of nanosized-water droplets First principles study of defect-induced electronic properties across temperature-dependent phases of BaTiO₃ First principles investigation on adsorption mechanism of CsCl and SrCl2 molecules on the Mg-montmorillonite (010) surface
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1