通过直接和 NM-Polynomial 方法获得基于邻域度的纳米管拓扑指标

IF 2.3 3区化学 Q3 CHEMISTRY, PHYSICAL International Journal of Quantum Chemistry Pub Date : 2024-09-04 DOI:10.1002/qua.27474

Muhammad Irfan, Farhana Yasmeen, Shanza Aziz, Muzammil Mukhtar

{"title":"通过直接和 NM-Polynomial 方法获得基于邻域度的纳米管拓扑指标","authors":"Muhammad Irfan, Farhana Yasmeen, Shanza Aziz, Muzammil Mukhtar","doi":"10.1002/qua.27474","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>The analysis of various chemical structures can be done by using topological indices (TI), graph polynomials, and other useful tools that graph theory offers. The mathematical entries called TI are subtracted from the chemical structure. In this article, we investigate the neighborhood degree based topological indices of <span></span><math>\n <semantics>\n <mrow>\n <mi>T</mi>\n <mi>U</mi>\n <msub>\n <mrow>\n <mi>C</mi>\n </mrow>\n <mrow>\n <mn>4</mn>\n </mrow>\n </msub>\n <msub>\n <mrow>\n <mi>C</mi>\n </mrow>\n <mrow>\n <mn>8</mn>\n </mrow>\n </msub>\n <mo>(</mo>\n <mi>R</mi>\n <mo>)</mo>\n </mrow>\n <annotation>$$ TU{C}_4{C}_8(R) $$</annotation>\n </semantics></math> nanotube via direct and NM-polynomial. The indices which we have computed are first, second, third, fourth, fifth NDe indices, third version of Zagreb index, neighborhood second Zagreb index, neighborhood second modified Zagreb index, neighborhood forgotten topological index, neighborhood general Randic index, neighborhood inverse sum index, fourth atom bond connectivity index, fifth geometric arithmetic index, fifth arithmetic geometric index, fifth hyper first and second Zagreb index.</p>\n </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3000,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Neighborhood Degree Based Topological Indices of Nanotube via Direct and NM-Polynomial\",\"authors\":\"Muhammad Irfan, Farhana Yasmeen, Shanza Aziz, Muzammil Mukhtar\",\"doi\":\"10.1002/qua.27474\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n <p>The analysis of various chemical structures can be done by using topological indices (TI), graph polynomials, and other useful tools that graph theory offers. The mathematical entries called TI are subtracted from the chemical structure. In this article, we investigate the neighborhood degree based topological indices of <span></span><math>\\n <semantics>\\n <mrow>\\n <mi>T</mi>\\n <mi>U</mi>\\n <msub>\\n <mrow>\\n <mi>C</mi>\\n </mrow>\\n <mrow>\\n <mn>4</mn>\\n </mrow>\\n </msub>\\n <msub>\\n <mrow>\\n <mi>C</mi>\\n </mrow>\\n <mrow>\\n <mn>8</mn>\\n </mrow>\\n </msub>\\n <mo>(</mo>\\n <mi>R</mi>\\n <mo>)</mo>\\n </mrow>\\n <annotation>$$ TU{C}_4{C}_8(R) $$</annotation>\\n </semantics></math> nanotube via direct and NM-polynomial. The indices which we have computed are first, second, third, fourth, fifth NDe indices, third version of Zagreb index, neighborhood second Zagreb index, neighborhood second modified Zagreb index, neighborhood forgotten topological index, neighborhood general Randic index, neighborhood inverse sum index, fourth atom bond connectivity index, fifth geometric arithmetic index, fifth arithmetic geometric index, fifth hyper first and second Zagreb index.</p>\\n </div>\",\"PeriodicalId\":182,\"journal\":{\"name\":\"International Journal of Quantum Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2024-09-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Quantum Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/qua.27474\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Quantum Chemistry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/qua.27474","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

摘要

利用拓扑指数（TI）、图多项式和图论提供的其他有用工具，可以对各种化学结构进行分析。被称为 TI 的数学条目是从化学结构中减去的。在本文中，我们通过直接和 NM 多项式研究了 T U C 4 C 8 ( R ) $$ TU{C}_4{C}_8(R) $$ 纳米管的基于邻域度的拓扑指数。我们计算的指数包括第一、第二、第三、第四、第五 NDe 指数、第三版萨格勒布指数、邻域第二萨格勒布指数、邻域第二修正萨格勒布指数、邻域遗忘拓扑指数、邻域一般兰迪克指数、邻域逆和指数、第四原子键连通性指数、第五几何算术指数、第五算术几何指数、第五超第一和第二萨格勒布指数。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

摘要图片

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

Neighborhood Degree Based Topological Indices of Nanotube via Direct and NM-Polynomial

The analysis of various chemical structures can be done by using topological indices (TI), graph polynomials, and other useful tools that graph theory offers. The mathematical entries called TI are subtracted from the chemical structure. In this article, we investigate the neighborhood degree based topological indices of $T U C_{4} C_{8} (R)$ nanotube via direct and NM-polynomial. The indices which we have computed are first, second, third, fourth, fifth NDe indices, third version of Zagreb index, neighborhood second Zagreb index, neighborhood second modified Zagreb index, neighborhood forgotten topological index, neighborhood general Randic index, neighborhood inverse sum index, fourth atom bond connectivity index, fifth geometric arithmetic index, fifth arithmetic geometric index, fifth hyper first and second Zagreb index.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

International Journal of Quantum Chemistry 化学-数学跨学科应用

CiteScore

4.70

自引率

4.50%

发文量

185

审稿时长

2 months

期刊介绍： Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter. Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.

期刊最新文献

Issue Information Elucidating the Hydrolysis and Polymerization Reactions of Al3+-Solvated Molecules by Reactive Molecular Dynamics Simulation Spectrum-Based Topological Indices and Their QSPR Studies of Nonsteroidal Anti-Inflammatory Drugs Mechanism of Iron-Catalyzed C—H Alkenylation of Pivalophenone Derivatives With Unsymmetric Internal Alkynes Issue Information