Topological Descriptors of Crystal Carbon Graphite

IF 2.6 3区 化学 Q2 CHEMISTRY, ORGANIC Polycyclic Aromatic Compounds Pub Date : 2024-11-25 DOI:10.1080/10406638.2023.2283197
Sohan Lal , Vijay Kumar Bhat , Sahil Sharma
{"title":"Topological Descriptors of Crystal Carbon Graphite","authors":"Sohan Lal ,&nbsp;Vijay Kumar Bhat ,&nbsp;Sahil Sharma","doi":"10.1080/10406638.2023.2283197","DOIUrl":null,"url":null,"abstract":"<div><div>Graph theory plays an important role in modeling, designing, and analyzing the structural characteristics of any molecular structure or complex network. The numerical quantities associated with a molecular structure are called topological descriptors. These descriptors are essential for understanding the topology of molecular structures and their physicochemical properties. In this paper, we study the molecular structure of crystal carbon graphite for <em>r</em>-level, which is one of the most well-known allotropes of carbon. Furthermore, some topological descriptors for the molecular structure of crystal carbon graphite have been computed using degree and neighborhood degree sum-based techniques. The obtained results may be used in understanding the structural characteristics and making predictions about certain physiochemical properties of crystal carbon graphite.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"44 10","pages":"Pages 6659-6680"},"PeriodicalIF":2.6000,"publicationDate":"2024-11-25","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/S1040663823021218","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 an important role in modeling, designing, and analyzing the structural characteristics of any molecular structure or complex network. The numerical quantities associated with a molecular structure are called topological descriptors. These descriptors are essential for understanding the topology of molecular structures and their physicochemical properties. In this paper, we study the molecular structure of crystal carbon graphite for r-level, which is one of the most well-known allotropes of carbon. Furthermore, some topological descriptors for the molecular structure of crystal carbon graphite have been computed using degree and neighborhood degree sum-based techniques. The obtained results may be used in understanding the structural characteristics and making predictions about certain physiochemical properties of crystal carbon graphite.
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
晶体碳石墨的拓扑描述符
图论在建模、设计和分析任何分子结构或复杂网络的结构特征方面发挥着重要作用。与m…相关的数值。
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
Polycyclic Aromatic Compounds
Polycyclic Aromatic Compounds 化学-有机化学
CiteScore
3.70
自引率
20.80%
发文量
412
审稿时长
3 months
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.
期刊最新文献
An Efficient and Attractive Synthetic Protocol for Three-component Preparation of NH-1,2,3-Triazoles Using a Novel Magnetically Recoverable Copper Catalyst Synthesis and Chemical Exploration of an Organic Exocyclic Chalcone Derivative for Its Therapeutic Proficiency against Breast Cancer Synthesis and Antimicrobial Activity of Some of Isoindolin-1-One-3-Phosphonates under Mild and Solvent-Free Conditions Synthesis and Investigation of Antimicrobial, Antioxidant, Enzymatic Inhibitory, and Antiproliferative Activities of Ruthenium (II) Complexes Bearing Benzimidazole-Based N-Heterocyclic Carbene (NHC) Ligands A Green and Efficient Approach for Preparation of Diaryl Sulfones: Fe3O4@DABA-PA-CuBr2 Nanocomposite Catalyzed One-Pot Three-Component Aryl Iodides, Aryl Boronic Acids, and DABSO (as SO2 Source)
×
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