原子价块指数的数学性质及其化学应用

{"title":"原子价块指数的数学性质及其化学应用","authors":"","doi":"10.33263/lianbs124.103","DOIUrl":null,"url":null,"abstract":"The Atom Valency Block (AVB) Indices of an undirected, finite, simple, connected molecular graph/graph G = (V, E) are defined as〖 AVB〗_1 (G) ∑_(u∈V)▒〖[d(u)b(u)] 〗and〖 AVB〗_2 (G)=∑_(u∈V)▒〖[d(u)×b(u)]〗, where the valency (or degree) d(u) of an atom (or vertex) u is the number of atoms adjacent to u, and the block number b(u) of an atom (vertex) u represents the number of blocks of G containing u (the maximal non-separable subgraph of a graph is said to be the block of that graph). In this article, we initiate these new molecular descriptors to compute exact values of separable and non-separable graph and found some inequalities in terms of the order, size, and minimum/maximum valency. Also, we have made comparisons concerning other pre-existing atom valency-based descriptors. In addition, we present the statistical analysis of some chemical trees via scatter plotted correlations between AVB indices and other well-known atom valency-based descriptors.","PeriodicalId":18009,"journal":{"name":"Letters in Applied NanoBioScience","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2022-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mathematic Properties and their Chemical Applicabilities of Atom Valency Block Indices\",\"authors\":\"\",\"doi\":\"10.33263/lianbs124.103\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The Atom Valency Block (AVB) Indices of an undirected, finite, simple, connected molecular graph/graph G = (V, E) are defined as〖 AVB〗_1 (G) ∑_(u∈V)▒〖[d(u)b(u)] 〗and〖 AVB〗_2 (G)=∑_(u∈V)▒〖[d(u)×b(u)]〗, where the valency (or degree) d(u) of an atom (or vertex) u is the number of atoms adjacent to u, and the block number b(u) of an atom (vertex) u represents the number of blocks of G containing u (the maximal non-separable subgraph of a graph is said to be the block of that graph). In this article, we initiate these new molecular descriptors to compute exact values of separable and non-separable graph and found some inequalities in terms of the order, size, and minimum/maximum valency. Also, we have made comparisons concerning other pre-existing atom valency-based descriptors. In addition, we present the statistical analysis of some chemical trees via scatter plotted correlations between AVB indices and other well-known atom valency-based descriptors.\",\"PeriodicalId\":18009,\"journal\":{\"name\":\"Letters in Applied NanoBioScience\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-09-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Letters in Applied NanoBioScience\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.33263/lianbs124.103\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Letters in Applied NanoBioScience","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.33263/lianbs124.103","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

原子的化合价块(真空断路)指数无向的,有限的,简单,连接分子图/图G = (V, E)被定义为美国真空断路〗_1 (G)∑_ (u∈V)美国▒[d (u) b (u)]美国和真空断路〗_2 (G) =∑_ (u∈V)美国▒[d (u)×b (u)]〗,价(或学位)的d (u)的原子(或顶点)u是相邻原子的数量,和原子的批号b (u)(顶点)u代表G包含块的数量(最大不可分离的子图的图是图的块)。在本文中,我们提出了这些新的分子描述符来计算可分和不可分图的精确值,并在顺序、大小和最小/最大价方面发现了一些不等式。此外,我们还对其他已有的基于原子价的描述符进行了比较。此外,我们还通过AVB指数与其他已知的基于原子价的描述符之间的散点图相关性,对一些化学树进行了统计分析。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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
Mathematic Properties and their Chemical Applicabilities of Atom Valency Block Indices
The Atom Valency Block (AVB) Indices of an undirected, finite, simple, connected molecular graph/graph G = (V, E) are defined as〖 AVB〗_1 (G) ∑_(u∈V)▒〖[d(u)b(u)] 〗and〖 AVB〗_2 (G)=∑_(u∈V)▒〖[d(u)×b(u)]〗, where the valency (or degree) d(u) of an atom (or vertex) u is the number of atoms adjacent to u, and the block number b(u) of an atom (vertex) u represents the number of blocks of G containing u (the maximal non-separable subgraph of a graph is said to be the block of that graph). In this article, we initiate these new molecular descriptors to compute exact values of separable and non-separable graph and found some inequalities in terms of the order, size, and minimum/maximum valency. Also, we have made comparisons concerning other pre-existing atom valency-based descriptors. In addition, we present the statistical analysis of some chemical trees via scatter plotted correlations between AVB indices and other well-known atom valency-based descriptors.
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
CiteScore
2.40
自引率
0.00%
发文量
0
期刊最新文献
Morphology and Anti-microbial Studies of Zinc Stannate Nanoparticles Constructed via Green Synthesis Approach Pre-column Derivatization¸ Elution Order, Molecular Configuration and Green Chromatographic Separation of Diastereomeric Derivatives of β-Amino Alcohols Physico-Chemical, Ultrasonic, and Structural Studies on Dextrin with alpha-Amylase in Aqueous Media At 298.15 K A Comprehensive Review on the Antimicrobial and Photocatalytic Properties of Green Synthesized Silver Nanoparticles Sorption Removal of Methylene Blue Dye from Aqueous Solution by Powdered Yellow Flame Tree Flower (Peltophorum pterocarpum)
×
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:481959085
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