{"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":"30 1","pages":""},"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\":\"30 1\",\"pages\":\"\"},\"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}
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.