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一种生成硼酸二维结构基于顶点的拓扑特征的高效技术研究。

A Study on Efficient Technique for Generating Vertex-based Topological Characterization of Boric Acid 2D Structure.

作者信息

Jeyaraj Sahaya Vijay, Santiago Roy

机构信息

Department of Mathematics, Vellore Institute of Technology, Vellore 632 014, India.

出版信息

ACS Omega. 2023 Jun 9;8(25):23089-23097. doi: 10.1021/acsomega.3c02477. eCollection 2023 Jun 27.

DOI:10.1021/acsomega.3c02477
PMID:37396267
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10308567/
Abstract

The computational technique called the cut method is used to predict the natural behaviors among the chemical network's physicochemical characteristics, known as topological indices. Distance-based indices are used to describe the physical density of chemical networks. In this paper, we have done analytical computation results for the vertex-distance-based and vertex-degree-based indices for boric acid hydrogen-bonded 2D lattice sheet. Boric acid is an inorganic compound with low toxicity when applied to the skin or eaten. A graphical representation is used to explain a thorough comparison of the computed topological indices of hydrogen-bonded 2D lattice sheets of boric acid.

摘要

一种名为割线法的计算技术被用于预测化学网络物理化学特性(即拓扑指数)之间的自然行为。基于距离的指数用于描述化学网络的物理密度。在本文中,我们对硼酸氢键二维晶格片基于顶点距离和基于顶点度的指数进行了分析计算。硼酸是一种无机化合物,用于皮肤或食用时毒性较低。使用图形表示法来全面比较计算得到的硼酸氢键二维晶格片的拓扑指数。

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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd5d/10308567/fe36f4d6856a/ao3c02477_0008.jpg

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