Computation of edge- and vertex-degree-based topological indices for tetrahedral sheets of clay minerals

IF 1.8 3区化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR

Main Group Metal Chemistry Pub Date : 2022-01-01 DOI:10.1515/mgmc-2022-0007

A. Ahmad, A. Ahmad, Muhammad Azeem

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引用次数: 9

Abstract

Abstract In terms of soil conditions, clay minerals infrequently occur as homogenous mixtures of single constituents, gatherings, stages, or types of minerals. Rather, they contain intricate arrays of essential minerals and rippling intermediates of numerous basic and synergistic mixtures. There is also the possibility that a discrete mineral grain is composed of more than one clay type or has sections that are intermediate amongst two chosen minerals. Such minerals are alluded to as inter-stratified or mixed-layer minerals. The structures of clay minerals are the most researched compound in contemporary materials science. Tetrahedral sheets of clay minerals (TSCM) are one of the most well-known structures concentrated in materials science. QSPR/QSAR of the TSCM compounds requires articulations for the topological characteristic of these substances. Topological descriptors are indispensable gadgets for exploring chemical substances to understand the basic geography or physical properties of such chemical structures. In this article, we determine the edge-vertex-degree and vertex-edge-degree topological indices for TSCM.

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基于边缘和顶点度的四面体粘土矿物薄片拓扑指数的计算

就土壤条件而言，粘土矿物很少以单一成分、集合体、阶段或矿物类型的均质混合物的形式出现。更确切地说，它们包含了复杂的基本矿物质阵列和许多基本和协同混合物的涟漪中间体。还有一种可能性是，一种分离的矿物颗粒由一种以上的粘土类型组成，或者其部分介于两种选定的矿物之间。这种矿物被称为层间矿物或混合层矿物。粘土矿物的结构是当代材料科学中研究最多的化合物。四面体粘土矿物薄片是材料科学中最著名的结构之一。TSCM化合物的QSPR/QSAR需要阐明这些物质的拓扑特性。拓扑描述符是探索化学物质、了解化学结构的基本地理或物理性质所不可缺少的工具。在本文中，我们确定了TSCM的边-顶点度和顶点-边缘度拓扑指标。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Main Group Metal Chemistry CHEMISTRY, INORGANIC & NUCLEAR-CHEMISTRY, ORGANIC

CiteScore

4.10

自引率

27.80%

发文量

审稿时长

4 weeks

期刊介绍： This journal is committed to the publication of short communications, original research, and review articles within the field of main group metal and semi-metal chemistry, Main Group Metal Chemistry is an open-access, peer-reviewed journal that publishes in ongoing way. Papers addressing the theoretical, spectroscopic, mechanistic and synthetic aspects of inorganic, coordination and organometallic main group metal and semi-metal compounds, including zinc, cadmium and mercury are welcome. The journal also publishes studies relating to environmental aspects of these metals, their toxicology, release pathways and fate. Articles on the applications of main group metal chemistry, including in the fields of polymer chemistry, agriculture, electronics and catalysis, are also accepted.