由两个图运算及其拓扑描述符的一般化所设计的结构

IF 1.8 3区 化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR
H. Raza, Muhammad Waheed, M. Jamil, Muhammad Azeem
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引用次数: 10

摘要

图论服务于不同的科学领域,特别是在化学领域,它创造了复杂的结构并研究了它们的巨大性质。图运算是一种利用基本图构造复杂化学结构的工具。在研究它们的性质时,拓扑描述符是化学家们引入的一种众所周知的方法,即使在半个世纪过去了,它仍然在使用。形式上,拓扑描述符或索引是与化学结构相对应的数值。这个数值可以很容易地通过一个特定的方程访问,例如,第二个Zagreb索引,第一个重新表述的Zagreb,也可以从被遗忘的拓扑描述符访问。在这项特殊的工作中,我们推广了现有的两种图运算,并利用这些新开发的图运算,利用两种图运算,即电晕积和双图运算,创建了两个复杂的结构。此外,为了评估这些新生成结构的化学性质,我们使用了拓扑描述符的方法,特别是第一和第二萨格勒布,第一个重新表述的萨格勒布,以及被遗忘的拓扑描述符。此外,我们还给出了这些新生成结构的第一和第二萨格勒布协指数的封闭公式。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Structures devised by the generalizations of two graph operations and their topological descriptors
Abstract Graph theory served in different fields of sciences, especially in chemistry in which creating complex structures and studying their enormous properties. Graph operation is a tool to construct complex chemical structures using basic graphs. While studying their properties, topological descriptors are a well-known methodology introduced by chemists, and even after half of a century past, it is still serving. Formally, a topological descriptor or index is a numerical value corresponding to a chemical structure. This numerical value can be easily accessed by a particular equation, for example, the second Zagreb index, the first reformulated Zagreb, and also from the forgotten topological descriptor. In this particular work, we generalized two existing graph operations, and by using these newly developed graph operations, we created two complex structures by using two graph operations, namely, the corona product and double graph operation. Furthermore, to evaluate the chemical properties of these newly generated structures, we used the methodology of topological descriptors, particularly the first and second Zagreb, the first reformulated Zagreb, and forgotten topological descriptors. Moreover, we also presented the closed formulas of the first and second Zagreb co-indices for these newly generated structures.
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来源期刊
Main Group Metal Chemistry
Main Group Metal Chemistry CHEMISTRY, INORGANIC & NUCLEAR-CHEMISTRY, ORGANIC
CiteScore
4.10
自引率
27.80%
发文量
21
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.
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