On topological descriptors of ceria oxide and their applications

IF 1.8 3区 化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR Main Group Metal Chemistry Pub Date : 2021-01-01 DOI:10.1515/mgmc-2021-0015
M. K. Siddiqui, Y. Chu, Muhammad Nasir, M. Nadeem, M. Hanif
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引用次数: 13

Abstract

Abstract A topological descriptor is a mathematical illustration of a molecular construction that relates particular physicochemical properties of primary molecular structure as well its mathematical depiction. Topological co-indices are usually applied for quantitative structure actions relationships (QSAR) and quantitative structures property relationships (QSPR). Topological co-indices are topological descriptors which are considered the noncontiguous vertex set. We study the accompanying some renowned topological co-indices: first and second Zagreb co-indices, first and second multiplicative Zagreb co-indices and the F-coindex, and some other degree-based indices of the co-indices of ceria oxide.
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氧化铈的拓扑描述符及其应用
拓扑描述符是分子结构的数学描述,它与初级分子结构的特定物理化学性质及其数学描述有关。拓扑协指标通常用于定量结构作用关系(QSAR)和定量结构性质关系(QSPR)。拓扑协指标是一种被认为是不连续顶点集的拓扑描述符。我们研究了伴随的一些著名的拓扑指数:第一和第二萨格勒布指数,第一和第二乘萨格勒布指数和f -指数,以及氧化二氧化铈指数的一些其他基于度的指数。
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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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