On analysis of two-dimensional nickel-based organometallic network via statistical method

IF 2.5 4区 化学 Q2 Engineering
Muhammad Farhan Hanif, Mazhar Hussain, Muhammad Kamran Siddiqui, Ebraheem Alzahrani, Zeeshan Saleem Mufti
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引用次数: 0

Abstract

In this paper, we investigate the structural and topological properties of two-dimensional nickel-based organometallic frameworks (2D Ni-MOFs) using various topological descriptors and entropy measures. The frameworks are analyzed by calculating degree-based, edge-based, and Shannon entropy measures to quantify structural complexity and connectivity patterns. Additionally, logarithmic regression models are applied to establish the relationship between entropy measures and topological indices. The results demonstrate that entropy measures effectively capture the structural characteristics of the networks, with logarithmic models providing excellent fits, as evidenced by high \(R^2\) values. Violin plots are used to represent the distribution of entropy values and how they correlate with the respective topological indices. This article offers insightful information on the application of topological descriptors and entropy values in the exploration of complex networks and offers a useful approach to interpreting the structural characteristics of two-dimensional nickel-based organometallic frameworks.

二维镍基有机金属网络的统计分析
本文利用不同的拓扑描述符和熵测度研究了二维镍基有机金属骨架(2D Ni-MOFs)的结构和拓扑性质。通过计算基于度的、基于边的和Shannon熵的度量来量化结构复杂性和连通性模式,对框架进行了分析。此外,采用对数回归模型建立熵测度与拓扑指标之间的关系。结果表明,熵测度有效地捕获了网络的结构特征,对数模型提供了极好的拟合,正如\(R^2\)的高值所证明的那样。小提琴图用于表示熵值的分布以及它们如何与各自的拓扑指标相关联。本文就拓扑描述符和熵值在复杂网络探索中的应用提供了有见地的信息,并为解释二维镍基有机金属框架的结构特征提供了有用的方法。
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
Chemical Papers
Chemical Papers Chemical Engineering-General Chemical Engineering
CiteScore
3.30
自引率
4.50%
发文量
590
期刊介绍: Chemical Papers is a peer-reviewed, international journal devoted to basic and applied chemical research. It has a broad scope covering the chemical sciences, but favors interdisciplinary research and studies that bring chemistry together with other disciplines.
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