一种用于寻找基于价态的 Niobium Oxide 和金属有机骨架的 Paradigmatic 方法——Banhatti 和重新定义的萨格勒布熵。

A Paradigmatic Approach to Find the Valency-Based -Banhatti and Redefined Zagreb Entropy for Niobium Oxide and a Metal-Organic Framework.

机构信息

Institute of Mathematics, Khawaja Fareed University of Engineering & Information Technology, Abu Dhabi Road, Rahim Yar Khan 64200, Pakistan.

Center of Research, Faculty of Engineering, Future University in Egypt, New Caira 11835, Egypt.

出版信息

Molecules. 2022 Oct 17;27(20):6975. doi: 10.3390/molecules27206975.

DOI:10.3390/molecules27206975

PMID:36296567

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9610924/

Abstract

Entropy is a thermodynamic function in chemistry that reflects the randomness and disorder of molecules in a particular system or process based on the number of alternative configurations accessible to them. Distance-based entropy is used to solve a variety of difficulties in biology, chemical graph theory, organic and inorganic chemistry, and other fields. In this article, the characterization of the crystal structure of niobium oxide and a metal-organic framework is investigated. We also use the information function to compute entropies by building these structures with degree-based indices including the -Banhatti indices, the first redefined Zagreb index, the second redefined Zagreb index, the third redefined Zagreb index, and the atom-bond sum connectivity index.

摘要

熵是化学中的热力学函数，它反映了特定系统或过程中分子的随机性和无序性，基于它们可达到的替代构型的数量。基于距离的熵用于解决生物学、化学图论、有机和无机化学等领域的各种困难。在本文中，我们研究了氧化铌和金属有机骨架的晶体结构的特征。我们还使用信息函数通过构建这些结构来计算熵，这些结构的度指标包括-Banhatti 指标、第一个重新定义的扎格指标、第二个重新定义的扎格指标、第三个重新定义的扎格指标和原子键和连接指数。