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1.
Sci Rep ; 14(1): 14297, 2024 Jun 21.
Artigo em Inglês | MEDLINE | ID: mdl-38906950

RESUMO

This paper explores the complex interplay between topological indices and structural patterns in networks of iron telluride (FeTe). We want to analyses and characterize the distinct topological features of (FeTe) by utilizing an extensive set of topological indices. We investigate the relationship that these indicators have with the network's physical characteristics by employing sophisticated statistical techniques and curve fitting models. Our results show important trends that contribute to our knowledge of the architecture of the (FeTe) network and shed light on its physiochemical properties. This study advances the area of material science by providing a solid foundation for using topological indices to predict and analyses the behavior of intricate network systems. More preciously, we study the topological indices of iron telluride networks, an artificial substance widely used with unique properties due to its crystal structure. We construct a series of topological indices for iron telluride networks with exact mathematical analysis and determine their distributions and correlations using statistical methods. Our results reveal significant patterns and trends in the network structure when the number of constituent atoms increases. These results shed new light on the fundamental factors that influence material behavior, thus offering a deeper understanding of the iron telluride network and may contribute to future research and engineering of these materials.

2.
Sci Rep ; 14(1): 6931, 2024 Mar 23.
Artigo em Inglês | MEDLINE | ID: mdl-38521819

RESUMO

Covalent organic frameworks (ZnP-COFs) made of zinc-porphyrin have become effective materials with a variety of uses, including gas storage and catalysis. To simulate the structural and electrical features of ZnP-COFs, this study goes into the computation of polynomials utilizing degree-based indices. We gave a methodical study of these polynomial computations using Excel, illustrating the complex interrelationships between the various indices. Degree-based indices provide valuable insights into the connectivity of vertices within a network. M-polynomials, on the other hand, offer a mathematical framework for representing and studying the properties of 2D COFs. By encoding structural information into a polynomial form, M-polynomials facilitate the calculation of various topological indices, including the Wiener index, Zagreb indices, and more. The different behavior of ZnP-COFs based on degree-based indices was illustrated graphically, and this comparison provided insightful information for prospective applications and the construction of innovative ZnP-COF structures. Moreover, we discuss the relevance of these techniques in the broader context of materials science and the design of functional covalent organic frameworks.

3.
PLoS One ; 19(1): e0294580, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38165853

RESUMO

The crystalline material that is greenish-white and dissolves in water is iron chloride. It is utilized in sewage treatment, dyeing, and medicine. Graph entropy plays a significant role in measuring the complexity of atoms, molecules, and structures in nature. It has specific chemical applications in biology, neuroscience, and chemistry. A compound's molecular structure consists of many atoms. Particularly, hydrocarbons are a chemical combination of hydrogen and carbon atoms. In this article, we discuss the entropy of the chemical structure Iron (II) Chloride. Additionally, we discuss the idea of degree-based indices and compute the Shannon entropy(ENT) using these indices. The linear regression(LR) of various indices and entropies for iron chloride, FeCl2, is also discussed. Also, we link the degree-based indices and entropies via line fit.


Assuntos
Cloretos , Ferro , Entropia , Estrutura Molecular , Modelos Lineares
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