基于松博描述符的环辛烷链数学预测值

Shabbir Ahmad, M. A. Malik, Muhammad Imran, Muhammad Azeem
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引用次数: 0

摘要

在计算化学领域,环辛烷是一种重要的环烷。这些化合物被认为是大环芳烃。环辛烷的性质和构象行为十分有趣,因此在炼金和有机生产中被广泛应用。在我们的研究中,我们通过研究环辛烷基团的主图框架来探索其构造属性。我们将具有各种可能性的非系统组考虑在内,并着手计算环辛烷特定结构的数学期望结构值。这些描述符来自基于原子度的分区和称为总度分区的更详细分区。此外,我们还对研究中的各种描述符进行了比较分析。此外,我们还强调了在这些描述符中表现出特定值的环辛烷链的独特类别。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Mathematical Predicted Values Based on Sombor Descriptors for Cyclooctane Chains
Cyclooctane group is a significant kind of cycloalkane in the field of computing chemistry. These compounds are considered macro cyclic aromatic hydrocarbons. The intriguing properties and conformational behaviors of Cyclooctane have led to their extensive utilization across various uses in both the alchemical and organic production. In our research, we explore the constructional attributes of Cyclooctane group by examining their primary graph framework. We take into account the unsystematically group with various possibilities and proceed to calculate the mathematical expectation structural value of a particular structure specific to Cyclooctane. These descriptors are derived from a partition based on atom degrees and a more detailed partition called sum-degree partition. Furthermore, we conduct a comparative analysis encompassing various descriptors that are a part of our study. Additionally, we highlight distinctive categories of Cyclooctane chains that exhibit specific values within these descriptors.
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