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一种开发特定分子图图形多项式的有效技术。

An effective technique for developing the graphical polynomials of certain molecular graphs.

机构信息

Department of Mathematics, College of Science, Jazan University, 45142, Jazan, Saudi Arabia.

Department of Mathematics, The Islamia University of Bahawalpur, Bahawalpur, 63100, Pakistan.

出版信息

Sci Rep. 2023 Mar 23;13(1):4764. doi: 10.1038/s41598-023-31623-7.

DOI:10.1038/s41598-023-31623-7
PMID:36959314
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10036473/
Abstract

Counting Polynomial is the mathematical function that was initially introduced for application in chemistry in 1936 by G. Polya. Partitioning of graphs can be seen in the coefficients of these mathematical functions, which also reveal the frequency with which these partitions happen. We developed a novel and efficient method for constructing the necessary counting polynomials for a zigzag-edge coronoid formed by the fusion of a Starphene graph and a Kekulenes graph. The study's methods expand our knowledge, and its findings potentially provide insight on the topology of these chemical structures.

摘要

计数多项式是一个数学函数,最初由 G. Polya 于 1936 年引入化学领域应用。这些数学函数的系数可以看到图的划分,也揭示了这些划分发生的频率。我们开发了一种新颖有效的方法,用于构建由星烷图形和 Kekulenes 图形融合形成的锯齿边冠状物所需的计数多项式。该研究的方法扩展了我们的知识,其发现可能为这些化学结构的拓扑学提供了一些启示。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a042/10036473/2bcd876eb845/41598_2023_31623_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a042/10036473/8bf9da00b21f/41598_2023_31623_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a042/10036473/2bcd876eb845/41598_2023_31623_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a042/10036473/8bf9da00b21f/41598_2023_31623_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a042/10036473/2bcd876eb845/41598_2023_31623_Fig2_HTML.jpg

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Correlations between the benzene character of acenes or helicenes and simple molecular descriptors.
Bioorg Med Chem Lett. 2004 Mar 8;14(5):1187-91. doi: 10.1016/j.bmcl.2003.12.062.