计算大体积聚合物和普通聚合物的基于度数的拓扑指数

IF 2.3 3区 化学 Q3 CHEMISTRY, PHYSICAL International Journal of Quantum Chemistry Pub Date : 2024-06-12 DOI:10.1002/qua.27435
Kiran Naz, Sarfraz Ahmad, Hafiz Muhammad Bilal, Muhammad Kamran Siddiqui
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引用次数: 0

摘要

聚合物是一种由被称为大分子的超大分子组成的物质或材料,由许多重复的亚基组成。大分子和普通聚合物是芳香族有机化合物的图形。本文的主要观点是阐述粗大聚合物和正常聚合物中萨格勒布连接、松博指数和还原松博指数的预期结果。在概率技术的帮助下,对所有链(如多壬基烷、多戊基烷、多苯基烷、环辛烷、环十二烷等)的通用预期结果进行了确定,这些链与烷烃有任何键(边)连接或无任何键(边)连接。松博拓扑指数是由化学信息学和数学化学领域的一组研究人员以塞尔维亚松博市的名字命名的。最后,我们找到了元聚合物、正聚合物和对位聚合物,从而确定了萨格勒布连接指数、松博指数和简化松博指数的平均值。
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Computing degree based topological indices for bulky and normal polymers

A polymer is a substance or material consisting of very large molecules called macromolecules, composed of many repeating subunits. The bulky and normal polymers are graphs of aromatic organic compounds. The main idea of this article is to elaborate the expected results of Zagreb connection, sombor and reduced sombor indices in bulky and normal polymers. The generalized expected results with the help of probability technique for all the chains like polyonino, pentachain, polyphenyl, cyclooctane cyclodecane and so on different chains for Alkanes have been determined which are connected with and without any bond (edge). The Sombor topological index is named after the city of Sombor in Serbia, where it was introduced by a group of researchers in the field of chemoinformatics and mathematical chemistry. At the end, we have find the meta, ortho and para polymers to define the average values of Zagreb connection, Sombor and reduced Sombor indices.

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来源期刊
International Journal of Quantum Chemistry
International Journal of Quantum Chemistry 化学-数学跨学科应用
CiteScore
4.70
自引率
4.50%
发文量
185
审稿时长
2 months
期刊介绍: Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter. Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.
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