化学图表的松博指数和共同指数

IF 2.4 3区化学 Q2 CHEMISTRY, ORGANIC

Polycyclic Aromatic Compounds Pub Date : 2024-05-27 DOI:10.1080/10406638.2023.2225683

Zenan Du , Lihua You , Hechao Liu , Yufei Huang

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引用次数: 0

摘要

拓扑指数在推导化合物结构特征、药物发现和有机合成化学中发挥着重要作用。本文研究了聚氨基胺、酞菁、石墨烯、冠状系统、碳纳米锥和四条无规链等一些化学图形的 Sombor 指数。讨论了松博指数与苯碳氢化合物某些理化性质的相关系数和线性回归分析，发现汽化焓、闪点和摩尔折射率与松博指数密切相关。

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The Sombor Index and Coindex of Chemical Graphs

Topological index plays an important role in the derivation of structural characteristics of compounds, drug discovery and organic synthetic chemistry. In this paper, we study the Sombor indices of some chemical graphs such as polyamidoamine, phthalocyanine, graphene, coronoid systems, carbon nanocones and four random chains. The correlation coefficient and linear regression analysis of the Sombor indices with some physicochemical properties of benzenoid hydrocarbons are discussed, and we find that the enthalpy of vaporization, flash point and molar refractivity are strongly correlated with the Sombor indices.

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来源期刊

Polycyclic Aromatic Compounds 化学-有机化学

CiteScore

3.70

自引率

20.80%

发文量

412

审稿时长

3 months

期刊介绍： The purpose of Polycyclic Aromatic Compounds is to provide an international and interdisciplinary forum for all aspects of research related to polycyclic aromatic compounds (PAC). Topics range from fundamental research in chemistry (including synthetic and theoretical chemistry) and physics (including astrophysics), as well as thermodynamics, spectroscopy, analytical methods, and biology to applied studies in environmental science, biochemistry, toxicology, and industry. Polycyclic Aromatic Compounds has an outstanding Editorial Board and offers a rapid and efficient peer review process, as well as a flexible open access policy.