On Some Topological Indices of Metal-Organic Frameworks

被引：6

作者：

Yu, Yun ^{[1
]}

Khalid, Asma ^{[2
]}

Aamir, Muhammad ^{[2
]}

Siddiqui, Muhammad Kamran ^{[3
]}

Muhammad, Mehwish Hussain ^{[4
]}

Bashir, Yasir ^{[5
]}

机构：

[1] Anhui Xinhua Univ, Sch Big Data & Artificial Intelligence, Hefei, Peoples R China

[2] Air Univ Islamabad, Dept Math, Multan Campus, Multan, Pakistan

[3] Comsats Univ Islamabad, Dept Math, Lahore Campus, Lahore, Pakistan

[4] Zhengzhou Univ, Coll Chem, Sch Chem Engn & Energy, Zhengzhou, Peoples R China

[5] COMSATS Univ Islamabad, Dept Math, Wah Campus, Wah, Pakistan

来源：

POLYCYCLIC AROMATIC COMPOUNDS | 2023年 / 43卷 / 06期

关键词：

Multiple Zagreb indices; augmented Zagreb index; forgotten index; metal-organic frameworks; ZAGREB INDEXES; LINE GRAPHS;

D O I：

10.1080/10406638.2022.2105909

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Topological indices are very important because they are used in the study of QSAR (Quantitative Structure-Activity Relationships) and QSPR (Quantitative Structure-Property Relationships) which are mathematical models that show the properties among physicochemical, environmental, and biological activity of a chemical structure. The chemical structure of a molecular graph is used to find the topological indices, which are widely used in theoretical chemistry, environmental chemistry, toxicology, and many others for correlation analysis. Topological indices are numerical values that helps us in measuring the physical and chemical properties of any molecule. In this article, we have calculated some degree-based topological indices of two categories of Metal-Organic Frameworks (MOFs), named as, CoBHT (cobalt butylated hydroxytoluene) and FeTPyP (Iron tetrakis pyridyl porphyrin)-CO (MOFs), also their graphical results are compared at the end.

引用

页码：5607 / 5628

页数：22

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