Topological Descriptors of Crystal Carbon Graphite

IF 2.4 3区 化学 Q2 CHEMISTRY, ORGANIC Polycyclic Aromatic Compounds Pub Date : 2024-11-25 DOI:10.1080/10406638.2023.2283197
Sohan Lal , Vijay Kumar Bhat , Sahil Sharma
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Abstract

Graph theory plays an important role in modeling, designing, and analyzing the structural characteristics of any molecular structure or complex network. The numerical quantities associated with a molecular structure are called topological descriptors. These descriptors are essential for understanding the topology of molecular structures and their physicochemical properties. In this paper, we study the molecular structure of crystal carbon graphite for r-level, which is one of the most well-known allotropes of carbon. Furthermore, some topological descriptors for the molecular structure of crystal carbon graphite have been computed using degree and neighborhood degree sum-based techniques. The obtained results may be used in understanding the structural characteristics and making predictions about certain physiochemical properties of crystal carbon graphite.
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晶体碳石墨的拓扑描述符
图论在建模、设计和分析任何分子结构或复杂网络的结构特征方面发挥着重要作用。与m…相关的数值。
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来源期刊
Polycyclic Aromatic Compounds
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.
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