Topological Descriptors of Crystal Carbon Graphite

被引:4
|
作者
Lal, Sohan [1 ]
Bhat, Vijay Kumar [1 ]
Sharma, Sahil [1 ]
机构
[1] Shri Mata Vaishno Devi Univ, Sch Math, Katra, Jammu & Kashmir, India
关键词
Allotrope of carbon; crystal carbon graphite; molecular graph; topological descriptor; 05c07; 05c10; 05c35; 05c40; BENZENOID HYDROCARBONS; ENTROPY; INDEXES; ENERGY;
D O I
10.1080/10406638.2023.2283197
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
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.
引用
收藏
页码:6659 / 6680
页数:22
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