Degree-based entropies of graphene, graphyne and graphdiyne using Shannon's approach

被引：41

作者：

Rahul, M. P. ^{[1
]}

Clement, Joseph ^{[1
]}

Junias, J. Singh ^{[1
]}

Arockiaraj, Micheal ^{[2
]}

Balasubramanian, Krishnan ^{[3
]}

机构：

[1] Vellore Inst Technol, Sch Adv Sci, Dept Math, Vellore, Tamil Nadu, India

[2] Loyola Coll, Dept Math, Chennai, Tamil Nadu, India

[3] Arizona State Univ, Sch Mol Sci, Tempe, AZ 85287 USA

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2022年 / 1260卷

关键词：

Topological descriptors; Edge partition method; Shannon's entropy; Graphene derivatives; TOPOLOGICAL INDEXES;

D O I：

10.1016/j.molstruc.2022.132797

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Topological indices are graph-theoretically based parameters that enable the characterization of the underlying connectivity of a molecular structure. Many chemical properties have been linked to degreebased topological indices, which have been extensively studied. The study of entropy indices of graphs as a measure of complexity of the underlying connectivity and as a tool for the characterization of structural properties has also been gaining importance. Current work deals with certain substructures derived from hexagonal honeycomb graphite lattices such as graphene (GN), graphyne (GY) and graphdiyne (GDY). This paper investigates several degree-based topological indices of these structures by using the graph-theory based edge partition method. We have computed several topological indices including graph-based entropies of these structures as determined using Shannon's entropy model. (c) 2022 Elsevier B.V. All rights reserved.

引用

页数：10

共 38 条

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