• 文献标题:   Degree-based entropies of graphene, graphyne and graphdiyne using Shannon's approach
  • 文献类型:   Article
  • 作  者:   RAHUL MP, CLEMENT J, JUNIAS JS, AROCKIARAJ M, BALASUBRAMANIAN K
  • 作者关键词:   topological descriptor, edge partition method, shannon s entropy, graphene derivative
  • 出版物名称:   JOURNAL OF MOLECULAR STRUCTURE
  • ISSN:   0022-2860 EI 1872-8014
  • 通讯作者地址:  
  • 被引频次:   10
  • DOI:   10.1016/j.molstruc.2022.132797 EA MAR 2022
  • 出版年:   2022

▎ 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.