• 文献标题:   Neighbourhood Sum Degree-Based Indices and Entropy Measures for Certain Family of Graphene Molecules
  • 文献类型:   Article
  • 作  者:   YANG J, KONSALRAJ J, RAJA SAA
  • 作者关键词:   degreebased ti, mpolynomial, neighbourhood sum degreebased indice, entropy measure
  • 出版物名称:   MOLECULES
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   2
  • DOI:   10.3390/molecules28010168
  • 出版年:   2023

▎ 摘  要

A topological index (TI) is a real number that defines the relationship between a chemical structure and its properties and remains invariant under graph isomorphism. TIs defined for chemical structures are capable of predicting physical properties, chemical reactivity and biological activity. Several kinds of TIs have been defined and studied for different molecular structures. Graphene is the thinnest material known to man and is also extremely strong while being a good conductor of heat and electricity. With such unique features, graphene and its derivatives have found commercial uses and have also fascinated theoretical chemists. In this article, the neighbourhood sum degree-based M-polynomial and entropy measures have been computed for graphene, graphyne and graphdiyne structures. The proper analytical expressions for these indices are derived. The obtained results will enable theoretical chemists to study these exciting structures further from a structural perspective.