Neighbourhood degree-based topological indices of graphene structure
01 Jan 2021-Vol. 11, Iss: 5, pp 13681-13694
About: The article was published on 2021-01-01 and is currently open access. It has received 8 citations till now. The article focuses on the topics: Neighbourhood (mathematics).
Citations
More filters
TL;DR: In this article , the authors derived two formulas for the number of spanning trees in a chain of diphenylene planar graphs that have connected intersection of one edge but where the diphenylenes have same sizes.
Abstract: Abstract Cheminformatics is a modern field of chemistry information science and mathematics that is very much helpful in keeping the data and getting information about chemicals. A new two-dimensional carbon known as diphenylene was identified and synthesized. It is considered one of the materials that have many applications in most fields such as catalysis. The number of spanning trees of a graph G, also known as the complexity of a graph G, denoted by τ(G), is an important, well-studied quantity in graph theory, and appears in a number of applications. In this paper, we introduce a new chemical compound that is a chain of diphenylene where any two diphenylene intersect by one edge. We derive two formulas for the number of spanning trees in a chain of diphenylene planar graphs that have connected intersection of one edge but where the diphenylenes have same sizes.
7 citations
TL;DR: In this paper , the reduced reverse degree-based topological indices and some closed neighbourhood degree sum-based indices for two different metal-organic frameworks in terms of the number of layers, as well as metal and organic ligands were computed.
Abstract: Abstract Metal-organic frameworks (MOFs) are permeable substances with a high porosity volume, excellent chemical stability, and a distinctive shape created by strong interactions between metal ions and organic ligands. Work on the synthesis, structures, and properties of numerous MOFs demonstrates their usefulness in a variety of applications, including energy storage devices with good electrode materials, gas storage, heterogeneous catalysis, and chemical assessment. The physico-chemical characteristics of the chemical compounds in the underlying molecular graph or structure are predicted by a topological index, which is a numerical invariant. In this article, we look at two different metal-organic frameworks in terms of the number of layers, as well as metal and organic ligands. We compute the reduced reverse degree-based topological indices and some closed neighbourhood degree sum-based topological indices for these frameworks.
2 citations
TL;DR: In this paper , the topological aspects of the crystal structure of metal-insulator transition superlattice (GST-SL) were investigated and the expressions for entropy of the network based on four topological indices were derived.
Abstract: The properties and activities of chemical compounds can be explored by computing topological descriptors of molecular compounds. We investigate the topological aspects of the crystal structure of metal-insulator transition superlattice (GST-SL) in this study. Metal-insulator transition superlattices (GST-SL) are useful as two-dimensional (2D) transition metal dichalcogenides (TMDs) in the form of thin films. For this Superlattice Network $$SL_{\eta }$$ , we calculate open and closed neighbourhood degree sum based topological indices. The numerical and graphical representations of computed results are presented. This helps in understanding the relationship between the topological index values and the levels of the $$GST-SL_{\eta }$$ network. We also derive the expressions for entropy of the $$GST-SL_{\eta }$$ network based on four topological indices. The best-fit regression models for entropy against the four topological indices have been derived.
TL;DR: In this paper , the sharp upper bounds of cactus graphs using different versions of SK indices are explored and determined. And extremal properties for these indices are also characterized due to many applications in pharmacology and medicinal chemistry.
Abstract: Sheehalli and Kanabur presented new forms of topological indices known as SK indices which have many applications in chemical graph theory towards QSPR/QSAR. A simple connected graph Γ is called a cactus graph if and only if any two cycles in the graph have no common edge. In this paper, we will explore and determine the sharp upper bounds of cactus graph using different versions of SK indices. We will also characterize the extremal properties for these indices due to many applications in pharmacology and medicinal chemistry.
TL;DR: In this article , the relationship between topological indices and polynomials in the chain of hexaphenylbenzene Ln has been deduced, which portrays the physio-substance properties.
References
More filters
01 Dec 2019
TL;DR: Topological indices are numeric quantities that transform chemical structure to real number as mentioned in this paper and are used in QSAR/QSPR studies to correlate the bioactivity and physiochemical proper.
Abstract: Topological indices are numeric quantities that transform chemical structure to real number. Topological indices are used in QSAR/QSPR studies to correlate the bioactivity and physiochemical proper...
20 citations
TL;DR: A topological index is a number with the property that for every graph H isomorphi... as discussed by the authors, where H is the number of isomorphic vertices of a graph.
Abstract: Graph theory has provided chemist with a variety of useful tools, such as topological indices. A topological index Top(G) of a graph G is a number with the property that for every graph H isomorphi...
15 citations
TL;DR: In this paper, correct expressions for some topological indices for para-line graph of honeycomb networks and graphene are exhibited.
Abstract: Graphene is an atomic scale honeycomb lattice made of the carbon atoms. Graph theory has given scientific expert an assortment of helpful apparatuses, for example, topological indices. A topological index Top(G) of a graph G is a number with the property that for each graph H isomorphic to G, Top(H) = Top(G). In this paper, we exhibit correct expressions for some topological indices for para-line graph of honeycomb networks and graphene.
13 citations
TL;DR: In this paper, theoretical results for some topological indices such as Zagreb indices and co-indices such as hyper-Zagreb index HM(G), atom-bond connectivity index ABC(G) were given.
Abstract: In this paper, we give theoretical results for some topological indices such as Zagreb indices , Zagreb co-indices hyper-Zagreb index HM(G), atom-bond connectivity index ABC(G), sum connectivity in
13 citations
TL;DR: In this article, the reverse degree based topological indices are discussed and compared with the traditional reverse degree-based topology indices, which are numerical values that correlate the chemical structures with physical properties.
Abstract: Topological indices are numerical values that correlate the chemical structures with physical properties. In this article, we will discuss some new reverse degree based topological indices ...
12 citations