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
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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
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TL;DR: In this article, the third Zagreb index, first Zag Croatia polynomial, second Zag Croatian polynomials and symmetric division polynomorphisms of Graphene were computed.
Abstract: In this manuscript we have computed third Zagreb index, first Zagreb polynomial, second Zagreb polynomial, third Zagreb polynomial, hyper Zagreb polynomial, forgotten index, forgotten polynomial, symmetric division index and symmetric division polynomial of Graphene. These quantities are based on degrees of the vertices.
5 citations
01 Jan 2021
TL;DR: In this article, the reduced neighborhood topological indices and RNM-polynomial of some of the antiviral agents were calculated and used for finding new medicine and vaccine for the treatment of COVID-19 pandemic.
Abstract: A graphical index is a numeric value corresponding to a structurally invariant graph, and in molecular graph theory, these invariants are known as topological indices In the field of Chemical and Medical Sciences, the topological indices are used to study the chemical, biological, medical, and pharmaceutical features of drugs Concerning the previous deadly diseases, the COVID-19 pandemic has been considered the biggest life-threatening issue that modern medicines have ever tackled COVID-19 is immedicable, and even the existing treatments are only helping a certain group of sufferers Scientists have tested available antiviral agents and got a favorable impact on recovering from the pandemic Some of these antiviral agents are remdesivir, chloroquine, hydroxychloroquine, theaflavin, and dexamethasone Keeping given the importance of topological indices in the study of pharmaceutical and chemical drugs, in this paper, we calculate the reduced neighborhood topological indices and RNM-polynomial of some of the antiviral agents remdesivir, chloroquine, hydroxychloroquine, theaflavin, and dexamethasone The results thus obtained may be useful for finding new medicine and vaccine for the treatment of COVID-19
3 citations
01 May 2018
3 citations
3 citations