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result(s) for
"zagreb polynomials"
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Computing Zagreb Indices and Zagreb Polynomials for Symmetrical Nanotubes
Topological indices are numbers related to sub-atomic graphs to allow quantitative structure-movement/property/danger connections. These topological indices correspond to some specific physico-concoction properties such as breaking point, security, strain vitality of chemical compounds. The idea of topological indices were set up in compound graph hypothesis in view of vertex degrees. These indices are valuable in the investigation of mitigating exercises of specific Nanotubes and compound systems. In this paper, we discuss Zagreb types of indices and Zagreb polynomials for a few Nanotubes covered by cycles.
Journal Article
Topological Characterization of Carbon Graphite and Crystal Cubic Carbon Structures
2017
Graph theory is used for modeling, designing, analysis and understanding chemical structures or chemical networks and their properties. The molecular graph is a graph consisting of atoms called vertices and the chemical bond between atoms called edges. In this article, we study the chemical graphs of carbon graphite and crystal structure of cubic carbon. Moreover, we compute and give closed formulas of degree based additive topological indices, namely hyper-Zagreb index, first multiple and second multiple Zagreb indices, and first and second Zagreb polynomials.
Journal Article
Distance and Degree Based Topological Indices of Cog-Wheel Graph, n-Barbell Graph and Boron Kagome Lattice
2024
Let G = ( V, E ), be a graph with vertex and edge set, say V ( G ) and E ( G ). In chemical graphs the vertices and edges of the graphs represents atoms and chemical bond of the molecule. Since the distance based topological indices having high degree of predictability of pharmacological properties. In this paper we compute Eccentricity connectivity polynomial, Total eccentricity polynomial of Barbell graph and Cog wheel graph and degree based topological indices of Boron kagome lattice chemical structure.
Journal Article
Some Novel Results Involving Prototypical Computation of Zagreb Polynomials and Indices for SiO4 Embedded in a Chain of Silicates
by
Alhushaybari, Abdullah
,
Liu, Jia-Bao
,
Tag El Din, El Sayed M.
in
Chemistry
,
Molecular structure
,
Polynomials
2023
A topological index as a graph parameter was obtained mathematically from the graph’s topological structure. These indices are useful for measuring the various chemical characteristics of chemical compounds in the chemical graph theory. The number of atoms that surround an atom in the molecular structure of a chemical compound determines its valency. A significant number of valency-based molecular invariants have been proposed, which connect various physicochemical aspects of chemical compounds, such as vapour pressure, stability, elastic energy, and numerous others. Molecules are linked with numerical values in a molecular network, and topological indices are a term for these values. In theoretical chemistry, topological indices are frequently used to simulate the physicochemical characteristics of chemical molecules. Zagreb indices are commonly employed by mathematicians to determine the strain energy, melting point, boiling temperature, distortion, and stability of a chemical compound. The purpose of this study is to look at valency-based molecular invariants for SiO4 embedded in a silicate chain under various conditions. To obtain the outcomes, the approach of atom–bond partitioning according to atom valences was applied by using the application of spectral graph theory, and we obtained different tables of atom—bond partitions of SiO4. We obtained exact values of valency-based molecular invariants, notably the first Zagreb, the second Zagreb, the hyper-Zagreb, the modified Zagreb, the enhanced Zagreb, and the redefined Zagreb (first, second, and third). We also provide a graphical depiction of the results that explains the reliance of topological indices on the specified polynomial structure parameters.
Journal Article
Some Reverse Degree-Based Topological Indices and Polynomials of Dendrimers
by
Younas, Muhammad
,
Virk, Abaid ur Rehman
,
Gao, Wei
in
Dendrimers
,
Mathematics
,
Organic chemistry
2018
Topological indices collect information from the graph of molecule and help to predict properties of the underlying molecule. Zagreb indices are among the most studied topological indices due to their applications in chemistry. In this paper, we compute first and second reverse Zagreb indices, reverse hyper-Zagreb indices and their polynomials of Prophyrin, Propyl ether imine, Zinc Porphyrin and Poly (ethylene amido amine) dendrimers.
Journal Article
Zagreb Polynomials of Three Graph Operators
2016
In general, the relations among Zagreb polynomials on three graph operators are discussed in this paper. Specifically, relations between Zagreb polynomials of a graph 𝐺 and a graph obtained by applying the operators 𝑆(𝐺), 𝑅(𝐺) and 𝑄(𝐺) are investigated. In a separate section, the relation between Zagreb polynomial of a graph 𝐺 and its corona is also described.
Journal Article
Computing Topological Indices and Polynomials for Line Graphs
by
Imran, Shahid
,
Siddiqui, Muhammad Kamran
,
Imran, Muhammad
in
Atomic properties
,
first and second Zagreb index
,
Graphs
2018
A topological index is a number related to the atomic index that allows quantitative structure–action/property/toxicity connections. All the more vital topological indices correspond to certain physico-concoction properties like breaking point, solidness, strain vitality, and so forth, of synthetic mixes. The idea of the hyper Zagreb index, multiple Zagreb indices and Zagreb polynomials was set up in the substance diagram hypothesis in light of vertex degrees. These indices are valuable in the investigation of calming exercises of certain compound systems. In this paper, we computed the first and second Zagreb index, the hyper Zagreb index, multiple Zagreb indices and Zagreb polynomials of the line graph of wheel and ladder graphs by utilizing the idea of subdivision.
Journal Article
Topological Characterization of the Crystallographic Structure of Titanium Difluoride and Copper (I) Oxide
by
Yang, Hong
,
Siddiqui, Muhammad Kamran
,
Ahmad, Sarfraz
in
Copper oxides
,
Crystal structure
,
crystallographic structure of cu2o
2019
Owing to their distinguished properties, titanium difluoride (TiF2) and the crystallographic structure of Cu2O have attracted a great deal of attention in the field of quantitative structure–property relationships (QSPRs) in recent years. A topological index of a diagram (G) is a numerical quantity identified with G which portrays the sub-atomic chart G. In 1972, Gutman and Trinajstić resented the first and second Zagreb topological files of atomic diagrams. In this paper, we determine a hyper-Zagreb list, a first multiple Zagreb file, a second different Zagreb record, and Zagreb polynomials for titanium difluoride (TiF2) and the crystallographic structure of Cu2O.
Journal Article
Some Algebraic Polynomials and Topological Indices of Generalized Prism and Toroidal Polyhex Networks
by
Munir, Mobeen
,
Kang, Shin
,
Ajmal, Muhammad
in
Chemical compounds
,
Graphs
,
Mathematical models
2017
A topological index of graph G is a numerical parameter related to G, which characterizes its topology and is preserved under isomorphism of graphs. Properties of the chemical compounds and topological indices are correlated. In this report, we compute closed forms of first Zagreb, second Zagreb, and forgotten polynomials of generalized prism and toroidal polyhex networks. We also compute hyper-Zagreb index, first multiple Zagreb index, second multiple Zagreb index, and forgotten index of these networks. Moreover we gave graphical representation of our results, showing the technical dependence of each topological index and polynomial on the involved structural parameters.
Journal Article
On the Degree-Based Topological Indices of the Tickysim SpiNNaker Model
by
Siddiqui, Muhammad Kamran
,
Ali, Usman
,
Imran, Muhammad
in
Connectivity
,
degree
,
multiple Zagreb indices
2018
Tickysim is a clock tick-based simulator for the inter-chip interconnection network of the SpiNNaker architecture. Network devices such as arbiters, routers, and packet generators store, read, and write forward data through fixed-length FIFO buffers. At each clock tick, every component executes a “read” phase followed by a “write” phase. The structures of any finite graph which represents numerical quantities are known as topological indices. In this paper, we compute degree-based topological indices of the Tickysim SpiNNaker Model ( T S M ) sheet.
Journal Article