Topological Indices of mth Chain Silicate Graphs (original) (raw)
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On Computation of New Degree-Based Topological Indices of Silicate Chain Graph
Global Journal of Applied Engineering Mathematics
The Arithmetic-Geometric index (AG1 index), SK index, SK1 index, SK2 indices of a graph G was introduced by V. S. Shigehalli and R. R. Kanabur. These topological indices explain the modeling of various physico-chemical, biological and pharmacological properties of organic molecules in chemistry and explains studies of various results on Silicate Chain Graph.
Topological indices of rhombus type silicate and oxide networks
Canadian Journal of Chemistry, 2017
For a molecular graph, a numeric quantity that characterizes the whole structure of a graph is called a topological index. In the studies of quantitative structure – activity relationship (QSAR) and quantitative structure – property relationship (QSPR), topological indices are utilized to guess the bioactivity of chemical compounds. In this paper, we compute general Randić, first general Zagreb, generalized Zagreb, multiplicative Zagreb, atom-bond connectivity (ABC), and geometric arithmetic (GA) indices for the rhombus silicate and rhombus oxide networks. In addition, we also compute the latest developed topological indices such as the fourth version of ABC (ABC4), the fifth version of GA (GA5), augmented Zagreb, and Sanskruti indices for the foresaid networks. At the end, a comparison between all the indices is included, and the result is shown with the help of a Cartesian coordinate system.
On the Invariant of New Degree-Based Topological Indices of Silicate Chain Graph
Advances in Mathematical Sciences
Throughout this paper simple and undirected graphs are considered. Let G = (V,E) be such a graph. The structure of a chemical compound can be represented by a graph whose vertex and edge specify the atom and bonds respectively. In this paper we compute certain topological indices of silicate chain.
On certain topological indices of silicate, honeycomb and hexagonal networks
In the QSAR /QSPR study, physicochemical properties and topological indices such as Randić, Zagreb, and ABC index are used to predict bioactivity of the chemical compounds. Graph theory has found considerable use in Chemistry, particularly in modeling chemical structures. Topological indices are designed basically by transforming a molecular graph into a number. In this paper we calculate the Randić, Zagreb, and ABC index of Silicate, honeycomb and hexagonal networks.
On topological aspects of silicate network using M- polynomial
Journal of Discrete Mathematical Sciences and Cryptography, 2021
M-polynomial is introduced as a graph polynomial to re-cover closed formulas of degree based topological indices by using some suitable operators. These topological indices have a predicting ability about the properties of organic molecules. Silicate network (phyllosilicates) belonging to an important group of minerals that includes talc, micas, serpentine, clay, and chlorite minerals. These minerals have much importance in the chemical industry. The aim of this paper is to explore the silicate network through M-polynomial and some degree-based topological indices. Results are also elaborated by plotting with graphs
On Topological Indices of Poly Oxide, Poly Silicate, DOX and DSL Networks
Canadian Journal of Chemistry, 2015
Topological indices are numerical parameters of a graph that characterize its topology and are usually graph invariant. In a QSAR/QSPR study, physicochemical properties and topological indices such as Randić, atom–bond connectivity (ABC), and geometric–arithmetic (GA) indices are used to predict the bioactivity of chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study different interconnection networks and derive analytical closed results of the general Randić index (Rα(G)) for α = 1, [Formula: see text], –1, [Formula: see text] only, for dominating oxide network (DOX), dominating silicate network (DSL), and regular triangulene oxide network (RTOX). All of the studied interconnection networks in this paper are motivated by the molecular structure of a chemical compound, SiO4. We also compute the general first Zagreb, ABC, GA, ABC4, and GA5 indices and give closed formulae of these indices for these interconnection networks.
On Degree-Based Topological Indices of Symmetric Chemical Structures
Symmetry
A Topological index also known as connectivity index is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound. Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. In QSAR/QSPR study, physico-chemical properties and topological indices such as Randi c ´ , atom-bond connectivity (ABC) and geometric-arithmetic (GA) index are used to predict the bioactivity of chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study HDCN1(m,n) and HDCN2(m,n) of dimension m , n and derive analytical closed results of general Randi c ´ index R α ( G ) for different values of α . We also compute the general first Zagreb, ABC, GA, A B C 4 and G A 5 indices for these Hex derived cage networks for the first time and give closed formulas of these degree-based indices.
Role of Multiplicative Degree Based Topological Invariants in Chemical Graphs
A chemical graph is a mathematical representation of a chemical compound in which atoms and bonds are represented by nodes and lines respectively. Chemists have developed a number of useful tools from graph theory, such as topological index (TI) is structural descriptor or connectivity index used to express molecular size, branching, heat of formation, boiling points, strain energy, toughness and acyclicity. The Topological index is beneficial to establish an association between arrangement and chemical properties of chemical compounds without performing any testing. It is characterized into various categories like degree, distance, spectrum and eccentricity based. This paper consists of computation of multiplicative degree based topological indices namely multiplicative Zagreb indices, multiplicative atom bond connectivity index and generalized multiplicative geometric arithmetic index for SiC_3-I[j, k] and SiC_3-II[j, k].
Molecules
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 com...