scholarly journals The Second Hyper-Zagreb Coindex of Chemical Graphs and Some Applications

2021 ◽  
Vol 2021 ◽  
pp. 1-8
Author(s):  
Ahmed Ayache ◽  
Abdu Alameri ◽  
Mohammed Alsharafi ◽  
Hanan Ahmed
Keyword(s):  
Tensor Product ◽  
Topological Index ◽  
Molecular Graph ◽  
Cartesian Product ◽  
Explicit Formulas ◽  
Chemical Graph ◽  
Strong Product ◽  
Chemical Graphs ◽  
Product Composition ◽  
Graph Structures

The second hyper-Zagreb coindex is an efficient topological index that enables us to describe a molecule from its molecular graph. In this current study, we shall evaluate the second hyper-Zagreb coindex of some chemical graphs. In this study, we compute the value of the second hyper-Zagreb coindex of some chemical graph structures such as sildenafil, aspirin, and nicotine. We also present explicit formulas of the second hyper-Zagreb coindex of any graph that results from some interesting graphical operations such as tensor product, Cartesian product, composition, and strong product, and apply them on a q-multiwalled nanotorus.

scholarly journals The First and Second Zagreb Index of Complement Graph and Its Applications of Molecular Graph

2020 ◽  
pp. 15-30
Author(s):  
Mohammed S. Alsharafi ◽  
Mahioub M. Shubatah ◽  
Abdu Q. Alameri
Keyword(s):  
Tensor Product ◽  
Molecular Graph ◽  
Cartesian Product ◽  
Mathematical Operation ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
Second Zagreb Index ◽  
Strong Product ◽  
Complement Graph ◽  
Graph Operation

In this paper, some basic mathematical operation for the second Zagreb indices of graph containing the join and strong product of graph operation, and the rst and second Zagreb indices of complement graph operations such as cartesian product G1 G2, composition G1 G2, disjunction G1 _ G2, symmetric dierence G1 G2, join G1 + G2, tensor product G1  G2, and strong product G1 G2 will be explained. The results are applied to molecular graph of nanotorus and titania nanotubes.

scholarly journals The Second Hyper-Zagreb Index of Complement Graphs and Its Applications of Some Nano Structures

2021 ◽  
pp. 54-75
Author(s):  
Mohammed Alsharafi ◽  
Yusuf Zeren ◽  
Abdu Alameri
Keyword(s):  
Graph Theory ◽  
Cartesian Product ◽  
Quantitative Structure Activity Relationship ◽  
Quantitative Structure ◽  
Structure Property ◽  
Zagreb Index ◽  
Chemical Graph ◽  
Strong Product ◽  
Chemical Graph Theory ◽  
Mathematical Operations

In chemical graph theory, a topological descriptor is a numerical quantity that is based on the chemical structure of underlying chemical compound. Topological indices play an important role in chemical graph theory especially in the quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR). In this paper, we present explicit formulae for some basic mathematical operations for the second hyper-Zagreb index of complement graph containing the join G1 + G2, tensor product G1 \(\otimes\) G2, Cartesian product G1 x G2, composition G1 \(\circ\) G2, strong product G1 * G2, disjunction G1 V G2 and symmetric difference G1 \(\oplus\) G2. Moreover, we studied the second hyper-Zagreb index for some certain important physicochemical structures such as molecular complement graphs of V-Phenylenic Nanotube V PHX[q, p], V-Phenylenic Nanotorus V PHY [m, n] and Titania Nanotubes TiO2.

scholarly journals Computing Analysis for First Zagreb Connection Index and Coindex of Resultant Graphs

2021 ◽  
Vol 2021 ◽  
pp. 1-19 ◽  
Author(s):  
Muhammad Javaid ◽  
Usman Ali ◽  
Jia-Bao Liu
Keyword(s):  
Tensor Product ◽  
Physicochemical Properties ◽  
Electron Energy ◽  
Topological Index ◽  
Chemical Compounds ◽  
Upper Bounds ◽  
Symmetric Difference ◽  
Factor Graphs ◽  
Strong Product ◽  
Alternant Hydrocarbons

A numeric parameter which studies the behaviour, structural, toxicological, experimental, and physicochemical properties of chemical compounds under several graphs’ isomorphism is known as topological index. In 2018, Ali and Trinajstić studied the first Zagreb connection index Z C 1 to evaluate the value of a molecule. This concept was first studied by Gutman and Trinajstić in 1972 to find the solution of π -electron energy of alternant hydrocarbons. In this paper, the first Zagreb connection index and coindex are obtained in the form of exact formulae and upper bounds for the resultant graphs in terms of different indices of their factor graphs, where the resultant graphs are obtained by the product-related operations on graphs such as tensor product, strong product, symmetric difference, and disjunction. At the end, an analysis of the obtained results for the first Zagreb connection index and coindex on the aforesaid resultant graphs is interpreted with the help of numerical values and graphical depictions.

scholarly journals On Computation Degree-Based Topological Descriptors for Planar Octahedron Networks

2021 ◽  
Vol 2021 ◽  
pp. 1-12
Author(s):  
Wang Zhen ◽  
Parvez Ali ◽  
Haidar Ali ◽  
Ghulam Dustigeer ◽  
Jia-Bao Liu
Keyword(s):  
Graph Theory ◽  
Chemical Compound ◽  
Topological Index ◽  
Molecular Graph ◽  
Topological Descriptors ◽  
Zagreb Index ◽  
Chemical Graph ◽  
Symmetric Division ◽  
Chemical Graph Theory ◽  
Augmented Zagreb Index

A molecular graph is used to represent a chemical molecule in chemical graph theory, which is a branch of graph theory. A graph is considered to be linked if there is at least one link between its vertices. A topological index is a number that describes a graph’s topology. Cheminformatics is a relatively young discipline that brings together the field of sciences. Cheminformatics helps in establishing QSAR and QSPR models to find the characteristics of the chemical compound. We compute the first and second modified K-Banhatti indices, harmonic K-Banhatti index, symmetric division index, augmented Zagreb index, and inverse sum index and also provide the numerical results.

A novel graph invariant: The third leap Zagreb index under several graph operations

2019 ◽  
Vol 11 (05) ◽  
pp. 1950054 ◽  
Author(s):  
Durbar Maji ◽  
Ganesh Ghorai
Keyword(s):  
Tensor Product ◽  
Cartesian Product ◽  
Lexicographic Product ◽  
Graph Invariant ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
The Third ◽  
Graph Operations ◽  
Strong Product ◽  
Corona Product

The third leap Zagreb index of a graph [Formula: see text] is denoted as [Formula: see text] and is defined as [Formula: see text], where [Formula: see text] and [Formula: see text] are the 2-distance degree and the degree of the vertex [Formula: see text] in [Formula: see text], respectively. The first, second and third leap Zagreb indices were introduced by Naji et al. [A. M. Naji, N. D. Soner and I. Gutman, On leap Zagreb indices of graphs, Commun. Combin. Optim. 2(2) (2017) 99–117] in 2017. In this paper, the behavior of the third leap Zagreb index under several graph operations like the Cartesian product, Corona product, neighborhood Corona product, lexicographic product, strong product, tensor product, symmetric difference and disjunction of two graphs is studied.

scholarly journals The Sigma Coindex of Graph Operations

2021 ◽  
Vol 2021 ◽  
pp. 1-8
Author(s):  
Yasar Nacaroglu
Keyword(s):  
Tensor Product ◽  
Cartesian Product ◽  
Lexicographic Product ◽  
Nonadjacent Vertex ◽  
Graph Operations ◽  
Strong Product ◽  
Mathematical Properties ◽  
Corona Product

The sigma coindex is defined as the sum of the squares of the differences between the degrees of all nonadjacent vertex pairs. In this paper, we propose some mathematical properties of the sigma coindex. Later, we present precise results for the sigma coindices of various graph operations such as tensor product, Cartesian product, lexicographic product, disjunction, strong product, union, join, and corona product.

scholarly journals Computing FGZ Index of Sum Graphs under Strong Product

2021 ◽  
Vol 2021 ◽  
pp. 1-16
Author(s):  
Zhi-Ba Peng ◽  
Saira Javed ◽  
Muhammad Javaid ◽  
Jia-Bao Liu
Keyword(s):  
Structural Properties ◽  
Topological Index ◽  
Molecular Graph ◽  
Chemical Compounds ◽  
Zagreb Index ◽  
Strong Product ◽  
Product Of Graphs

Topological index (TI) is a function that assigns a numeric value to a (molecular) graph that predicts its various physical and structural properties. In this paper, we study the sum graphs (S-sum, R-sum, Q-sum and T-sum) using the subdivision related operations and strong product of graphs which create hexagonal chains isomorphic to many chemical compounds. Mainly, the exact values of first general Zagreb index (FGZI) for four sum graphs are obtained. At the end, FGZI of the two particular families of sum graphs are also computed as applications of the main results. Moreover, the dominating role of the FGZI among these sum graphs is also shown using the numerical values and their graphical presentations.

scholarly journals Sharp Bounds for the Inverse Sum Indeg Index of Graph Operations

2021 ◽  
Vol 2021 ◽  
pp. 1-11
Author(s):  
Anam Rani ◽  
Muhammad Imran ◽  
Usman Ali
Keyword(s):  
Tensor Product ◽  
Physicochemical Properties ◽  
Cartesian Product ◽  
Total Surface Area ◽  
Sharp Bounds ◽  
Graph Operations ◽  
Strong Product ◽  
Octane Isomers ◽  
International Academy ◽  
Corona Product

Vukičević and Gasperov introduced the concept of 148 discrete Adriatic indices in 2010. These indices showed good predictive properties against the testing sets of the International Academy of Mathematical Chemistry. Among these indices, twenty indices were taken as beneficial predictors of physicochemical properties. The inverse sum indeg index denoted by ISI G k of G k is a notable predictor of total surface area for octane isomers and is presented as ISI G k = ∑ g k g k ′ ∈ E G k d G k g k d G k g k ′ / d G k g k + d G k g k ′ , where d G k g k represents the degree of g k ∈ V G k . In this paper, we determine sharp bounds for ISI index of graph operations, including the Cartesian product, tensor product, strong product, composition, disjunction, symmetric difference, corona product, Indu–Bala product, union of graphs, double graph, and strong double graph.

scholarly journals Banhatti, revan and hyper-indices of silicon carbide Si2C3-III[n,m]

2021 ◽  
Vol 19 (1) ◽  
pp. 646-652
Author(s):  
Dongming Zhao ◽  
Manzoor Ahmad Zahid ◽  
Rida Irfan ◽  
Misbah Arshad ◽  
Asfand Fahad ◽  
...  
Keyword(s):  
Silicon Carbide ◽  
Graph Theory ◽  
Topological Index ◽  
Molecular Graph ◽  
Graphical Analysis ◽  
Topological Indices ◽  
Chemical Bonds ◽  
Chemical Graph ◽  
Molecular Graphs ◽  
Chemical Graph Theory

Abstract In recent years, several structure-based properties of the molecular graphs are understood through the chemical graph theory. The molecular graph G G of a molecule consists of vertices and edges, where vertices represent the atoms in a molecule and edges represent the chemical bonds between these atoms. A numerical quantity that gives information related to the topology of the molecular graphs is called a topological index. Several topological indices, contributing to chemical graph theory, have been defined and vastly studied. Recent inclusions in the class of the topological indices are the K-Banhatti indices. In this paper, we established the precise formulas for the first and second K-Banhatti, modified K-Banhatti, K-hyper Banhatti, and hyper Revan indices of silicon carbide Si 2 C 3 {{\rm{Si}}}_{2}{{\rm{C}}}_{3} - III [ n , m ] {\rm{III}}\left[n,m] . In addition, we present the graphical analysis along with the comparison of these indices for Si 2 C 3 {{\rm{Si}}}_{2}{{\rm{C}}}_{3} - III [ n , m ] {\rm{III}}\left[n,m] .

scholarly journals The forgotten index of complement graph operations and its applications of molecular graph

2020 ◽  
Vol 3 (3) ◽  
pp. 53-61
Author(s):  
Mohammed Saad Alsharafi ◽  
◽  
Mahioub Mohammed Shubatah ◽  
Abdu Qaid Alameri ◽  
◽  
...  
Keyword(s):  
Molecular Graph ◽  
Cartesian Product ◽  
Numerical Parameter ◽  
Graph Operations ◽  
Strong Product ◽  
Complement Graph ◽  
Structure Activity ◽  
Forgotten Index ◽  
Quantitative Structure Activity Relationships ◽  
Mathematical Operations

A topological index of graph \(G\) is a numerical parameter related to graph which characterizes its molecular topology and is usually graph invariant. Topological indices are widely used to determine the correlation between the specific properties of molecules and the biological activity with their configuration in the study of quantitative structure-activity relationships (QSARs). In this paper some basic mathematical operations for the forgotten index of complement graph operations such as join \(\overline {G_1+G_2}\), tensor product \(\overline {G_1 \otimes G_2}\), Cartesian product \(\overline {G_1\times G_2}\), composition \(\overline {G_1\circ G_2}\), strong product \(\overline {G_1\ast G_2}\), disjunction \(\overline {G_1\vee G_2}\) and symmetric difference \(\overline {G_1\oplus G_2}\) will be explained. The results are applied to molecular graph of nanotorus and titania nanotubes.

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