scholarly journals Revan and hyper-Revan indices of Octahedral and icosahedral networks

2018 ◽  
Vol 3 (1) ◽  
pp. 33-40 ◽  
Author(s):  
Abdul Qudair Baig ◽  
Muhammad Naeem ◽  
Wei Gao
Keyword(s):  
Graph Theory ◽  
Connected Graph ◽  
Vertex Degree ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Vertex Set

AbstractLet G be a connected graph with vertex set V(G) and edge set E(G). Recently, the Revan vertex degree concept is defined in Chemical Graph Theory. The first and second Revan indices of G are defined as R1(G) = $\begin{array}{} \displaystyle \sum\limits_{uv\in E} \end{array}$[rG(u) + rG(v)] and R2(G) = $\begin{array}{} \displaystyle \sum\limits_{uv\in E} \end{array}$[rG(u)rG(v)], where uv means that the vertex u and edge v are adjacent in G. The first and second hyper-Revan indices of G are defined as HR1(G) = $\begin{array}{} \displaystyle \sum\limits_{uv\in E} \end{array}$[rG(u) + rG(v)]2 and HR2(G) = $\begin{array}{} \displaystyle \sum\limits_{uv\in E} \end{array}$[rG(u)rG(v)]2. In this paper, we compute the first and second kind of Revan and hyper-Revan indices for the octahedral and icosahedral networks.

scholarly journals Some Vertex/Edge-Degree-Based Topological Indices of r -Apex Trees

2021 ◽  
Vol 2021 ◽  
pp. 1-8
Author(s):  
Akbar Ali ◽  
Waqas Iqbal ◽  
Zahid Raza ◽  
Ekram E. Ali ◽  
Jia-Bao Liu ◽  
...  
Keyword(s):  
Graph Theory ◽  
Connected Graph ◽  
Nonnegative Integer ◽  
Symmetric Function ◽  
Topological Indices ◽  
Vertex Degree ◽  
Graph Invariants ◽  
Arbitrary Vertex ◽  
Chemical Graph ◽  
Chemical Graph Theory

In chemical graph theory, graph invariants are usually referred to as topological indices. For a graph G , its vertex-degree-based topological indices of the form BID G = ∑ u v ∈ E G β d u , d v are known as bond incident degree indices, where E G is the edge set of G , d w denotes degree of an arbitrary vertex w of G , and β is a real-valued-symmetric function. Those BID indices for which β can be rewritten as a function of d u + d v − 2 (that is degree of the edge u v ) are known as edge-degree-based BID indices. A connected graph G is said to be r -apex tree if r is the smallest nonnegative integer for which there is a subset R of V G such that R = r and G − R is a tree. In this paper, we address the problem of determining graphs attaining the maximum or minimum value of an arbitrary BID index from the class of all r -apex trees of order n , where r and n are fixed integers satisfying the inequalities n − r ≥ 2 and r ≥ 1 .

scholarly journals Wiener and Hyper–Wiener Indices of Unitary Addition Cayley Graphs

2019 ◽  
Vol 8 (2S3) ◽  
pp. 131-132
Keyword(s):  
Graph Theory ◽  
Cayley Graph ◽  
Topological Index ◽  
Cayley Graphs ◽  
Wiener Index ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Shortest Distance ◽  
Vertex Set

A topological index is a number associated to a graph. In chemical graph theory the Wiener index of a graph G, denoted by W(G) is the sum of the distance between all (unordered) pairs of vertices of G. That is, W(G) = ,where d (ui , uj) is the shortest distance between the vertices. ui and uj .The Hyper-Wiener Index WW(G) is the generalization of the Wiener index. The Hyper- Wiener Index of a graph G is, WW (G) = .The unitary addition Cayley graph Gn has a vertex set Zn = {0, 1,…, n-1} and the vertices u and v are adjacent if gcd (u+v,n) =1. In this paper Wiener index and Hyper Wiener indices of Unitary addition Cayley graph Gn is computed

-BANHATTI, HYPER -BANHATTI INDICES AND THEIR POLYNOMIALS OF CERTAIN NETWORKS

2021 ◽  
Vol 10 (3) ◽  
pp. 1-8
Keyword(s):  
Graph Theory ◽  
Molecular Graph ◽  
Vertex Degree ◽  
Chemical Graph ◽  
Chemical Graph Theory

Recently, the -vertex degree concept was defined in Chemical Graph Theory. In this paper, we propose the first and second -Banhatti indices, first and second hyper -Banhatti indices and their corresponding polynomials of a molecular graph and compute exact formulas for silicate networks and hexagonal networks.

scholarly journals M-polynomial and topological indices of zigzag edge coronoid fused by starphene

2020 ◽  
Vol 18 (1) ◽  
pp. 1362-1369
Author(s):  
Farkhanda Afzal ◽  
Sabir Hussain ◽  
Deeba Afzal ◽  
Saira Hameed
Keyword(s):  
Graph Theory ◽  
Chemical Properties ◽  
Topological Indices ◽  
Zigzag Edge ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Chemical Graphs

AbstractChemical graph theory is a subfield of graph theory that studies the topological indices for chemical graphs that have a good correlation with chemical properties of a chemical molecule. In this study, we have computed M-polynomial of zigzag edge coronoid fused by starphene. We also investigate various topological indices related to this graph by using their M-polynomial.

scholarly journals Computing Topological Indices for Para-Line Graphs of Anthracene

2019 ◽  
Vol 17 (1) ◽  
pp. 955-962 ◽  
Author(s):  
Zhiqiang Zhang ◽  
Zeshan Saleem Mufti ◽  
Muhammad Faisal Nadeem ◽  
Zaheer Ahmad ◽  
Muhammad Kamran Siddiqui ◽  
...  
Keyword(s):  
Graph Theory ◽  
Chemical Compound ◽  
Line Graph ◽  
Molecular Graph ◽  
Chemical Properties ◽  
Molar Refraction ◽  
Chromatographic Behavior ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
And Mathematics

AbstractAtoms displayed as vertices and bonds can be shown by edges on a molecular graph. For such graphs we can find the indices showing their bioactivity as well as their physio-chemical properties such as the molar refraction, molar volume, chromatographic behavior, heat of atomization, heat of vaporization, magnetic susceptibility, and the partition coefficient. Today, industry is flourishing because of the interdisciplinary study of different disciplines. This provides a way to understand the application of different disciplines. Chemical graph theory is a mixture of chemistry and mathematics, which plays an important role in chemical graph theory. Chemistry provides a chemical compound, and graph theory transforms this chemical compound into a molecular graphwhich further is studied by different aspects such as topological indices.We will investigate some indices of the line graph of the subdivided graph (para-line graph) of linear-[s] Anthracene and multiple Anthracene.

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.

Graph Applications in Chemoinformatics and Structural Bioinformatics

2011 ◽  
pp. 386-420
Author(s):  
Eleanor Joyce Gardiner
Keyword(s):  
Graph Theory ◽  
Molecular Graph ◽  
Structural Bioinformatics ◽  
Three Dimensions ◽  
Chemical Graph ◽  
Labeled Graph ◽  
3D Space ◽  
Chemical Graph Theory ◽  
Computer Representation ◽  
History Of

The focus of this chapter will be the uses of graph theory in chemoinformatics and in structural bioinformatics. There is a long history of chemical graph theory dating back to the 1860’s and Kekule’s structural theory. It is natural to regard the atoms of a molecule as nodes and the bonds as edges (2D representations) of a labeled graph (a molecular graph). This chapter will concentrate on the algorithms developed to exploit the computer representation of such graphs and their extensions in both two and three dimensions (where an edge represents the distance in 3D space between a pair of atoms), together with the algorithms developed to exploit them. The algorithms will generally be summarized rather than detailed. The methods were later extended to larger macromolecules (such as proteins); these will be covered in less detail.

Chemical Graph Theory

2008 ◽  
Author(s):  
Kimberly Jordan Burch
Keyword(s):  
Graph Theory ◽  
Chemical Graph ◽  
Chemical Graph Theory
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