A Novel Weighted First Zagreb Index of Graph

2020 ◽  
pp. 92-103
Author(s):  
Jibonjyoti Buragohain ◽  
A. Bharali
Keyword(s):  
Connected Graph ◽  
Chemical Properties ◽  
Topological Indices ◽  
First Zagreb Index ◽  
Acentric Factor ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
Physico Chemical ◽  
Octane Isomers ◽  
The First Zagreb Index

The Zagreb indices are the oldest among all degree-based topological indices. For a connected graph G, the first Zagreb index M1(G) is the sum of the term dG(u)+dG(v) corresponding to each edge uv in G, that is, M1 , where dG(u) is degree of the vertex u in G. In this chapter, the authors propose a weighted first Zagreb index and calculate its values for some standard graphs. Also, the authors study its correlations with various physico-chemical properties of octane isomers. It is found that this novel index has strong correlation with acentric factor and entropy of octane isomers as compared to other existing topological indices.

scholarly journals Zagreb Connection Indices of Two Dendrimer Nanostars

2019 ◽  
Vol 27 (1) ◽  
pp. 1-14 ◽  
Author(s):  
Nisar Fatima ◽  
Akhlaq Ahmad Bhatti ◽  
Akbar Ali ◽  
Wei Gao
Keyword(s):  
Molecular Structure ◽  
Physicochemical Properties ◽  
Chemical Compounds ◽  
Topological Indices ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
Mathematical Chemistry ◽  
Octane Isomers ◽  
The First Zagreb Index

Abstract It is well known fact that several physicochemical properties of chemical compounds are closely related to their molecular structure. Mathematical chemistry provides a method to predict the aforementioned properties of compounds using topological indices. The Zagreb indices are among the most studied topological indices. Recently, three modified versions of the Zagreb indices were proposed independently in [Ali, A.; Trinajstić, N. A novel/old modification of the first Zagreb index, arXiv:1705.10430 [math.CO] 2017; Mol. Inform. 2018, 37, 1800008] and [Naji, A. M.; Soner, N. D.; Gutman, I. On leap Zagreb indices of graphs, Commun. Comb. Optim. 2017, 2, 99–117], which were named as the Zagreb connection indices and the leap Zagreb indices, respectively. In this paper, we check the chemical applicability of the newly considered Zagreb connection indices on the set of octane isomers and establish general expressions for calculating these indices of two well-known dendrimer nanostars.

scholarly journals First and Second Zagreb Polynomials of VC5C7[p,q] and HC5C7[p,q]Nanotubes

2014 ◽  
Vol 31 ◽  
pp. 56-62 ◽  
Author(s):  
Mohammad Reza Farahani
Keyword(s):  
Graph Theory ◽  
Connected Graph ◽  
Topological Indices ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
Second Zagreb Index ◽  
Connectivity Indices ◽  
Anti Inflammatory ◽  
Simple Connected Graph

Let G = (V,E) be a simple connected graph. The sets of vertices and edges of G are denoted by V = V(G) and E = E(G), respectively. There exist many topological indices and connectivity indices in graph theory. The First and Second Zagreb indices were first introduced by Gutman and Trinajstić In1972. It is reported that these indices are useful in the study of anti-inflammatory activities of certain chemical instances, and in elsewhere. In this paper, we focus on the structure of ”G = VC5C7[p,q]”and ”H = HC5C7[p,q]” nanotubes and counting first Zagreb index Zg1(G) = ∑veVdv2 and Second Zagreb index Zg2(G) =∑e=uveE(G)(du·dv) of G and H, as well as First Zagreb polynomial Zg1(G,x ) =∑e=uveE(G)xdu+dv and Second Zagreb Polynomial Zg2(G,x) = ∑e=uveE(G)xdu·dv

scholarly journals Zagreb Connection Indices of Some Nanostructures

2018 ◽  
Vol 26 (2) ◽  
pp. 169-180 ◽  
Author(s):  
Saba Manzoor ◽  
Nisar Fatima ◽  
Akhlaq Ahmad Bhatti ◽  
Akbar Ali
Keyword(s):  
Electron Energy ◽  
Approximate Formula ◽  
Topological Indices ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
Second Zagreb Index ◽  
The First Zagreb Index ◽  
Molecular Branching

Abstract The first Zagreb index (occurred in an approximate formula of total π-electron energy, communicated in 1972) and the second Zagreb index (appeared in 1975, within the study of molecular branching) are among the most studied topological indices. Recently, three modified versions of the Zagreb indices were proposed independently in [A. Ali, N. Trinajstić, A novel/old modification of the first Zagreb index, arXiv:1705.10430 [math.CO], 2017] and [A. M. Naji, N. D. Soner, I. Gutman, On leap Zagreb indices of graphs, Commun. Comb. Optim., 2017, 2, 99–117], which were named as the Zagreb connection indices and the leap Zagreb indices, respectively. In this paper, we derive formulas for calculating these modified versions of the Zagreb indices of four well known nanostructures.

Topological characterization of dendrimer, benzenoid, and nanocone

2018 ◽  
Vol 74 (1-2) ◽  
pp. 35-43
Author(s):  
Wei Gao ◽  
Muhammad Kamran Siddiqui ◽  
Najma Abdul Rehman ◽  
Mehwish Hussain Muhammad
Keyword(s):  
Chemical Properties ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Zagreb Index ◽  
Topological Characterization ◽  
Complex Molecules ◽  
Chemical Structures ◽  
Physico Chemical ◽  
Quantitative Structure Activity Relationships

Abstract Dendrimers are large and complex molecules with very well defined chemical structures. More importantly, dendrimers are highly branched organic macromolecules with successive layers or generations of branch units surrounding a central core. Topological indices are numbers associated with molecular graphs for the purpose of allowing quantitative structure-activity relationships. These topological indices correlate certain physico-chemical properties such as the boiling point, stability, strain energy, and others, of chemical compounds. In this article, we determine hyper-Zagreb index, first multiple Zagreb index, second multiple Zagreb index, and Zagreb polynomials for hetrofunctional dendrimers, triangular benzenoids, and nanocones.

scholarly journals On the Multiplicative Degree-Based Topological Indices of Silicon-Carbon Si2C3-I[p,q] and Si2C3-II[p,q]

Symmetry ◽  
2018 ◽  
Vol 10 (8) ◽  
pp. 320 ◽  
Author(s):  
Young Kwun ◽  
Abaid Virk ◽  
Waqas Nazeer ◽  
M. Rehman ◽  
Shin Kang
Keyword(s):  
Molecular Structure ◽  
Graph Theory ◽  
Molecular Graph ◽  
Chemical Properties ◽  
Topological Indices ◽  
Molecular Compound ◽  
Zagreb Indices ◽  
Silicon Carbon ◽  
Physico Chemical ◽  
Structure Research

The application of graph theory in chemical and molecular structure research has far exceeded people’s expectations, and it has recently grown exponentially. In the molecular graph, atoms are represented by vertices and bonds by edges. Topological indices help us to predict many physico-chemical properties of the concerned molecular compound. In this article, we compute Generalized first and multiplicative Zagreb indices, the multiplicative version of the atomic bond connectivity index, and the Generalized multiplicative Geometric Arithmetic index for silicon-carbon Si2C3−I[p,q] and Si2C3−II[p,q] second.

scholarly journals Zagreb Polynomials and redefined Zagreb indices of nanostar dendrimers

Open Physics ◽  
2019 ◽  
Vol 17 (1) ◽  
pp. 31-40 ◽  
Author(s):  
Shin Min Kang ◽  
Muhammad Yousaf ◽  
Manzoor Ahmad Zahid ◽  
Muhammad Younas ◽  
Waqas Nazeer
Keyword(s):  
Boiling Point ◽  
Strain Energy ◽  
Chemical Properties ◽  
Topological Indices ◽  
Central Core ◽  
Zagreb Indices ◽  
Physico Chemical

Abstract Dendrimers are profoundly extended natural macromolecules with successive layers of branch units encompassing a central core. Topological indicess are numbers related with graph of a compound to allow quantitative structureactivity/property/lethality connections. These topological indices relate certain physico-chemical properties like stability, boiling point, strain energy and so forth of a compound. In this report, there have been computed redefined first, second and third Zagreb indices of Nanostar dendrimers. The authors also analyzed some Zagreb polynomials of understudy dendrimers.

scholarly journals Hyper Zagreb indices of composite graphs

2016 ◽  
Vol 4 (2) ◽  
pp. 47 ◽  
Author(s):  
Sharmila Devi ◽  
V. Kaladevi
Keyword(s):  
Molecular Graph ◽  
Sum Of Squares ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
Second Zagreb Index ◽  
The First Zagreb Index ◽  
Thorn Graph

For a (molecular) graph, the first Zagreb index M1 is equal to the sum of squares of the degrees of vertices, and the second Zagreb index M2 is equal to the sum of the products of the degrees of pairs of adjacent vertices. Similarly, the hyper Zagreb index is defined as the sum of square of degree of vertices over all the edges.  In this paper, First we obtain the hyper Zagreb indices of some derived graphs and the generalized transformations graphs. Finally, the hyper Zagreb indices of double, extended double, thorn graph, subdivision vertex corona of graphs, Splice and link graphs are obtained.

Degree-based topological indices of double graphs and strong double graphs

2017 ◽  
Vol 09 (05) ◽  
pp. 1750066 ◽  
Author(s):  
Muhammad Imran ◽  
Shehnaz Akhter
Keyword(s):  
Graph Theory ◽  
Physicochemical Properties ◽  
Boiling Point ◽  
Strain Energy ◽  
Chemical Compounds ◽  
Topological Indices ◽  
First Zagreb Index ◽  
Original Graph ◽  
Zagreb Index ◽  
Zagreb Indices

The topological indices are useful tools to the theoretical chemists that are provided by the graph theory. They correlate certain physicochemical properties such as boiling point, strain energy, stability, etc. of chemical compounds. For a graph [Formula: see text], the double graph [Formula: see text] is a graph obtained by taking two copies of graph [Formula: see text] and joining each vertex in one copy with the neighbors of corresponding vertex in another copy and strong double graph SD[Formula: see text] of the graph [Formula: see text] is the graph obtained by taking two copies of the graph [Formula: see text] and joining each vertex [Formula: see text] in one copy with the closed neighborhood of the corresponding vertex in another copy. In this paper, we compute the general sum-connectivity index, general Randi[Formula: see text] index, geometric–arithmetic index, general first Zagreb index, first and second multiplicative Zagreb indices for double graphs and strong double graphs and derive the exact expressions for these degree-base topological indices for double graphs and strong double graphs in terms of corresponding index of original graph [Formula: see text].

scholarly journals Topological Indices of Some New Graph Operations and Their Possible Applications

2021 ◽  
pp. 16-30
Author(s):  
Abdu Qaid Saif Alameri ◽  
Mohammed Saad Yahya Al-Sharafi
Keyword(s):  
Graph Theory ◽  
Chemical Compounds ◽  
Topological Indices ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Structural Invariant ◽  
Graph Operations ◽  
Chemical Graph Theory ◽  
Cyclic Alkanes ◽  
The First Zagreb Index

A chemical graph theory is a fascinating branch of graph theory which has many applications related to chemistry. A topological index is a real number related to a graph, as its considered a structural invariant. It’s found that there is a strong correlation between the properties of chemical compounds and their topological indices. In this paper, we introduce some new graph operations for the first Zagreb index, second Zagreb index and forgotten index "F-index". Furthermore, it was found some possible applications on some new graph operations such as roperties of molecular graphs that resulted by alkanes or cyclic alkanes.

scholarly journals Relations between ordinary and multiplicative degree-based topological indices

Filomat ◽  
2018 ◽  
Vol 32 (8) ◽  
pp. 3031-3042 ◽  
Author(s):  
Ivan Gutman ◽  
Igor Milovanovic ◽  
Emina Milovanovic
Keyword(s):  
Lower Bounds ◽  
Connected Graph ◽  
Topological Indices ◽  
Upper And Lower Bounds ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Vertex Degrees ◽  
Simple Connected Graph

Let G be a simple connected graph with n vertices and m edges, and sequence of vertex degrees d1 ? d2 ?...? dn > 0. If vertices i and j are adjacent, we write i ~ j. Denote by ?1, ?*1, Q? and H? the multiplicative Zagreb index, multiplicative sum Zagreb index, general first Zagreb index, and general sumconnectivity index, respectively. These indices are defined as ?1 = ?ni=1 d2i, ?*1 = ?i~j(di+dj), Q? = ?n,i=1 d?i and H? = ?i~j(di+dj)?. We establish upper and lower bounds for the differences H?-m (?1*)?/m and Q?-n(?1)?/2n . In this way we generalize a number of results that were earlier reported in the literature.

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