scholarly journals On Generalized Topological Indices of Silicon-Carbon

2020 ◽  
Vol 2020 ◽  
pp. 1-21 ◽  
Author(s):  
Xing-Long Wang ◽  
Jia-Bao Liu ◽  
Akbar Jahanbani ◽  
Muhammad Kamran Siddiqui ◽  
Nader Jafari Rad ◽  
...  
Keyword(s):  
Topological Indices ◽  
Zagreb Index ◽  
Silicon Carbon

Let Gbe a graph with n vertices and Γu be the degree of its u-th vertex (Γx is the degree of u). In this article, we compute the generalization of Zagreb index, the generalized Zagreb index, the first and second hyper F-indices, the sum connectivity F-index, and the product connectivity F-index graphs of Si2C3−Ip,q, Si2C3−IIp,q, Si2C3−IIIp,q, and SiC3−IIIp,q.

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 Polynomials and General Degree-Based Topological Indices of Generalized Sierpinski Networks

Complexity ◽  
2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Chengmei Fan ◽  
M. Mobeen Munir ◽  
Zafar Hussain ◽  
Muhammad Athar ◽  
Jia-Bao Liu
Keyword(s):  
Complex Systems ◽  
Computer Science ◽  
Topological Indices ◽  
Fractal Nature ◽  
Similar Nature ◽  
Zagreb Index ◽  
Recursive Sequences ◽  
And Mathematics

Sierpinski networks are networks of fractal nature having several applications in computer science, music, chemistry, and mathematics. These networks are commonly used in chaos, fractals, recursive sequences, and complex systems. In this article, we compute various connectivity polynomials such as M -polynomial, Zagreb polynomials, and forgotten polynomial of generalized Sierpinski networks S k n and recover some well-known degree-based topological indices from these. We also compute the most general Zagreb index known as α , β -Zagreb index and several other general indices of similar nature for this network. Our results are the natural generalizations of already available results for particular classes of such type of networks.

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

2018 ◽  
Author(s):  
Young Chel Kwun ◽  
Abaid ur Rehman Virk ◽  
Waqas Nazeer ◽  
Shin Min Kang
Keyword(s):  
Molecular Structure ◽  
Graph Theory ◽  
Molecular Graph ◽  
Chemical Properties ◽  
Topological Indices ◽  
Molecular Compound ◽  
Silicon Carbon ◽  
Physico Chemical ◽  
Structure Research

The application of graph theory in chemical and molecular structure research far exceeds people's expectations, and it has recently grown exponentially. In the molecular graph, atoms are represented by vertices and bonded by edges. Closed forms of multiplicative degree-based topological indices which are numerical parameters of the structure and determine physico-chemical properties of the concerned molecular compound. In this article, we compute and analyze many multiplicative degree-based topological indices of silicon-carbon Si2C3-I[p,q] and Si2C3-II[p,q].

scholarly journals Vertex-Based Topological Indices of Double and Strong Double Graph of Dutch Windmill Graph

2021 ◽  
Vol 2021 ◽  
pp. 1-12
Author(s):  
Muhammad Asad Ali ◽  
Muhammad Shoaib Sardar ◽  
Imran Siddique ◽  
Dalal Alrowaili
Keyword(s):  
Graph Theory ◽  
Chemical Properties ◽  
Topological Indices ◽  
Connectivity Index ◽  
Vaporization Enthalpy ◽  
Zagreb Index ◽  
Graph Operations ◽  
Big Graphs ◽  
Physical And Chemical ◽  
Atom Bond

A measurement of the molecular topology of graphs is known as a topological index, and several physical and chemical properties such as heat formation, boiling point, vaporization, enthalpy, and entropy are used to characterize them. Graph theory is useful in evaluating the relationship between various topological indices of some graphs derived by applying certain graph operations. Graph operations play an important role in many applications of graph theory because many big graphs can be obtained from small graphs. Here, we discuss two graph operations, i.e., double graph and strong double graph. In this article, we will compute the topological indices such as geometric arithmetic index GA , atom bond connectivity index ABC , forgotten index F , inverse sum indeg index ISI , general inverse sum indeg index ISI α , β , first multiplicative-Zagreb index PM 1   and second multiplicative-Zagreb index PM 2 , fifth geometric arithmetic index GA 5 , fourth atom bond connectivity index ABC 4 of double graph, and strong double graph of Dutch Windmill graph D 3 p .

scholarly journals The QSPR Study of Butane derivatives: (A Mathematical Approach)

2018 ◽  
Vol 34 (4) ◽  
pp. 1842-1846
Author(s):  
Anjusha Asok ◽  
Joseph Varghese Kureethara
Keyword(s):  
Close Correlation ◽  
Topological Indices ◽  
First Zagreb Index ◽  
Qspr Model ◽  
Zagreb Index ◽  
Hydrogen Bond Acceptor ◽  
Physiochemical Properties ◽  
Qspr Study ◽  
Structural Insight ◽  
Insight Into

The QSPR analysis provides a significant structural insight into the physiochemical properties of Butane derivatives. We study some physiochemical properties of fourteen Butane derivatives and develop a QSPR model using four topological indices and Butane derivatives. Here we analyze how closely the topological indices are related to the physiochemical properties of Butane derivatives. For this we compute analytically the topological indices of Butane derivatives and plot the graphs between each of these topological indices to the properties of Butane derivatives using Origin. This QSPR model exhibits a close correlation between Heavy atomic count, Complexity, Hydrogen bond acceptor count, and Surface tension of Butane derivatives with the Redefined first Zagreb index, the Redefined third Zagreb index, the Sum connectivity index and the Reformulated first Zagreb index, respectively.

scholarly journals Topological properties of Graphene using some novel neighborhood degree-based topological indices

2019 ◽  
Vol 11 (01) ◽  
pp. 1950006 ◽  
Author(s):  
Sourav Mondal ◽  
Nilanjan De ◽  
Anita Pal
Keyword(s):  
Real Number ◽  
Chemical Structure ◽  
Topological Index ◽  
Line Graph ◽  
Topological Indices ◽  
Index Formula ◽  
Topological Properties ◽  
Zagreb Index ◽  
Physiochemical Properties ◽  
Second Zagreb Index

Topological indices are numeric quantities that transform chemical structure to real number. Topological indices are used in QSAR/QSPR studies to correlate the bioactivity and physiochemical properties of molecule. In this paper, some newly designed neighborhood degree-based topological indices named as neighborhood Zagreb index ([Formula: see text]), neighborhood version of Forgotten topological index ([Formula: see text]), modified neighborhood version of Forgotten topological index ([Formula: see text]), neighborhood version of second Zagreb index ([Formula: see text]) and neighborhood version of hyper Zagreb index ([Formula: see text]) are obtained for Graphene and line graph of Graphene using subdivision idea. In addition, these indices are compared graphically with respect to their response for Graphene and line graph of subdivision of Graphene.

scholarly journals On Some New Neighborhood Degree-Based Indices for Some Oxide and Silicate Networks

J ◽  
2019 ◽  
Vol 2 (3) ◽  
pp. 384-409
Author(s):  
Sourav Mondal ◽  
Nilanjan De ◽  
Anita Pal
Keyword(s):  
Molecular Structure ◽  
Network Theory ◽  
Topological Index ◽  
Applied Mathematics ◽  
Reaction Network ◽  
Topological Indices ◽  
Zagreb Index ◽  
Second Zagreb Index ◽  
Real World Problems ◽  
Chemical Reaction Network Theory

Topological indices are numeric quantities that describes the topology of molecular structure in mathematical chemistry. An important area of applied mathematics is the chemical reaction network theory. Real-world problems can be modeled using this theory. Due to its worldwide applications, chemical networks have attracted researchers since their foundation. In this report, some silicate and oxide networks are studied, and exact expressions of some newly-developed neighborhood degree-based topological indices named as the neighborhood Zagreb index ( M N ), the neighborhood version of the forgotten topological index ( F N ), the modified neighborhood version of the forgotten topological index ( F N ∗ ), the neighborhood version of the second Zagreb index ( M 2 ∗ ), and neighborhood version of the hyper Zagreb index ( H M N ) are obtained for the aforementioned networks. In addition, a comparison among all the indices is shown graphically.

scholarly journals On the Zagreb Index of Random Recursive Trees

2011 ◽  
Vol 48 (04) ◽  
pp. 1189-1196 ◽  
Author(s):  
Qunqiang Feng ◽  
Zhishui Hu
Keyword(s):  
Central Limit Theorem ◽  
Limit Theorem ◽  
Asymptotic Normality ◽  
Random Process ◽  
Central Limit ◽  
Topological Indices ◽  
Zagreb Index ◽  
Martingale Central Limit Theorem ◽  
Recursive Tree ◽  
Recursive Trees

We investigate the Zagreb index, one of the topological indices, of random recursive trees in this paper. Through a recurrence equation, the first two moments ofZn, the Zagreb index of a random recursive tree of sizen, are obtained. We also show that the random process {Zn− E[Zn],n≥ 1} is a martingale. Then the asymptotic normality of the Zagreb index of a random recursive tree is given by an application of the martingale central limit theorem. Finally, two other topological indices are also discussed in passing.

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