scholarly journals Topological Characterizations and Index-Analysis of New Degree-Based Descriptors of Honeycomb Networks

Symmetry ◽  
2018 ◽  
Vol 10 (10) ◽  
pp. 478 ◽  
Author(s):  
Zafar Hussain ◽  
Mobeen Munir ◽  
Shazia Rafique ◽  
Shin Min Kang
Keyword(s):  
Line Graph ◽  
Chemical Properties ◽  
Topological Indices ◽  
Molecular Structures ◽  
Theoretic Analysis ◽  
Zagreb Index ◽  
Graph Theoretic ◽  
Index Analysis ◽  
First Time ◽  
Honeycomb Network

Topological indices and connectivity polynomials are invariants of molecular graphs. These invariants have the tendency of predicting the properties of the molecular structures. The honeycomb network structure is an important type of benzene network. In the present article, new topological characterizations of honeycomb networks are given in the form of degree-based descriptors. In particular, we compute Zagreb and Forgotten polynomials and some topological indices such as the hyper-Zagreb index, first and second multiple Zagreb indices and the Forgotten index, F. We, for the first time, determine some regularity indices such as the Albert index, Bell index and I R M ( G ) index, as well as the F-index of the complement of the honeycomb network and several co-indices related to this network without considering the graph of its complement or even the line graph. These indices are useful for correlating the physio-chemical properties of the honeycomb network. We also give a graph theoretic analysis of some indices against the dimension of this network.

scholarly journals Topological study of the para-line graphs of certain pentacene via topological indices

2018 ◽  
Vol 16 (1) ◽  
pp. 1200-1206 ◽  
Author(s):  
Zeeshan Saleem Mufti ◽  
Muhammad Faisal Nadeem ◽  
Wei Gao ◽  
Zaheer Ahmad
Keyword(s):  
Molecular Structure ◽  
Real Number ◽  
Chemical Structure ◽  
Topological Index ◽  
Line Graph ◽  
Chemical Properties ◽  
Topological Indices ◽  
Molecular Structures ◽  
Line Graphs ◽  
Graph Invariant

AbstractA topological index is a map from molecular structure to a real number. It is a graph invariant and also used to describe the physio-chemical properties of the molecular structures of certain compounds. In this paper, we have investigated a chemical structure of pentacene. Our paper reflects the work on the following indices:Rα, Mα, χα, ABC, GA, ABC4, GA5, PM1, PM2, M1(G, p)and M1(G, p) of the para-line graph of linear [n]-pentacene and multiple pentacene.

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 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 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 Certain topological indices and polynomials for the semitotal-point graph and line graph of semitotal-point graph for Dutch windmill graph

2020 ◽  
Vol 3 (2) ◽  
pp. 63
Author(s):  
Salma Kanwal ◽  
Mariam Imtiaz ◽  
Ayesha Manzoor ◽  
Nazeeran Idrees ◽  
Ammara Afzal
Keyword(s):  
Line Graph ◽  
Topological Indices ◽  
Point Graph ◽  
Zagreb Index ◽  
Harmonic Index ◽  
Zagreb Indices ◽  
Symmetric Division ◽  
Augmented Zagreb Index ◽  
Forgotten Index

<p>Dutch windmill graph [1, 2] and denoted by <em>Dnm</em>. Order and size of Dutch windmill graph are (<em>n</em>−1)<em>m</em>+1 and mn respectively. In this paper, we computed certain topological indices and polynomials i.e. Zagreb polynomials, hyper Zagreb, Redefined Zagreb indices, modified first Zagreb, Reduced second Zagreb, Reduced Reciprocal Randi´c, 1st Gourava index, 2nd Gourava index, 1st hyper Gourava index, 2nd hyper Gourava index, Product connectivity Gourava index, Sum connectivity Gourava index, Forgotten index, Forgotten polynomials, <em>M</em>-polynomials and some topological indices in term of the <em>M</em>-polynomials i.e. 1st Zagreb index, 2nd Zagreb index, Modified 2nd Zagreb, Randi´c index, Reciprocal Randi´c index, Symmetric division, Harmonic index, Inverse Sum index, Augmented Zagreb index for the semitotal-point graph and line graph of semitotal-point graph for Dutch windmill graph.</p>

scholarly journals Computing Analysis of Zagreb Indices for Generalized Sum Graphs under Strong Product

2021 ◽  
Vol 2021 ◽  
pp. 1-20
Author(s):  
Muhammad Javaid ◽  
Saira Javed ◽  
Abdulaziz Mohammed Alanazi ◽  
Majdah R. Alotaibi
Keyword(s):  
Chemical Engineering ◽  
Chemical Properties ◽  
Chemical Compounds ◽  
Vital Role ◽  
Molecular Structures ◽  
Zagreb Indices ◽  
Graph Theoretic ◽  
Strong Product ◽  
Physicochemical And Structural Properties ◽  
Product Of Graphs

Numerous studies based on mathematical models and tools indicate that there is a strong inherent relationship between the chemical properties of the chemical compounds and drugs with their molecular structures. In the last two decades, the graph-theoretic techniques are frequently used to analyse the various physicochemical and structural properties of the molecular graphs which play a vital role in chemical engineering and pharmaceutical industry. In this paper, we compute Zagreb indices of the generalized sum graphs in the form of the different indices of their factor graphs, where generalized sum graphs are obtained under the operations of subdivision and strong product of graphs. Moreover, the obtained results are illustrated with the help of particular classes of graphs and analysed to find the efficient subclass with dominant indices.

scholarly journals Computing Some Degree-Based Topological Indices of Honeycomb Networks

Complexity ◽  
2022 ◽  
Vol 2022 ◽  
pp. 1-13
Author(s):  
Lili Gu ◽  
Shamaila Yousaf ◽  
Akhlaq Ahmad Bhatti ◽  
Peng Xu ◽  
Adnan Aslam
Keyword(s):  
Chemical Structure ◽  
Chemical Properties ◽  
Chemical Substance ◽  
Topological Indices ◽  
Connectivity Index ◽  
Silicate Network ◽  
Zagreb Index ◽  
First Order ◽  
Second Zagreb Index ◽  
Chain Silicate

A topological index is a numeric quantity related with the chemical composition claiming to correlate the chemical structure with different chemical properties. Topological indices serve to predict physicochemical properties of chemical substance. Among different topological indices, degree-based topological indices would be helpful in investigating the anti-inflammatory activities of certain chemical networks. In the current study, we determine the neighborhood second Zagreb index and the first extended first-order connectivity index for oxide network O X n , silicate network S L n , chain silicate network C S n , and hexagonal network H X n . Also, we determine the neighborhood second Zagreb index and the first extended first-order connectivity index for honeycomb network H C n .

Some topological indices of dendrimers

2020 ◽  
pp. 2050018
Author(s):  
S. Alyar ◽  
R. Khoeilar ◽  
A. Jahanbani
Keyword(s):  
Graph Theory ◽  
Molecular Graph ◽  
Topological Indices ◽  
Molecular Structures ◽  
Topological Properties ◽  
Zagreb Index ◽  
Zinc Porphyrin ◽  
Molecular Graphs

There are immense applications of graph theory in chemistry and in the study of molecular structures, and after that, it has been increasing exponentially. Molecular graphs have points (vertices) representing atoms and lines (edges) that represent bonds between atoms. In this paper, we study the molecular graph of porphyrin, propyl ether imine, zinc–porphyrin and poly dendrimers and analyzed its topological properties. For this purpose, we have computed topological indices, namely the Albertson index, the sigma index, the Nano-Zagreb index, the first and second hyper [Formula: see text]-indices of porphyrin, propyl ether imine, zinc–porphyrin and poly dendrimers.

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 Topological Indices of Certain Transformed Chemical Structures

2020 ◽  
Vol 2020 ◽  
pp. 1-7 ◽  
Author(s):  
Xuewu Zuo ◽  
Jia-Bao Liu ◽  
Hifza Iqbal ◽  
Kashif Ali ◽  
Syed Tahir Raza Rizvi
Keyword(s):  
Carbon Nanotube ◽  
Line Graph ◽  
Topological Indices ◽  
Connectivity Index ◽  
Zagreb Index ◽  
Harmonic Index ◽  
Chemical Structures ◽  
Augmented Zagreb Index ◽  
Carbon Nanotube Networks ◽  
Atom Bond

Topological indices like generalized Randić index, augmented Zagreb index, geometric arithmetic index, harmonic index, product connectivity index, general sum-connectivity index, and atom-bond connectivity index are employed to calculate the bioactivity of chemicals. In this paper, we define these indices for the line graph of k-subdivided linear [n] Tetracene, fullerene networks, tetracenic nanotori, and carbon nanotube networks.

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