scholarly journals Multiplicative topological indices of honeycomb derived networks

Open Physics ◽  
2019 ◽  
Vol 17 (1) ◽  
pp. 16-30
Author(s):  
Jiang-Hua Tang ◽  
Mustafa Habib ◽  
Muhammad Younas ◽  
Muhammad Yousaf ◽  
Waqas Nazeer
Keyword(s):  
Graph Theory ◽  
Structural Properties ◽  
Chemical Properties ◽  
Vital Role ◽  
Topological Indices ◽  
Chemical Graph ◽  
Chemical Structures ◽  
Chemical Graph Theory ◽  
Physico Chemical

Abstract Topological indices are the numerical values associated with chemical structures that correlate physico-chemical properties with structural properties. There are various classes of topological indices such as degree based topological indices, distance based topological indices and counting related topological indices. Among these classes, degree based topological indices are of great importance and play a vital role in chemical graph theory, particularly in chemistry. In this report, we have computed the multiplicative degree based topological indices of honeycomb derived networks of dimensions I, 2, 3 and 4.

scholarly journals M-Polynomials and Degree-Based Topological Indices of Triangular, Hourglass, and Jagged-Rectangle Benzenoid Systems

2018 ◽  
Vol 2018 ◽  
pp. 1-8 ◽  
Author(s):  
Young Chel Kwun ◽  
Ashaq Ali ◽  
Waqas Nazeer ◽  
Maqbool Ahmad Chaudhary ◽  
Shin Min Kang
Keyword(s):  
Graph Theory ◽  
Biological Properties ◽  
Vital Role ◽  
Topological Indices ◽  
Molecular Topology ◽  
Chemical Graph ◽  
Chemical Structures ◽  
Research Fields ◽  
Chemical Graph Theory ◽  
Active Research

Chemical graph theory is a branch of mathematical chemistry which has an important effect on the development of the chemical sciences. The study of topological indices is currently one of the most active research fields in chemical graph theory. Topological indices help to predict many chemical and biological properties of chemical structures under study. The aim of this report is to study the molecular topology of some benzenoid systems. M-polynomial has wealth of information about the degree-based topological indices. We compute M-polynomials for triangular, hourglass, and jagged-rectangle benzenoid systems, and from these M-polynomials, we recover nine degree-based topological indices. Our results play a vital role in pharmacy, drug design, and many other applied areas.

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 Computation of Nirmala Indices of Some Chemical Networks

2021 ◽  
Vol 33 (4) ◽  
pp. 30-41
Author(s):  
V.R. KULLI ◽  
◽  
B. CHALUVARAJU ◽  
T.V. ASHA ◽  
◽  
...  
Keyword(s):  
Graph Theory ◽  
Comparative Analysis ◽  
Chemical Properties ◽  
Topological Indices ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Chemical Graphs ◽  
Chain Silicate

Chemical graph theory is a branch of graph theory whose focus of interest is to finding topological indices of chemical graphs which correlate well with chemical properties of the chemical molecules. In this paper, we compute the Nirmala index, first and second inverse Nirmala indices for some chemical networks like silicate networks, chain silicate networks, hexagonal networks, oxide networks and honeycomb networks along with their comparative analysis.

scholarly journals The Generalized Zagreb Index of Some Carbon Structures

2018 ◽  
Vol 26 (1) ◽  
pp. 91-104 ◽  
Author(s):  
Prosanta Sarkar ◽  
Nilanjan De ◽  
Anita Pal
Keyword(s):  
Graph Theory ◽  
Physicochemical Properties ◽  
Topological Indices ◽  
Zagreb Index ◽  
Chemical Graph ◽  
Chemical Structures ◽  
Chemical Graph Theory ◽  
Carbon Structures

Abstract In chemical graph theory, chemical structures are model edthrough a graph where atoms are considered as vertices and edges are bonds between them. In chemical sciences, topological indices are used for understanding the physicochemical properties of molecules. In this work, we study the generalized Zagreb index for three types of carbon allotrope’s theoretically.

scholarly journals Some degree-based topological indices of caboxy-terminated dendritic macromolecule

2021 ◽  
Vol 44 (1) ◽  
pp. 165-172
Author(s):  
Yongsheng Rao ◽  
Ammarah Kanwal ◽  
Riffat Abbas ◽  
Saima Noureen ◽  
Asfand Fahad ◽  
...  
Keyword(s):  
Graph Theory ◽  
Chemical Properties ◽  
Biochemical Properties ◽  
Topological Indices ◽  
Connectivity Index ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Modern Era ◽  
Dendritic Macromolecule ◽  
Atom Bond

Abstract In the modern era of the chemical science, the chemical graph theory has contributed significantly to exploring the properties of the chemical compounds. Currently, the computation of the topological indices is one of the most active directions of the research in the area of the chemical graph theory. The main feature of the study of the topological indices is its its ability of predicting the various physio-chemical properties. In this article, we compute several degree-based topological indices for the caboxy-terminated dendritic macromolecule. We compute Harmonic index, atom-bond connectivity index, geometric arithmetic index, sum connectivity index, inverse sum index, symmetric division degree, and Zagreb indices for caboxy-terminated dendritic macromolecule. The obtained results have potential to predict biochemical properties such as viscosity, entropy, and boiling point.

scholarly journals On ve-degree- and ev-degree-based topological properties of crystallographic structure of cuprite Cu2O

2021 ◽  
Vol 19 (1) ◽  
pp. 576-585
Author(s):  
Shu-Bo Chen ◽  
Abdul Rauf ◽  
Muhammad Ishtiaq ◽  
Muhammad Naeem ◽  
Adnan Aslam
Keyword(s):  
Graph Theory ◽  
Copper Oxide ◽  
Topological Indices ◽  
Topological Descriptors ◽  
Crystallographic Structure ◽  
Chemical Substances ◽  
Chemical Graph ◽  
Chemical Structures ◽  
Chemical Graph Theory ◽  
Enormous Number

Abstract In the study of chemical graph theory, an enormous number of research analyses have confirmed that the characteristics of chemicals have a nearby connection with their atomic structure. Topological indices were the critical tools for the analysis of these chemical substances to consider the essential topology of chemical structures. Topological descriptors are the significant numerical quantities or invariant in the fields of chemical graph theory. In this study, we have studied the crystal structure of copper oxide ( Cu 2 O {{\rm{Cu}}}_{2}{\rm{O}} ) chemical graph, and further, we have calculated the ev-degree- and ve-degree-based topological indices of copper oxide chemical graph. This kind of study may be useful for understanding the atomic mechanisms of corrosion and stress–corrosion cracking of copper.

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.

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 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].

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