scholarly journals Harmonic Index and Zagreb Indices of Vertex-Semitotal Graphs

2020 ◽  
Vol 13 (5) ◽  
pp. 1260-1269
Author(s):  
Aysun Yurttas Gunes ◽  
Muge Togan ◽  
Musa Demirci ◽  
Ismail Naci Cangul
Keyword(s):  
Graph Theory ◽  
Chemical Properties ◽  
Spectral Graph Theory ◽  
Molecular Structures ◽  
Topological Descriptors ◽  
Graph Invariant ◽  
Qsar Studies ◽  
Spectral Graph ◽  
Graph Classes ◽  
Physico Chemical

Graph theory is one of the rising areas in mathematics due to its applications in many areas of science. Amongst several study areas in graph theory, spectral graph theory and topological descriptors are in front rows. These descriptors are widely used in QSPR/QSAR studies in mathematical chemistry. Vertex-semitotal graphs are one of the derived graph classes which are useful in calculating several physico-chemical properties of molecular structures by means of molecular graphs modelling the molecules. In this paper, several topological descriptors of vertex-semitotal graphs are calculated. Some new relations on these values are obtained by means of a recently defined graph invariant called omega invariant.

Polynomials of Degree-Based Indices of Metal-Organic Networks

2020 ◽  
Vol 23 ◽  
Author(s):  
Ali Ahmad ◽  
Muhammad Ahsan Asim ◽  
Muhammad Faisal Nadeem
Keyword(s):  
Metal Ion ◽  
Chemical Properties ◽  
Molecular Structures ◽  
Topological Descriptors ◽  
Molecular Compound ◽  
Super Capacitor ◽  
Physico Chemical ◽  
Metal Organic ◽  
Carbon Based ◽  
Organic Networks

Aim and Objective: Metal-organic network (MON) is a special class of molecular compounds comprising of groups or metal ion and carbon-based ligand. These chemical compounds are examined employing one, two- or threedimensional formation of porous ore and subfamilies of polymers. Metal-organic networks are frequently utilized in catalysis for the parting & distillation of different gases and by means of conducting solid or super-capacitor. In various scenarios, the compounds are observed balanced in the procedure of deletion or diluter of the molecule and can be rebuilt with another molecular compound. The physical solidity and mechanical characteristics of the metal-organic network have attained great attention due to the mention properties. This study was undertaken to find the polynomials of MON. Methods: Topological descriptor is a numerical number that is utilized to predict the natural correlation amongst the physico-chemical properties of the molecular structures in their elementary networks. Results: After partitioning the vertices based on their degrees, we calculate different degree-based topological polynomials for two distinct metal-organic networks with an escalating number of layers containing both metals and carbon-based ligand vertices. Conclusion: In the analysis of the metal-organic network, topological descriptors and their polynomials play an important part in modern chemistry. An analysis between the calculated various forms of the polynomials and topological descriptors through the numeric values and their graphs is also comprised.

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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