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].

scholarly journals Zagreb Polynomials and Redefined Zagreb 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 ◽  
Wei Gao ◽  
Shin Min Kang
Keyword(s):  
Molecular Structure ◽  
Graph Theory ◽  
Molecular Graph ◽  
Zagreb Indices ◽  
Silicon Carbon ◽  
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. In this report, we study the silicon-carbon Si2C3-I[p,q] and Si2C3-II[p,q]. We compute several Zagreb polynomials and Redefined Zagreb indices of these silicon-carbons.

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.

Topological aspects of some dendrimer structures

2018 ◽  
Vol 7 (2) ◽  
pp. 123-129 ◽  
Author(s):  
Adnan Aslam ◽  
Muhammad Kamran Jamil ◽  
Wei Gao ◽  
Waqas Nazeer
Keyword(s):  
Self Assembly ◽  
Molecular Graph ◽  
Chemical Properties ◽  
Topological Indices ◽  
Connectivity Index ◽  
Molecular Topology ◽  
Zinc Porphyrin ◽  
Physico Chemical ◽  
Randić Connectivity Index ◽  
Atom Bond

AbstractA numerical number associated to the molecular graphGthat describes its molecular topology is called topological index. In the study ofQSARandQSPR, topological indices such as atom-bond connectivity index, Randić connectivity index, geometric index, etc. help to predict many physico-chemical properties of the chemical compound under study. Dendrimers are macromolecules and have many applications in chemistry, especially in self-assembly procedures and host-guest reactions. The aim of this report is to compute degree-based topological indices, namely the fourth atom-bond connectivity index and fifth geometric arithmetic index of poly propyl ether imine, zinc porphyrin, and porphyrin 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 COMPUTING TOPOLOGICAL INDICES OF SiO2 LAYER STRUCTURE AND BENZENOID SERIES

2019 ◽  
Vol 49 (4) ◽  
pp. 219-224
Author(s):  
M. H. Muhammad ◽  
Juan Luis Garcia Guirao ◽  
N. A. Rehman ◽  
M. K. Siddiqui
Keyword(s):  
Strain Energy ◽  
Layer Structure ◽  
Molecular Graph ◽  
Chemical Properties ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Sio2 Layer ◽  
Physico Chemical ◽  
Forgotten Index ◽  
Map Operations

A molecular graph can be transformed using map operations, one of these, named Capra, being defined by Diudea (2005). Topological indices are closely related to the toxicological, physicochemical, pharmacological properties of a chemical compound. These topological indices correlate certain physico-chemical properties like boiling point, stability and strain energy of chemical compounds. In this paper, we focus on the Silicate SiO2 layer structure and the structure of Capra-designed planar benzenoid series , (). We determined Zagreb type indices, Forgotten index, Augmented index and Balaban index for these structures.

scholarly journals Molecular Properties of Symmetrical Networks Using Topological Polynomials

2019 ◽  
Vol 17 (1) ◽  
pp. 849-864 ◽  
Author(s):  
Xing-Long Wang ◽  
Jia-Bao Liu ◽  
Maqsood Ahmad ◽  
Muhammad Kamran Siddiqui ◽  
Muhammad Hussain ◽  
...  
Keyword(s):  
Topological Index ◽  
Molecular Graph ◽  
Chemical Species ◽  
Chemical Properties ◽  
Biological Properties ◽  
Chemical Graph ◽  
Zagreb Indices ◽  
Physico Chemical ◽  
Symmetry Properties ◽  
Physical Features

AbstractA numeric quantity that comprehend characteristics of molecular graph Γ of chemical compound is known as topological index. This number is, in fact, invariant with respect to symmetry properties of molecular graph Γ. Many researchers have established, after diverse studies, a parallel between the physico chemical properties like boiling point, stability, similarity, chirality and melting point of chemical species and corresponding chemical graph. These descriptors defined on chemical graphs are extremely helpful for researchers to conduct regression model like QSAR/QSPR and better understand the physical features, complexity of molecules, chemical and biological properties of underlying compound.In this paper, several structure descriptors of vital importance, namely, first, second, modified and augmented Zagreb indices, inverse and general Randic indices, symmetric division, harmonic, inverse sum and forgotten indices of Hex-derived Meshes (networks) of two kinds, namely, HDN1(n) and HDN2(n) are computed and recovered using general approach of topological polynomials.

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 On Some Properties of Multiplicative Topological Indices in Silicon-Carbon

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Abid Mahboob ◽  
Sajid Mahboob ◽  
Mohammed M. M. Jaradat ◽  
Nigait Nigar ◽  
Imran Siddique
Keyword(s):  
Graph Theory ◽  
Structural Properties ◽  
Topological Index ◽  
Molecular Graph ◽  
Chemical Compounds ◽  
Google Maps ◽  
Chemical Graph ◽  
Zagreb Indices ◽  
Silicon Carbon ◽  
Connectivity Indices

The use of graph theory can be visualized in nanochemistry, computer networks, Google maps, and molecular graph which are common areas to elaborate application of this subject. In nanochemistry, a numeric number (topological index) is used to estimate the biological, physical, and structural properties of chemical compounds that are associated with the chemical graph. In this paper, we compute the first and second multiplicative Zagreb indices ( M 1 G and ( M 1 G )), generalized multiplicative geometric arithmetic index ( GA α II G ), and multiplicative sum connectivity and multiplicative product connectivity indices ( SCII G and PCII G ) of SiC 4 − I m , n and SiC 4 − II m , n .

scholarly journals Connection-Based Multiplicative Zagreb Indices of Dendrimer Nanostars

2021 ◽  
Vol 2021 ◽  
pp. 1-14
Author(s):  
Aqsa Sattar ◽  
Muhammad Javaid ◽  
Ebenezer Bonyah
Keyword(s):  
Graph Theory ◽  
Physicochemical Properties ◽  
Topological Index ◽  
Molecular Graph ◽  
Topological Indices ◽  
Zagreb Indices ◽  
Mathematical Chemistry ◽  
Chemical Structures ◽  
And Mathematics

The field of graph theory is broadly growing and playing a remarkable role in cheminformatics, mainly in chemistry and mathematics in developing different chemical structures and their physicochemical properties. Mathematical chemistry provides a platform to study these physicochemical properties with the help of topological indices (TIs). A topological index (TI) is a function that connects a numeric number to each molecular graph. Zagreb indices (ZIs) are the most studied TIs. In this paper, we establish general expressions to calculate the connection-based multiplicative ZIs, namely, first multiplicative ZIs, second multiplicative ZIs, third multiplicative ZIs, and fourth multiplicative ZIs, of two renowned dendrimer nanostars. The defined expressions just depend on the step of growth of these dendrimers. Moreover, we have compared our calculated for both type of dendrimers with each other.

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