scholarly journals Computation of Topological Indices of Graphene

2015 ◽  
Vol 2015 ◽  
pp. 1-8 ◽  
Author(s):  
G. Sridhara ◽  
M. R. Rajesh Kanna ◽  
R. S. Indumathi
Keyword(s):  
Topological Indices ◽  
Connectivity Index ◽  
Randić Connectivity Index ◽  
Abc Index ◽  
Ga Index

We compute ABC index, ABC4index, Randic connectivity index, Sum connectivity index, GA index, and GA5index of Graphene.

scholarly journals Topological Indices of Vitamin D3

2018 ◽  
Vol 7 (4) ◽  
pp. 6276
Author(s):  
Rajesh Kanna ◽  
Roopa S ◽  
PARASHIVAMURTHY H L
Keyword(s):  
Vitamin D3 ◽  
Topological Index ◽  
Topological Indices ◽  
Connectivity Index ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Second Zagreb Index ◽  
Augmented Zagreb Index ◽  
Abc Index ◽  
Ga Index

Graph theory has provided chemists with a variety of useful tools, such as topological indices. A topological index Top(G) of a graph G is a number with the property that for every graph H isomorphic to G, Top(H) = Top(G). In this paper, we compute ABC index, ABC4 index, Randi´c connectivity index, Sum connectivity index, GA index , GA5 index, First Zagreb index, Second Zagreb index, First Multiple Zagreb index, Second Multiple Zagreb index, Augmented Zagreb index, Harmonic index and Hyper Zagreb index, First Zagreb polynomial, Second Zagreb polynomial, Third Zagreb polynomial, Forgotten polynomials, Forgotten topological index and Symmetric division index of vitamin D3.

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.

scholarly journals On Topological Indices of Dual Graph of Benzene Ring Embedded in P-Type Surface in 2D Network

2021 ◽  
Vol 10 (3) ◽  
pp. 1936-1941
Keyword(s):  
Benzene Ring ◽  
Molecular Graph ◽  
Dual Graph ◽  
Topological Indices ◽  
Zagreb Indices ◽  
Abc Index ◽  
P Type ◽  
2D Network ◽  
Ga Index ◽  
Atom Bond

The structure of any finite molecular graph which represent numerical quantities are known as topological indices. The importance of topological indices is generally linked with QSAR/QSPR. In this paper, we compute general Zagreb (M஑_) index, general Randic connectivity (R஑_) index, general sum-connectivity (χ஑) index, atom-bond connectivity (ABC) index, and geometric-arithmetic (GA) index,ABCସ, GAହ, multiple Zagreb indices and Zagreb polynomial indices of the of dual graph of benzene ring embedded in P-type-surface in 2D network.

scholarly journals On molecular topological properties of benzenoid structures

2016 ◽  
Vol 94 (8) ◽  
pp. 687-698 ◽  
Author(s):  
Shehnaz Akhter ◽  
Muhammad Imran
Keyword(s):  
Strain Energy ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Connectivity Index ◽  
Line Graphs ◽  
Zigzag Edge ◽  
Zagreb Index ◽  
Chemical Significance ◽  
Randić Connectivity Index ◽  
Atom Bond

The degree-based topological indices correlate certain physicochemical properties such as boiling point, strain energy, and stability, etc., of certain chemical compounds. Among the major classes of topological indices are the distance-based topological indices, degree-based topological indices, and counting-related polynomials and corresponding indices of graphs. Among all of the degree-based indices, namely the first general Zagreb index, general Rndić connectivity index, general sum-connectivity index, atom–bond connectivity index (ABC), and geometric–arithmetic index (GA), are most important due to their chemical significance. In this paper, we compute the first general Zagreb index, general Randić connectivity index, general sum-connectivity index, ABC, GA, ABC4, and GA5 indices of hexagonal parallelogram P(m,n) nanotubes, triangular benzenoid Gn, and zigzag-edge coronoid fused with starphene ZCS(k,l,m) nanotubes by using the line graphs of the subdivision of these chemical graphs.

scholarly journals Extremal topological indices for graphs of given connectivity

Filomat ◽  
2015 ◽  
Vol 29 (7) ◽  
pp. 1639-1643 ◽  
Author(s):  
Ioan Tomescu ◽  
Misbah Arshad ◽  
Muhammad Jamil
Keyword(s):  
Wiener Index ◽  
Topological Indices ◽  
Connectivity Index ◽  
Zeroth Order ◽  
Edge Connectivity ◽  
Connected Graphs ◽  
Randic Index ◽  
Randić Connectivity Index ◽  
Unique Graph ◽  
General Randić Connectivity Index

In this paper, we show that in the class of graphs of order n and given (vertex or edge) connectivity equal to k (or at most equal to k), 1 ? k ? n - 1, the graph Kk + (K1? Kn-k-1) is the unique graph such that zeroth-order general Randic index, general sum-connectivity index and general Randic connectivity index are maximum and general hyper-Wiener index is minimum provided ? > 1. Also, for 2-connected (or 2-edge connected) graphs and ? > 0 the unique graph minimizing these indices is the n-vertex cycle Cn.

scholarly journals On the Computation of Some Topological Descriptors to Find Closed Formulas for Certain Chemical Graphs

2021 ◽  
Vol 2021 ◽  
pp. 1-18
Author(s):  
Muhammad Haroon Aftab ◽  
Muhammad Rafaqat ◽  
M. Hussain ◽  
Tariq Zia
Keyword(s):  
Research Paper ◽  
Topological Indices ◽  
Connectivity Index ◽  
Topological Descriptors ◽  
General Version ◽  
Harmonic Index ◽  
Chemical Graphs ◽  
Abc Index ◽  
Atom Bond ◽  
Honeycomb Network

In this research paper, we will compute the topological indices (degree based) such as the ordinary generalized geometric-arithmetic (OGA) index, first and second Gourava indices, first and second hyper-Gourava indices, general Randic´ index R γ G , for  γ = ± 1 , ± 1 / 2 , harmonic index, general version of the harmonic index, atom-bond connectivity (ABC) index, SK, SK1, and SK2 indices, sum-connectivity index, general sum-connectivity index, and first general Zagreb and forgotten topological indices for various types of chemical networks such as the subdivided polythiophene network, subdivided hexagonal network, subdivided backbone DNA network, and subdivided honeycomb network. The discussion on the aforementioned networks will give us very remarkable results by using the aforementioned topological indices.

scholarly journals Topological Indices of the Pent-Heptagonal Nanosheets VC5C7 and HC5C7

2019 ◽  
Vol 2019 ◽  
pp. 1-12
Author(s):  
Fei Deng ◽  
Xiujun Zhang ◽  
Mehdi Alaeiyan ◽  
Abid Mehboob ◽  
Mohammad Reza Farahani
Keyword(s):  
Topological Indices ◽  
Connectivity Index ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Second Zagreb Index ◽  
Randić Connectivity Index ◽  
Augmented Zagreb Index ◽  
Forgotten Index ◽  
Atom Bond ◽  
Modified Zagreb Index

In this paper, we computed the topological indices of pent-heptagonal nanosheet. Formulas for atom-bond connectivity index, fourth atom-bond connectivity index, Randić connectivity index, sum-connectivity index, first Zagreb index, second Zagreb index, augmented Zagreb index, modified Zagreb index, hyper Zagreb index, geometric-arithmetic index, fifth geometric-arithmetic index, Sanskruti index, forgotten index, and harmonic index of pent-heptagonal nanosheet have been derived.

scholarly journals Computing multiple ABC index and multiple GA index of some grid graphs

Open Physics ◽  
2018 ◽  
Vol 16 (1) ◽  
pp. 588-598 ◽  
Author(s):  
Wei Gao ◽  
Muhammad Kamran Siddiqui ◽  
Muhammad Naeem ◽  
Muhammad Imran
Keyword(s):  
Boiling Point ◽  
Chemical Compounds ◽  
Enthalpy Of Vaporization ◽  
Topological Indices ◽  
Grid Graphs ◽  
Square Grid ◽  
Abc Index ◽  
Atomic Descriptors ◽  
Ga Index ◽  
Atom Bond

AbstractTopological indices are the atomic descriptors that portray the structures of chemical compounds and they help us to anticipate certain physico-compound properties like boiling point, enthalpy of vaporization and steadiness. The atom bond connectivity (ABC) index and geometric arithmetic (GA) index are topological indices which are defined as $ABC(G)=\sum_{uv\in E(G)}\sqrt{\frac{d_u+d_v-2}{d_ud_v}}$ and $GA(G)=\sum_{uv\in E(G)}\frac{2\sqrt{d_ud_v}}{d_u+d_v}$ , respectively, where du is the degree of the vertex u. The aim of this paper is to introduced the new versions of ABC index and GA index namely multiple atom bond connectivity (ABC) index and multiple geometric arithmetic (GA) index. As an application, we have computed these newly defined indices for the octagonal grid $O_p^q$ , the hexagonal grid H(p, q) and the square grid Gp, q. Also, we compared these results obtained with the ones by other indices like the ABC4 index and the GA5 index.

The Sum-Connectivity Index - An Additive Variant of the Randic Connectivity Index§

2013 ◽  
Vol 9 (2) ◽  
pp. 184-194 ◽  
Author(s):  
Bono Lucic ◽  
Ivan Sovic ◽  
Jadranko Batista ◽  
Karolj Skala ◽  
Dejan Plavsic ◽  
...  
Keyword(s):  
Connectivity Index ◽  
Randić Connectivity Index

On eccentricity-based topological descriptors of water-soluble dendrimers

2018 ◽  
Vol 74 (1-2) ◽  
pp. 25-33 ◽  
Author(s):  
Zahid Iqbal ◽  
Muhammad Ishaq ◽  
Adnan Aslam ◽  
Wei Gao
Keyword(s):  
Molecular Structure ◽  
Chemical Properties ◽  
Topological Indices ◽  
Water Soluble ◽  
Connectivity Index ◽  
Topological Descriptors ◽  
Physical And Chemical Properties ◽  
Eccentric Connectivity Index ◽  
Physical And Chemical ◽  
And Chemical Properties

AbstractPrevious studies show that certain physical and chemical properties of chemical compounds are closely related with their molecular structure. As a theoretical basis, it provides a new way of thinking by analyzing the molecular structure of the compounds to understand their physical and chemical properties. The molecular topological indices are numerical invariants of a molecular graph and are useful to predict their bioactivity. Among these topological indices, the eccentric-connectivity index has a prominent place, because of its high degree of predictability of pharmaceutical properties. In this article, we compute the closed formulae of eccentric-connectivity–based indices and its corresponding polynomial for water-soluble perylenediimides-cored polyglycerol dendrimers. Furthermore, the edge version of eccentric-connectivity index for a new class of dendrimers is determined. The conclusions we obtained in this article illustrate the promising application prospects in the field of bioinformatics and nanomaterial engineering.

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