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.

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 On Analysis of Topological Aspects for Subdivision of Kragujevac Tree Networks

2021 ◽  
Vol 2021 ◽  
pp. 1-15
Author(s):  
Salma Kanwal ◽  
Shanshan Shang ◽  
Muhammad Kamran Siddiqui ◽  
Tahira Sumbal Shaikh ◽  
Ammara Afzal ◽  
...  
Keyword(s):  
Line Graph ◽  
Topological Indices ◽  
Zagreb Index ◽  
Tree Networks ◽  
Harmonic Index ◽  
Symmetric Division ◽  
Second Zagreb Index ◽  
Augmented Zagreb Index ◽  
Forgotten Index ◽  
Topological Characteristics

In this paper, we have taken review of certain topological topological characteristics of subdivision and the line graph of subdivision of Kragujevac tree. A Kragujevac tree is denoted by K , K ∈ Kg q = r 2 t + 1 + 1 , r , with order r 2 t + 1 + 1 and size r 2 t + 1 , respectively. We have computed the Zagreb polynomials, forgotten polynomial, and M-polynomial for Kragujevac tree. Moreover, we have computed topological indices like Zagreb-type indices, reduced reciprocal Randić indices, family of Gourava indices as well as forgotten index. Further, some topological indices that can be directly derived from M-polynomial, i.e., first and second Zagreb index, modified second Zagreb index, Randić and reciprocal Randić index, symmetric division and harmonic index, and inverse sum and augmented Zagreb index are also computed.

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 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 Edge Version Molecular Descriptors of Tetrameric 1, 3 Adamantane

2018 ◽  
Vol 7 (4.10) ◽  
pp. 403
Author(s):  
G. Mohanappriya ◽  
D. Vijiyalakshmi
Keyword(s):  
Molecular Descriptors ◽  
Molecular Graph ◽  
Topological Indices ◽  
Connectivity Index ◽  
Zagreb Index ◽  
Numerical Invariants ◽  
Atom Bond

Molecular descriptors (Topological indices) are the numerical invariants of a molecular graph which distinguish its topology. In this article, we compute edge version of topological indices such as Zagreb index, Atom bond connectivity index, Fourth atom bond connectivity index, Geometric Arithmetic index and Fifth Geometric Arithmetic index of tetrameric 1,3 adamantane. 

scholarly journals Topological Characterization of Nanosheet Covered by C3 and C6

Processes ◽  
2019 ◽  
Vol 7 (7) ◽  
pp. 462
Author(s):  
Sumiya Nasir ◽  
Fozia Bashir Farooq ◽  
Nazeran Idrees ◽  
Muhammad Jawwad Saif ◽  
Fatima Saeed
Keyword(s):  
Chemical Structure ◽  
Chemical Properties ◽  
Topological Indices ◽  
Connectivity Index ◽  
Zagreb Index ◽  
Topological Characterization ◽  
Physical And Chemical ◽  
Atom Bond ◽  
And Chemical Properties

A topological index of a graph is a single numeric quantity which relates the chemical structure with its underlying physical and chemical properties. Topological indices of a nanosheet can help us to understand the properties of the material better. This study deals with computation of degree-dependent topological indices like the Randic index, first Zagreb index, second Zagreb index, geometric arithmetic index, atom bond connectivity index, sum connectivity index and hyper Zagreb index of nanosheet covered by C3 and C6. Furthermore, M-polynomial of the nanosheet is also computed, which provides an alternate way to express the topological indices.

scholarly journals Topological Descriptors of M-Carbon M r , s , t

2021 ◽  
Vol 2021 ◽  
pp. 1-14
Author(s):  
Hong Yang ◽  
Muhammad Naeem
Keyword(s):  
Crystal Structures ◽  
Topological Indices ◽  
Connectivity Index ◽  
Topological Descriptors ◽  
Chemical System ◽  
Zagreb Indices ◽  
Chemical Structures ◽  
The One ◽  
Atom Bond

We have studied topological indices of the one the hardest crystal structures in a given chemical system, namely, M-carbon. These structures are based and obtained by the famous algorithm USPEX. The computations and applications of topological indices in the study of chemical structures is growing exponentially. Our aim in this article is to compare and compute some well-known topological indices based on degree and sum of degrees, namely, general Randić indices, Zagreb indices, atom bond connectivity index, geometric arithmetic index, new Zagreb indices, fourth atom bond connectivity index, fifth geometric arithmetic index, and Sanskruti index of the M-carbon M r , s , t . Moreover, we have also computed closed formulas for these indices.

scholarly journals Bounds for the Topological Indices of ℘ graph

2021 ◽  
Vol 14 (2) ◽  
pp. 340-350
Author(s):  
Muddalapuram Manjunath ◽  
V. Lokesha ◽  
. Suvarna ◽  
Sushmitha Jain
Keyword(s):  
Finite Graph ◽  
Quantitative Structure Activity Relationship ◽  
Topological Indices ◽  
Quantitative Structure ◽  
Structure Property ◽  
Lower And Upper Bounds ◽  
Zagreb Index ◽  
Chemical Structures ◽  
Structure Property Relationship ◽  
Atom Bond

Topological indices are mathematical measure which correlates to the chemical structures of any simple finite graph. These are used for Quantitative Structure-Activity Relationship (QSAR) and Quantitative Structure-Property Relationship (QSPR). In this paper, we define operator graph namely, ℘ graph and structured properties. Also, establish the lower and upper bounds for few topological indices namely, Inverse sum indeg index, Geometric-Arithmetic index, Atom-bond connectivity index, first zagreb index and first reformulated Zagreb index of ℘-graph.

scholarly journals Testing the quality of molecular structure descriptors. Vertex-degree-based topological indices

2013 ◽  
Vol 78 (6) ◽  
pp. 805-810 ◽  
Author(s):  
Ivan Gutman ◽  
Jelena Tosovic
Keyword(s):  
Molecular Structure ◽  
Topological Indices ◽  
Vertex Degree ◽  
Heats Of Formation ◽  
Zagreb Index ◽  
Boiling Points ◽  
Augmented Zagreb Index ◽  
Octane Isomers ◽  
Atom Bond

The correlation ability of 20 vertex-degree-based topological indices, occurring in the chemical literature, is tested for the case of standard heats of formation and normal boiling points of octane isomers. It is found that the correlation ability of many of these indices is either rather weak or nil. The augmented Zagreb index and the atom-bond connectivity index yield the best results.

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.

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