scholarly journals Degree-Based Topological Indices of Boron B12

2021 ◽  
Vol 2021 ◽  
pp. 1-6
Author(s):  
Nouman Saeed ◽  
Kai Long ◽  
Zeeshan Saleem Mufti ◽  
Hafsa Sajid ◽  
Abdul Rehman
Keyword(s):  
Chemical Structure ◽  
Chemical Reactivity ◽  
Molecular Descriptor ◽  
Topological Indices ◽  
Connectivity Index ◽  
Melting Points ◽  
Zagreb Index ◽  
Boiling Points ◽  
Electronic Parameters ◽  
Atom Bond

Topological index sometimes called molecular descriptor is a numerical value which associates a chemical composition for correlating chemical structure with numerous physical properties, chemical reactivity, or biological activity. In this paper, we study some topological indices of boron and try to correlate the physicochemical properties such as freezing points, boiling points, melting points, infrared spectrum, electronic parameters, viscosity, and density of chemical graphs. We discuss these topological indices, and some of them are mentioned here such as Randic index, the first general Zagreb index, the general sum connectivity index, hyper-Zagreb index (HM), the atom-bond connectivity index (ABC), the geometric-arithmetic index (GA), the harmonic index (H), and the forgotten index (F).

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 Indices of H-Naphtalenic Nanosheet

2018 ◽  
Vol 16 (1) ◽  
pp. 1184-1188 ◽  
Author(s):  
Nazeran Idrees ◽  
Muhammad Jawwad Saif ◽  
Afshan Sadiq ◽  
Asia Rauf ◽  
Fida Hussain
Keyword(s):  
Chemical Structure ◽  
Topological Indices ◽  
Connectivity Index ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Chemical Graph ◽  
Second Zagreb Index ◽  
Topological Descriptor ◽  
Chemical Graph Theory ◽  
Atom Bond

AbstractIn chemical graph theory, a single numeric number related to a chemical structure is called a topological descriptor or topological index of a graph. In this paper, we compute analytically certain topological indices for H-Naphtalenic nanosheet like Randic index, first Zagreb index, second Zagreb index, geometric arithmetic index, atom bond connectivity index, sum connectivity index and hyper-Zagreb index using edge partition technique. The first multiple Zagreb index and the second multiple Zagreb index of the nanosheet are also discussed in this paper.

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 Computing Some Degree-Based Topological Indices of Honeycomb Networks

Complexity ◽  
2022 ◽  
Vol 2022 ◽  
pp. 1-13
Author(s):  
Lili Gu ◽  
Shamaila Yousaf ◽  
Akhlaq Ahmad Bhatti ◽  
Peng Xu ◽  
Adnan Aslam
Keyword(s):  
Chemical Structure ◽  
Chemical Properties ◽  
Chemical Substance ◽  
Topological Indices ◽  
Connectivity Index ◽  
Silicate Network ◽  
Zagreb Index ◽  
First Order ◽  
Second Zagreb Index ◽  
Chain Silicate

A topological index is a numeric quantity related with the chemical composition claiming to correlate the chemical structure with different chemical properties. Topological indices serve to predict physicochemical properties of chemical substance. Among different topological indices, degree-based topological indices would be helpful in investigating the anti-inflammatory activities of certain chemical networks. In the current study, we determine the neighborhood second Zagreb index and the first extended first-order connectivity index for oxide network O X n , silicate network S L n , chain silicate network C S n , and hexagonal network H X n . Also, we determine the neighborhood second Zagreb index and the first extended first-order connectivity index for honeycomb network H C n .

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 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 Study of Hardness of Superhard Crystals by Topological Indices

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Xiujun Zhang ◽  
Muhammad Naeem ◽  
Abdul Qudair Baig ◽  
Manzoor Ahmad Zahid
Keyword(s):  
Molecular Structure ◽  
Chemical Structure ◽  
Topological Indices ◽  
Connectivity Index ◽  
Chemical Bonds ◽  
Randić Index ◽  
Total Resistance ◽  
Randic Index ◽  
Atom Bond

Topological indices give immense information about a molecular structure or chemical structure. The hardness of materials for the indentation can be defined microscopically as the total resistance and effect of chemical bonds in the respective materials. The aim of this paper is to study the hardness of some superhard B C x crystals by means of topological indices, specifically Randić index and atom-bond connectivity index.

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.

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.

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