The expected values of arithmetic bond connectivity and geometric indices in random phenylene chains

Raza, Zahid

doi:10.1016/j.heliyon.2020.e04479

Cited by 49 publications

(22 citation statements)

References 29 publications

(29 reference statements)

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“…Several papers are concentrated about random arrangement of graphs. For more details, see [9][10][11][12][13][14][15]. The comparison and inequalities among some indices for molecular graphs have been derived in [16,17].…”

Section: Methodsmentioning

confidence: 99%

Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains

Raza

Imran

2021

Symmetry

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The modified second Zagreb index, symmetric difference index, inverse symmetric index, and augmented Zagreb index are among the molecular descriptors which have good correlations with some physicochemical properties (such as formation heat, total surface area, etc.) of chemical compounds. By a random cyclooctane chain, we mean a molecular graph of a saturated hydrocarbon containing at least two rings such that all rings are cyclooctane, every ring is joint with at most two other rings through a single bond, and exactly two rings are joint with one other ring. In this article, our main purpose is to determine the expected values of the aforementioned molecular descriptors of random cyclooctane chains explicitly. We also make comparisons in the form of explicit formulae and numerical tables consisting of the expected values of the considered descriptors of random cyclooctane chains. Moreover, we outline the graphical profiles of these comparisons among the mentioned descriptors.

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Section: Methodsmentioning

confidence: 99%

Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains

Raza

Imran

2021

Symmetry

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“…In this part, the average values of 𝑆𝑂, 𝑆𝑂 𝑟𝑒𝑑 and 𝑆𝑂 𝑎𝑣𝑔 have been resolved for the set of random Polyphenyl chains [14]. The average values over the set Ŕ𝑃 𝑘 are:…”

Section: -Average Value Of Indices In Polyphenyl Chainsmentioning

confidence: 99%

Expected Values of Molecular Descriptors in Random Polyphenyl Chains

2022

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A chemical graph is a model used to indicate a chemical combination. In a molecular graph, vertices define atoms, and edges are represented as chemical bonds. A topological index is a single number to characterize the graph of a molecule. In this article, we study the topological properties of some special chains. The polyphenyl chains with hexagons are graphs of aromatic organic compounds. The key purpose of this article is to explore the expected value of Sombor, reduced Sombor, and average Sombor index for this category of organic compounds. It was investigated that the Sombor, reduced Sombor and average Sombor index revealed adequate discriminative potential of alkanes. It has been tested that these indicators can be used effectively in modeling chemical thermodynamic structures. The average value of the Sombor, reduced Sombor, and average Sombor index for the set of all spiro and random polyphenyl chains has been determined. Finally, the ratio between the expected values of these mentioned indices for both random chains has been resolved. Doi: 10.28991/ESJ-2022-06-01-012 Full Text: PDF

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“…In refs. [23,24], Raza studied the expected values of some indices such as sumconnectivity, harmonic, symmetric division, arithmetic bond connectivity and geometric indices in random phenylene chains. In the following, we will study the Sombor indices of phenylene chains which are special molecular graphs.…”

Section: Random Phenylene Chainsmentioning

confidence: 99%

The expected values of Sombor indices in random hexagonal chains, phenylene chains and Sombor indices of some chemical graphs

Fang

You

Liu

2021

Int J of Quantum Chemistry

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Hexagonal chains are a special class of catacondensed benzenoid system and phenylene chains are a class of polycyclic aromatic compounds. Recently, A family of Sombor indices was introduced by Gutman in the chemical graph theory. It had been examined that these indices may be successfully applied on modeling thermodynamic properties of compounds. In this paper, we study the expected values of the Sombor indices in random hexagonal chains, phenylene chains, and consider the Sombor indices of some chemical graphs such as graphene, coronoid systems and carbon nanocones.

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The expected values of arithmetic bond connectivity and geometric indices in random phenylene chains

Cited by 49 publications

References 29 publications

Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains

Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains

Expected Values of Molecular Descriptors in Random Polyphenyl Chains

The expected values of Sombor indices in random hexagonal chains, phenylene chains and Sombor indices of some chemical graphs

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