Graph entropies of porous graphene using topological indices

Shanmukha, M. C.; Usha, A.; Basavarajappa, N.S.; Shilpa, K

doi:10.1016/j.comptc.2021.113142

Cited by 25 publications

(13 citation statements)

References 18 publications

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“…In other words, it is the information obtained by learning the values of some unknown variables. Entropy has many applications in information theory as information entropy, in chemistry as thermodynamic entropy, and in graph theory as graph entropy [8][9][10][11][12][13][14][15][16]. In general, entropy is defined as the following: Let x be a discrete random variable and x ∈ X and p be the probability distribution of set X.…”

Section: Introductionmentioning

confidence: 99%

On Computation of Degree-Based Entropy of Planar Octahedron Networks

Sun

Ali

et al. 2022

Journal of Function Spaces

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Chemical graph theory is the combination of mathematical graph theory and chemistry. To analyze the biocompatibility of the compounds, topological indices are used in the research of QSAR/QSPR studies. The degree-based entropy is inspired by Shannon’s entropy. The connectivity pattern such as planar octahedron network is used to predict physiochemical activity. In this article, we present some degree-based entropies of planar octahedron network.

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Section: Introductionmentioning

confidence: 99%

On Computation of Degree-Based Entropy of Planar Octahedron Networks

Sun

Ali

et al. 2022

Journal of Function Spaces

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“…Different indices of the same type of nanotubes are also been calculated in References [15,16]. Different novel degree-based topological descriptors of CBT are discussed by Usha et al in References [17][18][19].…”

Section: Tri-hexagonal Bntmentioning

confidence: 99%

Gourava descriptors of multi‐dimensional flat and stable tri‐hexagonal boron nanotubes

Shaker

Zobair

Mehmood

et al. 2021

Int J of Quantum Chemistry

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Gourava indices of boron nanotubes (BNT) are used to study the physical and electronic properties of nano semiconductor devices. Gourava indices have an important role in the study of high thermal conductivity and nano-scale mechanical properties of semiconductors. These indices are also used to study the applicability of BNTs in the field of energy storage, and biomedical medicines. Since BNT like carbon nanotubes have almost the same tubular structure obtained by replacing carbon atoms with boron atoms. Therefore, they require theoretical study to establish structural changes in BNTs. In this paper, we compute the first and second Gourava descriptors, first and second hyper Gourava descriptors, sum and product connectivity Gourava descriptors and general first and second Gourava descriptors for the tri-hexagonal BNTs.

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“…Simple explicit formulae are developed to predict the geometric arithmetic and atom bond connectivity indices and their expected values in random polyphenyl chains with n hexagons [21]. The weighted graph entropies for the porous graphene structure are analyzed using the first and second Zagreb, Randic and reciprocal Randic, first and fourth atom-bond connectivity, first and fifth geometric arithmetic, harmonic and sum-connectivity indices [22]. The general Randic connection, general Zagreb, general sum connectivity, first, second and multiplicative Zagreb, atom-bond connectivity, and geometric arithmetic indices of horizontal and vertical cylindrical Benes networks are calculated [23].…”

Section: Introductionmentioning

confidence: 99%

Analysis of a Productive Topological Index Correlated to Fullerenes’ Physical Properties

et al. 2022

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Fullerene is a cage-like carbon allotrope admitting a vast range of applications. Some of the important fullerenes are C54,C58,C60,C70,C74,C76,C78,C80C82,C84,C86,C90. The physical properties of fullerenes can be exhibited using the degree-based topological indices. The sum based geometric arithmetic index is significant in this manner. The sum based atomic bond connectivity, Randic, first and second Zagreb indices are well known topological indices. We have determined the regression relation between each of these indices and the sum based geometric arithmetic index. Moreover, the correlation coefficient is also calculated. Correlation is a symmetric relation, as it provides association between two variables. On the basis of regression analysis and correlation coefficient, it was found that each of this index is strongly related to the sum based geometric arithmetic index. Moreover, we have computed the regression relations concerning the physical properties depending on the sum based geometric arithmetic index. The physical properties include binding energies, Ramsauer-Townsend minima, shape resonances and heat of formation of fullerene molecules. It was concluded that the sum based GA index is the best in presenting the heat of the formation of molecules.

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Graph entropies of porous graphene using topological indices

Cited by 25 publications

References 18 publications

On Computation of Degree-Based Entropy of Planar Octahedron Networks

On Computation of Degree-Based Entropy of Planar Octahedron Networks

Gourava descriptors of multi‐dimensional flat and stable tri‐hexagonal boron nanotubes

Analysis of a Productive Topological Index Correlated to Fullerenes’ Physical Properties

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