Computation of Neighborhood M-Polynomial of Three Classes of Polycyclic Aromatic Hydrocarbons

Govardhan, S.; Santiago, Roy; Prabhu, S.; Siddiqui, Muhammad Kamran

doi:10.1080/10406638.2022.2103576

Cited by 7 publications

(5 citation statements)

References 57 publications

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“…This work focusses on M-polynomial of multilayered graphene from which eleven degree based topological indices are derived. There has been a lot of research on single layer of graphene till date in the field of chemical graph theory [24][25][26][27][28][29][30][31][32]. Motivated by the numerous applications discussed above led to the study of multilayerd graphene.…”

Section: Motivationmentioning

confidence: 99%

Comparative study of multilayered graphene using numerical descriptors through M-polynomial

et al. 2023

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Molecular descriptors play a powerful role in encoding the informationof a chemical compound using its molecular structure based on a definedalgorithm. Regardless of the evolution in drug design, the main tool usedin discovering the lead molecules of a drug refers to the use of topologicaldescriptors. This article focusses on M-polynomial of multilayered graphene,viz., monolayer, bilayer and trilayer. Using the M-polynomial, eleven degreebasedtopological indices are derived for the said three structures. 3D-plotof the polynomials shows variation among the three types of graphene. Thenumerical and graphical comparison of the indices for varying values of n aretabulated for better understanding.

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Section: Motivationmentioning

confidence: 99%

Comparative study of multilayered graphene using numerical descriptors through M-polynomial

et al. 2023

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“…According to Kirmani et al, the neighborhood second-modified Zagreb index is the most accurate way to estimate the index for the molar refractivity and polarizability properties of COVID-19 medicines [33]. For various chemical graphs, NM-polynomials and these molecular descriptors were investigated [34][35][36][37][38][39].…”

Section: M-polynomial and Nm-polynomialmentioning

confidence: 99%

“…According to Kirmani et al, the neighborhood second‐modified Zagreb index is the most accurate way to estimate the index for the molar refractivity and polarizability properties of COVID‐19 medicines [33]. For various chemical graphs, NM‐polynomials and these molecular descriptors were investigated [34–39]. These indices, which are making processes, represent several physico‐chemical characteristics of chemical compounds, including boiling point, the heat of evaporation, and the heat of formation, chromatographic retention periods, surface tension, and vapor pressure.…”

Section: Introductionmentioning

confidence: 99%

Computation of degree‐based topological indices for the complex structure of ruthenium bipyridine

Abirami,

Raj,

Siddiqui

et al. 2023

Int J of Quantum Chemistry

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In graph theory, a topological index is an important descriptor that helps analyze the physicochemical properties of the structure of chemical compounds through a chemical graph. Degree‐based topological indices have been extensively studied and linked to a variety of chemical properties. This work aims to construct a complex ruthenium‐bipyridine polymer structure involving triphenylamine, which will be useful in the manufacture of organic light‐emitting diodes, solar cells, organic field‐effect transistors, and photorefractive materials, especially as hole transport material. In order to study this novel complex ruthenium bipyridine structure, we employ a reliable mathematical tool called M‐polynomial and NM‐polynomial of the topological index, which displays some physical and chemical properties in numerical form.

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“…These topological indices allow for the most precise calculation of the heat of formation of alkanes as well as the total p-electron energy of molecules. The reader might turn to references [14][15][16][17][18][19][20][21][22][23][24] for further details about the most current work on degree-based topological descriptors.…”

Section: Introductionmentioning

confidence: 99%

Computation of reverse neighbourhood degree-based topological indices for the transition metal phthalocyanine polymers (poly-TMPc)

Abirami,

Raj,

Siddiqui

2024

Phys. Scr.

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In this article, we discuss the reverse neighbourhood degree-based topological indices for the transition metal phthalocyanine polymers (poly- TMPc). Degree-based topological indices have been extensively studied and linked to a variety of chemical properties. An even more recently established methodology for assessing chemical systems and geometries is the use of numerical descriptors based on the degree of definition defined by the reverse-degree concept technique. It highlights molecular characteristics as numerical descriptors based on the reverse-degree concept's degree of definition and delivers numerical descriptors in algebraic form. On the other hand, due to their high catalytic activity, photostability, resistance to severe environments, and adaptable properties, transition metal phthalocyanines are a fascinating class of organic semiconductors. Furthermore, different types of reverse neighbourhood topological indices, such as the augmented Zagreb index, first and second Zagreb indexes, and Randic ́ indexes, are defined and used to assess the complexity, stability, and other properties of poly-TMPc(m,n).

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Computation of Neighborhood M-Polynomial of Three Classes of Polycyclic Aromatic Hydrocarbons

Cited by 7 publications

References 57 publications

Comparative study of multilayered graphene using numerical descriptors through M-polynomial

Comparative study of multilayered graphene using numerical descriptors through M-polynomial

Computation of degree‐based topological indices for the complex structure of ruthenium bipyridine

Computation of reverse neighbourhood degree-based topological indices for the transition metal phthalocyanine polymers (poly-TMPc)

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