Imbalance-Based Irregularity Molecular Descriptors of Nanostar Dendrimers

Hussain, Zafar; Munir, Mobeen; Rafique, Shazia; Hussnain, Tayyab; Ahmad, Haseeb; Kwun, Young Chel; Kang, Shin Min

doi:10.3390/pr7080517

Cited by 8 publications

(5 citation statements)

References 34 publications

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“…Most recently, authors have computed irregularity indices of chemical substances [33][34][35][36]. Hussain et al established closed forms of the aforementioned irregularity indices for some benzenoid systems in [35] and some nanostar dendrimers in [36]. The present article can be treated as a continuation of the articles [35,36].…”

Section: Irregularity Indices For Thementioning

confidence: 92%

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Irregularity molecular descriptors of VC5C7[m,n] and HC5C7[m,n] nanotubes

Munir

2022

Front. Phys.

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Scientific organizations are creating carbon nanotube-based composites like VC5C7[m,n] and HC5C7[m,n], which indicate significant response against voltage. Imbalance-based irregularity indices determine the degree of irregularity of a certain molecular structure and, as a result, determine the properties of a molecular substance. In this article, we aim to compute irregularity indices of two nanotubes, VC5C7[m,n] and HC5C7[m,n]. We produce formulas for the irregularity of these two nanotubes, which are functions depending on the parameters of the structure m and n. We compare our results graphically and conclude that VC5C7[m,n] is more irregular than HC5C7[m,n].

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Section: Irregularity Indices For Thementioning

confidence: 92%

“…These applications pushed others to think in this direction. Most recently, authors have computed irregularity indices of chemical substances [33][34][35][36]. Hussain et al established closed forms of the aforementioned irregularity indices for some benzenoid systems in [35] and some nanostar dendrimers in [36].…”

Section: Irregularity Indices For Thementioning

confidence: 99%

Irregularity molecular descriptors of VC5C7[m,n] and HC5C7[m,n] nanotubes

Munir

2022

Front. Phys.

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“…Hussain et al given irregularity invariant of some well-known benzenoid systems in [11,12]. Liu et al [13,14] given some invariants of Eulerian graphs. The molecular pattern and topology of these three dendrimers are shown in…”

Section: Fig 1 Major Parts Of a Dendrimermentioning

confidence: 99%

Generalized Version of <i>ISI</i> Invariant for some Molecular Structures

Pattabiraman¹,

Kameswari

Seenivasan

2022

MSF

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“…In this work, we are interested in the irregularity indices of the molecular graphs of different types of dendrimers. For some topological aspects of different complex dendrimers structures, we refer the interested reader to [29][30][31][32][33][34][35][36][37]. We will restrict our attention to three dendrimers Polyamidoamine (PAMAM), Poly(EThyleneAmidoAmine) (PETAA), and poly(PropylETherIMine)(PETIM) dendrimers.…”

Section: Introductionmentioning

confidence: 99%

Comparison of Irregularity Indices of Several Dendrimers Structures

et al. 2019

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Irregularity indices are usually used for quantitative characterization of the topological structures of non-regular graphs. In numerous problems and applications, especially in the fields of chemistry and material engineering, it is useful to be aware of the irregularity of a molecular structure. Furthermore, the evaluation of the irregularity of graphs is valuable not only for quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) studies but also for various physical and chemical properties, including entropy, enthalpy of vaporization, melting and boiling points, resistance, and toxicity. In this paper, we will restrict our attention to the computation and comparison of the irregularity measures of different classes of dendrimers. The four irregularity indices which we are going to investigate are σ irregularity index, the irregularity index by Albertson, the variance of vertex degrees, and the total irregularity index.

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Imbalance-Based Irregularity Molecular Descriptors of Nanostar Dendrimers

Cited by 8 publications

References 34 publications

Irregularity molecular descriptors of VC5C7[m,n] and HC5C7[m,n] nanotubes

Irregularity molecular descriptors of VC5C7[m,n] and HC5C7[m,n] nanotubes

Generalized Version of <i>ISI</i> Invariant for some Molecular Structures

Comparison of Irregularity Indices of Several Dendrimers Structures

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