Asian Journal of Nanoscience and Materials

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Volume 6 (2023)
Volume 5 (2022)
Volume 4 (2021)
Volume 3 (2020)
Volume 2 (2019)
Volume 1 (2018)

Keywords = Nucleus independent chemical shift (NICS)

Number of Articles: 1
Theoretical insights of the electronic structures, conductivity, and aromaticiy of Graphyne and Si-doped Graphynes
Theoretical insights of the electronic structures, conductivity, and aromaticiy of Graphyne and Si-doped Graphynes

Reza Ghiasi; Faegheh Aghazadeh Kozeh Kanani

Volume 5, Issue 4 , December 2022, , Pages 303-312

https://doi.org/10.26655/AJNANOMAT.2022.4.4

Abstract
  In the present research, the dipole moment, electronic structure, frontier orbitals energy, and aromaticity in the graphyne and Si-doped graphynes were studied with M062X quantum chemical ...  Read More