Revisiting hollow all-carbon structures: Aromaticity and kinetic stability

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Date

2023

Document type

Artículo

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Investigación
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Authors

Yáñez Osses, Osvaldo Andrés., Pino Ríos, Ricardo.

Faculty

Facultad de Ingeniería y Negocios

Publisher

Elsevier Inc.

URI

http://repositorio.udla.cl/xmlui/handle/udla/1174, https://www.sciencedirect.com/science/article/abs/pii/S0925963523003825

DOI

https://doi.org/10.1016/j.diamond.2023.110057

Keywords

Carbon allotropes, Aromaticity, Electron localization function, Molecular dynamics, GNF2-xTB

Citation

Diamond and Related Materials, 136, 1 p.

Extent

1 página
109.3Kb

Abstract

In this work, the aromaticity of the so-called hollow carbon structures, previously proposed as an novel allotrope of carbon, has been revisited through the bifurcation values of the electron localiza...

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