Revisiting hollow all-carbon structures: Aromaticity and kinetic stability

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Date

2023-06

Document type

journal article

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Investigación
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Authors

Yanez, Osvaldo, Pino Rios, Ricardo

Publisher

Elsevier BV

URI

https://repositorio.udla.cl/handle/udla/1174

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, 110057. https://doi.org/10.1016/j.diamond.2023.110057

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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