Methodological Investigation for Hydrogen Addition to Small Cage Carbon Fullerenes

Hydrogenated small fullerenes (C<i><sub>n</sub></i>, <i>n</i> < 60) are of interest as potential astrochemical species, and as intermediates in hydrogen-catalysed fullerene growth. However, the computational identification of key stable species is difficult due...

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Autores principales: Yuri Tanuma, Toru Maekawa, Chris Ewels
Formato: article
Lenguaje:EN
Publicado: MDPI AG 2021
Materias:
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xTB
Acceso en línea:https://doaj.org/article/0d4a4e52f6de4b4ba902539a360a8ade
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