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Mini Review: Quantum Confinement of Atomic and Molecular Clusters in Carbon Nanotubes

We overview our recent developments on a computational approach addressing quantum confinement of light atomic and molecular clusters (made of atomic helium and molecular hydrogen) in carbon nanotubes. We outline a multi-scale first-principles approach, based on density functional theory (DFT)-based...

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Detalles Bibliográficos
Autores principales:	de Lara-Castells, María Pilar, Mitrushchenkov, Alexander O.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8704106/ https://www.ncbi.nlm.nih.gov/pubmed/34957050 http://dx.doi.org/10.3389/fchem.2021.796890

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