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Dismantlement of ammonia upon interaction with Be ( n ) ( n  ≤ 10) clusters

The interaction of ammonia with Be( n ) (n < 1–10) clusters has been investigated by density functional theory and ab initio calculations. The main conclusion is that, regardless of the size of the Be cluster, neither the structure of ammonia nor that of the Be clusters are preserved due to a sys...

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Detalles Bibliográficos
Autores principales: Yáñez, Manuel, Ortíz‐Chi, Filiberto, Merino, Gabriel, Alkorta, Ibon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley & Sons, Inc. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10078787/
https://www.ncbi.nlm.nih.gov/pubmed/35297069
http://dx.doi.org/10.1002/jcc.26843