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Electronic Structure and Electron Delocalization in Bare and Dressed Boron Pentamer Clusters

[Image: see text] The electronic structures of the lowest energy spin-states of the cationic, neutral and anionic bare boron pentamer clusters have been investigated by means of high level multiconfigurational type calculations, in view of the large static and dynamical electron correlation effects...

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Detalles Bibliográficos
Autores principales: Mercero, Jose M., Ugalde, Jesus M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9159651/
https://www.ncbi.nlm.nih.gov/pubmed/34114818
http://dx.doi.org/10.1021/acs.jpca.1c02305