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The Valence Orbitals of the Alkaline‐Earth Atoms

Quantum chemical calculations of the alkaline‐earth oxides, imides and dihydrides of the alkaline‐earth atoms (Ae=Be, Mg, Ca, Sr, Ba) and the calcium cluster Ca(6)H(9)[N(SiMe(3))(2)](3)(pmdta)(3) (pmdta=N,N,N′,N′′,N′′‐pentamethyldiethylenetriamine) have been carried out by using density functional t...

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Detalles Bibliográficos
Autores principales: Fernández, Israel, Holzmann, Nicole, Frenking, Gernot
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7702052/
https://www.ncbi.nlm.nih.gov/pubmed/32666598
http://dx.doi.org/10.1002/chem.202002986