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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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Publicat a:Chemistry
Autors principals: Fernández, Israel, Holzmann, Nicole, Frenking, Gernot
Format: Artigo
Idioma:Inglês
Publicat: John Wiley and Sons Inc. 2020
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7702052/
https://ncbi.nlm.nih.gov/pubmed/32666598
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/chem.202002986
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