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Energetics and reactivity of small beryllium deuterides

Enthalpies and free energies of reaction for small neutral and charged beryllium deuterides BeD, BeD(2), and BeD(3) that have been calculated are reported for a temperature range of 0 K to 1000 K. We discuss probable dissociation channels and possible ways of producing BeD by localizing the relevant...

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Publicado en:J Mol Model
Main Authors: Sukuba, Ivan, Kaiser, Alexander, Huber, Stefan E., Urban, Jan, Probst, Michael
Formato: Artigo
Idioma:Inglês
Publicado: Springer Berlin Heidelberg 2017
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC5487901/
https://ncbi.nlm.nih.gov/pubmed/28623599
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-017-3362-4
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