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Dynamics of the Bulk Hydrated Electron from Many‐Body Wave‐Function Theory

The structure of the hydrated electron is a matter of debate as it evades direct experimental observation owing to the short life time and low concentrations of the species. Herein, the first molecular dynamics simulation of the bulk hydrated electron based on correlated wave‐function theory provide...

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Publicat a:Angew Chem Int Ed Engl
Autors principals: Wilhelm, Jan, VandeVondele, Joost, Rybkin, Vladimir V.
Format: Artigo
Idioma:Inglês
Publicat: John Wiley and Sons Inc. 2019
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6594240/
https://ncbi.nlm.nih.gov/pubmed/30776181
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/anie.201814053
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