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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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Detalles Bibliográficos
Autores principales: Wilhelm, Jan, VandeVondele, Joost, Rybkin, Vladimir V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6594240/
https://www.ncbi.nlm.nih.gov/pubmed/30776181
http://dx.doi.org/10.1002/anie.201814053

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