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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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Detalhes bibliográficos
Publicado no:Angew Chem Int Ed Engl
Main Authors: Wilhelm, Jan, VandeVondele, Joost, Rybkin, Vladimir V.
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2019
Assuntos:
Acesso em linha: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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