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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...
Autores principales: | Wilhelm, Jan, VandeVondele, Joost, Rybkin, Vladimir V. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2019
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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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