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Simulating the ghost: quantum dynamics of the solvated electron

The nature of the bulk hydrated electron has been a challenge for both experiment and theory due to its short lifetime and high reactivity, and the need for a high-level of electronic structure theory to achieve predictive accuracy. The lack of a classical atomistic structural formula makes it excee...

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Bibliographische Detailangaben
Veröffentlicht in:Nat Commun
Hauptverfasser: Lan, Jingang, Kapil, Venkat, Gasparotto, Piero, Ceriotti, Michele, Iannuzzi, Marcella, Rybkin, Vladimir V.
Format: Artigo
Sprache:Inglês
Veröffentlicht: Nature Publishing Group UK 2021
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7859219/
https://ncbi.nlm.nih.gov/pubmed/33536410
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-021-20914-0
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