The {Flexible|Versatile} embedding {method|technique|approach|strategy|system|process} introduced {in the|within the|inside the} preceding companion paper [Z. Shen and W. J. Glover, J. Chem. Phys. X, X (2021)] is applied to {explore|discover} the structure and dynamics {of the|from the|in the|on the|with the|of your} aqueous solvated electron at an all-electron density functional theory QM/MM level. {Compared to|In comparison to|In comparison with|When compared with} a one-electron mixed quantum/classical description, we {find|discover|locate|uncover|come across|obtain} the dynamics {of the|from the|in the|on the|with the|of your} many-electron model {of the|from the|in the|on the|with the|of your} hydrated electron exhibits enhanced coupling to water OH stretch modes. {Natural|All-natural|Organic} Bond Orbital {analysis|evaluation} reveals this coupling is {due to|because of|as a result of|on account of|resulting from|as a consequence of} {significant|substantial|considerable|important} population of water OH σ* orbitals, reaching 20%. {Based|Primarily based} on this, we {develop|create} a minimal frontier orbital {picture|image} {of the|from the|in the|on the|with the|of your} hydrated electron involving a cavity orbital and {important|essential|crucial|critical|significant|vital} coupling to 4-5 coordinating OH σ* orbitals. Implications for the interpretation {of the|from the|in the|on the|with the|of your} spectroscopy of this {interesting|fascinating|intriguing|exciting} species are discussed. Methyl 4-chloro-3-oxobutanoate Purity Price of (2-Fluoro-6-methylphenyl)boronic acid PMID:24507727
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