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• W2034752401 endingPage "917" @default.
• W2034752401 startingPage "914" @default.
• W2034752401 abstract "Water-cluster anions can serve as a bridge to understand the transition from gaseous species to the bulk hydrated electron. However, debate continues regarding how the excess electron is bound in (H2O)-n, as an interior, bulklike, or surface electronic state. To address the uncertainty, the properties of (H2O)-n clusters with 20 to 200 water molecules have been evaluated by mixed quantum-classical simulations. The theory reproduces every observed energetic, spectral, and structural trend with cluster size that is seen in experimental photoelectron and optical absorption spectra. More important, surface states and interior states each manifest a characteristic signature in the simulation data. The results strongly support assignment of surface-bound electronic states to the water-cluster anions in published experimental studies thus far." @default.
• W2034752401 created "2016-06-24" @default.
• W2034752401 creator A5000410825 @default.
• W2034752401 creator A5002781303 @default.
• W2034752401 creator A5082385469 @default.
• W2034752401 date "2005-08-05" @default.
• W2034752401 modified "2023-10-02" @default.
• W2034752401 title "Characterization of Excess Electrons in Water-Cluster Anions by Quantum Simulations" @default.
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• W2034752401 doi "https://doi.org/10.1126/science.1115808" @default.
• W2034752401 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16081731" @default.
• W2034752401 hasPublicationYear "2005" @default.
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