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• W1609966290 startingPage "7955" @default.
• W1609966290 abstract "Two stable products of reactions of water molecules with the Al3O3− cluster, Al3O4H2− and Al3O5H4−, are studied with electronic structure calculations. There are several minima with similar energies for both anions and the corresponding molecules. Dissociative absorption of a water molecule to produce an anionic cluster with hydroxide ions is thermodynamically favored over the formation of Al3O3−(H2O)n complexes. Vertical electron detachment energies of Al3O4H2− and Al3O5H4− calculated with ab initio electron propagator methods provide a quantitative interpretation of recent anion photoelectron spectra. Contrasts and similarities in these spectra may be explained in terms of the Dyson orbitals associated with each transition energy." @default.
• W1609966290 created "2016-06-24" @default.
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• W1609966290 date "2004-04-13" @default.
• W1609966290 modified "2023-09-27" @default.
• W1609966290 title "Products of the addition of water molecules to Al3O3− clusters: Structure, bonding, and electron binding energies in Al3O4H2−, Al3O5H4−, Al3O4H2, and Al3O5H4" @default.
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• W1609966290 doi "https://doi.org/10.1063/1.1689648" @default.
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• W1609966290 hasPublicationYear "2004" @default.
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