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• W2014992052 abstract "Ab initio vibration spectra have been calculated for two-dimensional arrangements of intact and partially dissociated water molecules adsorbed on Ru(0001) and for an ice-Ih crystal. Dissociation of the non-hydrogen-bonding O-D bonds of a heavy-water bilayer on Ru(0001) eliminates the highest-energy O-D stretch feature, just as is seen in Denzler et al.'s (unpublished) sum frequency generation observations. Reduced zero-point energy, a consequence of replacing O-D stretch vibrations with softer Ru-D modes, stabilizes partially dissociated adlayers relative to adsorption structures made purely of intact water molecules." @default.
• W2014992052 created "2016-06-24" @default.
• W2014992052 creator A5028474007 @default.
• W2014992052 date "2003-01-28" @default.
• W2014992052 modified "2023-10-17" @default.
• W2014992052 title "Vibrations of a water adlayer on Ru(0001)" @default.
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• W2014992052 doi "https://doi.org/10.1103/physrevb.67.035420" @default.
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