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Items for "Ab-Initio Calculations"

Compton Profiles of Hydrated Na+ and F- Ions

The effect of ion hydration on the Compton profiles of Na+ and F- ions each coordinated by six water molecules has been studied using density-functional theory...

Keywords: Compton Profile, Ab-Initio Calculations, Hydration of Ions

07/2006 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag