Effect of dehydration on sulfate coordination and speciation at the Fe-(hydr)oxide-water interface : a molecular orbital/density functional theory and Fourier transform infrared spectroscopic investigation
The effect of dehydration on the coordination and speciation of sulfate at the Fe-(hydr)oxide-H2O interface was investigated using molecular orbital/density functional theory (MO/DFT) and Fourier transform infrared (FTIR) spectroscopy. IR frequency calculations were performed at the UB3LYP/6-31+G(d)...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 21(2005), 24 vom: 22. Nov., Seite 11071-8 |
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| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2005
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article |