## Abstract The solvation structure of magnesium, zinc(II), and alkaline earth metal ions in __N__,__N__‐dimethylformamide (DMF) and __N__,__N__‐dimethylacetamide (DMA), and their mixtures has been studied by means of Raman spectroscopy and DFT calculations. The solvation number is revealed to be 6
✦ LIBER ✦
The Structure of Some Amine Solvates of Magnesium Bis(tetrahydroborate) and DFT Calculations on Solvates of Lithium Tetrahydroborate
✍ Scribed by Mathias Bremer; Heinrich Nöth; Marcus Warchhold
- Publisher
- John Wiley and Sons
- Year
- 2003
- Tongue
- English
- Weight
- 189 KB
- Volume
- 2003
- Category
- Article
- ISSN
- 1434-1948
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## Abstract The electronic structures of BiOX (X = F, Cl, Br, I) photocatalysts have been calculated with and without Bi 5__d__ states using the experimental lattice parameters, via the plane‐wave pseudopotential method based on density functional theory (DFT). BiOF exhibits a direct band gap of 3.