Structure and Thermodynamics of Uranium(VI) Complexes in the Gas Phase: A Comparison of Experimental and ab Initio Data
β Scribed by Privalov, Timofei; Schimmelpfennig, Bernd; Wahlgren, Ulf; Grenthe, Ingmar
- Book ID
- 121367941
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 66 KB
- Volume
- 106
- Category
- Article
- ISSN
- 1089-5639
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract All the possible uranium(VI, V, IV) oxides, fluorides and oxofluorides were studied theoretically by using density functional theory (DFT) in the generalised gradient approximation (GGA), and three different relativistic methods (allβelectron scalar four component Dyall RESC method (AE)
The deprotonation energies of benzene, chlorobenzene, all di-, tri-, tetrachlorobenzenes, and pentachlorobenzene have been determined in the gas phase using a Fourier transform ion cyclotron resonance mass spectrometer. The values measured differ only slightly, though significantly, from the corresp