## Abstract ^49^Ti chemical shifts of TiX~4~ (X = Cl, Br, F), TiCl~__n__~Me~(4β__n__)~ (__n__ = 0β3), Ti(C~5~H~5~)~2~X~2~ (X = F, Cl, Br) and Ti(CO)~6~^2β^ were computed, using geometries optimized with the gradientβcorrected BP86 density functional, at the GIAO (gaugeβincluding atomic orbitals)βHa
Theoretical49Ti NMR chemical shifts
β Scribed by Rainer Koch; Torsten Bruhn
- Book ID
- 106239640
- Publisher
- Springer-Verlag
- Year
- 2006
- Tongue
- English
- Weight
- 142 KB
- Volume
- 12
- Category
- Article
- ISSN
- 1610-2940
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