## Abstract Both zero‐point and classical thermal effects on the chemical shift of transition metals have been calculated at appropriate levels of density functional theory for a number of complexes of titanium, vanadium, manganese and iron. The zero‐point effects were computed by applying a pertur
Rovibrational Corrections to Transition Metal NMR Shielding Constants
✍ Scribed by Michael Bühl; Petra Imhof; Michal Repisky
- Publisher
- John Wiley and Sons
- Year
- 2004
- Tongue
- English
- Weight
- 90 KB
- Volume
- 5
- Category
- Article
- ISSN
- 1439-4235
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