Nuclear shieldings, including the Fermi-contact and pseudocontact terms, have been calculated with density functional theory (DFT) (nonrelativistic and relativistic) methods in several Ru(III) complexes, thereby predicting 1 H and 13 C paramagnetic shifts. A fair agreement with experimental values i
Predictions and Assignments of NMR Spectra for Strongly Paramagnetic Supramolecular Lanthanide Complexes: The Effect of the “Gadolinium Break”
✍ Scribed by Rigault, Stéphane; Piguet, Claude
- Book ID
- 126046696
- Publisher
- American Chemical Society
- Year
- 2000
- Tongue
- English
- Weight
- 35 KB
- Volume
- 122
- Category
- Article
- ISSN
- 0002-7863
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