| Article ID | Journal | Published Year | Pages | File Type | 
|---|---|---|---|---|
| 5416666 | Journal of Molecular Structure: THEOCHEM | 2010 | 4 Pages | 
Abstract
												59Co NMR shielding tensor Ï calculation using perturbation theory within the framework of Ligand Field-Density Functional Theory (LF-DFT) [1] is implemented for transition-metal complexes as an extension of the LF-DFT methodology. We give some first results for absolute and relative shielding tensors, which are in a good agreement with experimental results as well as with other theoretical calculations.
											Keywords
												
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											Authors
												F. Senn, C.A. Daul, 
											