This article presents a discussion of the origin of the chemical shieldings, which is followed by a discussion on how they are calculated using state-of-the-art electronic structure methods. Several examples of quantum chemical calculations of chemical shieldings in common nuclei are presented to provide the reader with a general overview of the reliability of these calculations. The shortcomings of the current methods are finally discussed.
CITATION STYLE
Facelli, J. C. (2007). Modeling NMR Chemical Shifts. In Modern Magnetic Resonance (pp. 53–62). Springer Netherlands. https://doi.org/10.1007/1-4020-3910-7_6
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