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Calculation of NMR chemical shifts in organic solids: Accounting for motional effects

โœ Scribed by Dumez, Jean-Nicolas; Pickard, Chris J.


Book ID
120367079
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
439 KB
Volume
130
Category
Article
ISSN
0021-9606

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A simple method is described for the calculation of magic-angle-spinning (MAS) spectra of solids in the presence of chemical exchange. The method converges quickly, allowing rapid calculation of the spectra, Calculated spectra are given for molecular motion involving 2 and 6 sites.