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NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations

G A de Wijs1, R Laskowski2, P Blaha3

  • 1Radboud University, Institute for Molecules and Materials, Heyendaalseweg 135, NL-6525 AJ Nijmegen, The Netherlands.

The Journal of Chemical Physics
|February 17, 2017
PubMed

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