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Computation of NMR observables: Consequences of projector-augmented wave sphere overlap

J W Zwanziger1

  • 1Department of Chemistry, Dalhousie University, Halifax, NS B3H 4R2, Canada; Institute for Research in Materials, Dalhousie University, Halifax, NS B3H 4R2, Canada.

Solid State Nuclear Magnetic Resonance
|November 12, 2016
PubMed

Keywords:
Computation of NMR parametersDensity functional theoryEFG

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