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Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
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Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex

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Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using

Chandan Kumar1, Thomas Kjærgaard2, Trygve Helgaker1

  • 1Centre for Theoretical and Computational Chemistry (CTCC), Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway.

The Journal of Chemical Physics
|December 25, 2016
PubMed

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