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Comparing GIPAW with numerically exact chemical shieldings: The role of two-center contributions to the induced

Gilles A de Wijs1, Georg Kresse2, Remco W A Havenith3

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

The Journal of Chemical Physics
|December 23, 2021
PubMed

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