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Error-consistent segmented contracted all-electron relativistic basis sets of double- and triple-zeta quality for NMR

Yannick J Franzke1, Robert Treß1, Tobias M Pazdera1

  • 1Karlsruhe Institute of Technology (KIT), Institute of Physical Chemistry, Kaiserstraße 12, 76131 Karlsruhe, Germany. yannick.franzke@partner.kit.edu.

Physical Chemistry Chemical Physics : PCCP
|July 19, 2019
PubMed

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