Optimized Basis Sets for Calculation of Electron Paramagnetic Resonance Hyperfine Coupling Constants: aug-cc-pVTZ-J for the 3d Atoms Sc–Zn

Erik Donovan Hedegård, Jacob Kongsted, Stephan P. A. Sauer
  • Journal of Chemical Theory and Computation, December 2011, American Chemical Society (ACS)
  • DOI: 10.1021/ct200587k
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http://dx.doi.org/10.1021/ct200587k

The following have contributed to this page: Dr Stephan P. A. Sauer