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Calculating NMR Chemical Shifts for Paramagnetic Metal Complexes from First-Principles

Frédéric Gendron1, Kamal Sharkas1, Jochen Autschbach1

  • 1Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260-3000, United States.

The Journal of Physical Chemistry Letters
|August 13, 2015
PubMed

Keywords:
NMR shiftab initio theoryactinide complexeshyperfine couplingparamagnetismrelativistic effects

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