Relativistic Four-Component DFT Calculations of 1H NMR Chemical Shifts in Transition-Metal Hydride Complexes: Unusual High-Field Shifts Beyond the Buckingham-Stephens Model
Abstract
- Publication:
-
Journal of Physical Chemistry A
- Pub Date:
- June 2011
- DOI:
- 10.1021/jp202327z
- Bibcode:
- 2011JPCA..115.5654H