Relativistic DFT calculations of the paramagnetic intermediates of [NiFe] hydrogenase. Implications for the enzymatic mechanism

J Am Chem Soc. 2001 Jun 20;123(24):5839-40. doi: 10.1021/ja005808y.
No abstract available

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalytic Domain*
  • Desulfovibrio / enzymology
  • Hydrogenase / chemistry*
  • Magnetics
  • Models, Molecular

Substances

  • nickel-iron hydrogenase
  • Hydrogenase