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.
Authors
M Stein
1
,
E van Lenthe
,
E J Baerends
,
W Lubitz
Affiliation
1
Max-Volmer-Institut für Biophysikalische Chemie und Biochemie, Technische Universität Berlin, Strasse des 17. Juni 135, 10623 Berlin, Germany.
PMID:
11403633
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