| Literature DB >> 17047815 |
David E Schwab1, Cedric Tard, Eric Brecht, John W Peters, Christopher J Pickett, Robert K Szilagyi.
Abstract
X-ray absorption spectroscopic measurements and density functional calculations suggest that the hydrogenase H-cluster is best described as an electronically inseparable 6Fe-cluster due to extensive delocalization of frontier molecular orbitals of the iron centres, sulfide and the non-innocent dithiolate ligands.Entities:
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Year: 2006 PMID： 17047815 DOI： 10.1039/b604994j
Source DB: PubMed Journal: Chem Commun (Camb) ISSN： 1359-7345 Impact factor: 6.222