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The Mössbauer Parameters of the Proximal Cluster of Membrane-Bound Hydrogenase Revisited: A Density Functional Theory Study

[Image: see text] An unprecedented [4Fe-3S] cluster proximal to the regular [NiFe] active site has recently been found to be responsible for the ability of membrane-bound hydrogenases (MBHs) to oxidize dihydrogen in the presence of ambient levels of oxygen. Starting from proximal cluster models of a...

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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Tabrizi, Shadan Ghassemi, Pelmenschikov, Vladimir, Noodleman, Louis, Kaupp, Martin
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2015
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4819768/
https://ncbi.nlm.nih.gov/pubmed/26598030
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00854
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