Computational study of the electronic structure and magnetic properties of the Ni–C state in [NiFe] hydrogenases including the second coordination sphere
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Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active SiteHydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides.Discovery of Dark pH-Dependent H(+) Migration in a [NiFe]-Hydrogenase and Its Mechanistic Relevance: Mobilizing the Hydrido Ligand of the Ni-C IntermediateTheoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state.Why is a proton transformed into a hydride by [NiFe] hydrogenases? An intrinsic reactivity analysis based on conceptual DFT.Experimental and DFT Investigations Reveal the Influence of the Outer Coordination Sphere on the Vibrational Spectra of Nickel-Substituted Rubredoxin, a Model Hydrogenase Enzyme.Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site.Theoretical Spectroscopy of the NiIIIntermediate States in the Catalytic Cycle and the Activation of [NiFe] Hydrogenases
P2860
Q36728724-CB3F8A32-0E63-4D81-ADA9-DA7A0E5E9EC3Q38880043-BA3CFD5B-1ACA-49A0-BDA0-F8C14F0635E1Q41428109-E194E02C-84C9-47AB-96C5-192C7D45FF08Q46456202-2308755D-4629-498F-8E49-081108F9A580Q47426316-E2CA3726-3DCD-41D3-8E0C-10B9034132A5Q48097816-013055AF-15E5-403B-B1FC-9EAD3B641B29Q49631041-FCDDA3CE-B37A-4226-B7C6-39996B030509Q58009684-0F1B7713-CF77-4A02-BC0A-88BEA5F390B4
P2860
Computational study of the electronic structure and magnetic properties of the Ni–C state in [NiFe] hydrogenases including the second coordination sphere
description
im Oktober 2012 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
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наукова стаття, опублікована в жовтні 2012
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name
Computational study of the ele ...... the second coordination sphere
@en
Computational study of the ele ...... the second coordination sphere
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type
label
Computational study of the ele ...... the second coordination sphere
@en
Computational study of the ele ...... the second coordination sphere
@nl
prefLabel
Computational study of the ele ...... the second coordination sphere
@en
Computational study of the ele ...... the second coordination sphere
@nl
P2860
P1476
Computational study of the ele ...... the second coordination sphere
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P2093
Mario Kampa
Maurice van Gastel
P2860
P2888
P304
P356
10.1007/S00775-012-0941-9
P577
2012-10-05T00:00:00Z