Mechanism of H2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides

Journal of the American Chemical Society

Volumn 138, Issue 29, 2016, Pages 9234-9245

  Ulloa, Olbelina A ^a   Huynh, Mioy T ^a   Richers, Casseday P ^a   Bertke, Jeffery A ^a   Nilges, Mark J ^a   Hammes Schiffer, Sharon ^a   Rauchfuss, Thomas B ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; HYDRIDES; ISOMERS; METALS; NICKEL; PROTONATION; REDUCTION;

COMPUTATIONAL STUDIES; DELOCALIZATIONS; DFT CALCULATION; DIHYDROGEN COMPLEXES; EPR SPECTROSCOPY; HYDROGEN EVOLUTION; METAL HYDRIDES; REDUCTIVE ACTIVATION;

IRON COMPOUNDS;

HYDROGEN; IRON; NICKEL; NICKEL IRON HYDROGENASE; SULFUR; HYDROGENASE; NICKEL-IRON HYDROGENASE; PROTON;

ARTICLE; CATALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; HYDROGEN BOND; HYDROGEN EVOLUTION; ISOMER; OXIDATION REDUCTION STATE; PROTON TRANSPORT; REDUCTION; STEREOCHEMISTRY; STOICHIOMETRY; THERMODYNAMICS; CHEMISTRY; ENZYME ACTIVE SITE; METABOLISM; MOLECULAR MODEL; OXIDATION REDUCTION REACTION; QUANTUM THEORY;

CATALYTIC DOMAIN; HYDROGEN; HYDROGENASE; MODELS, MOLECULAR; OXIDATION-REDUCTION; PROTONS; QUANTUM THEORY;

EID: 84979896338     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.6b04579     Document Type: Article

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