DFT Dissection of the Reduction Step in H2 Catalytic Production by [FeFe]-Hydrogenase-Inspired Models: Can the Bridging Hydride Become More Reactive Than the Terminal Isomer?

Inorganic Chemistry

Volumn 54, Issue 19, 2015, Pages 9529-9542

  Filippi, Giulia ^a   Arrigoni, Federica ^a   Bertini, Luca ^a   De Gioia, Luca ^a   Zampella, Giuseppe ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN; HYDROGENASE; IRON HYDROGENASE; IRON SULFUR PROTEIN;

BIOCATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; OXIDATION REDUCTION REACTION; QUANTUM THEORY; THERMODYNAMICS;

BIOCATALYSIS; HYDROGEN; HYDROGENASE; IRON-SULFUR PROTEINS; MODELS, MOLECULAR; OXIDATION-REDUCTION; QUANTUM THEORY; THERMODYNAMICS;

EID: 84943168179     PISSN: 00201669     EISSN: 1520510X     Source Type: Journal    
DOI: 10.1021/acs.inorgchem.5b01495     Document Type: Article

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