DFT characterization of the reaction pathways for terminal- to μ-hydride isomerisation in synthetic models of the [FeFe]-hydrogenase active site

Chemical Communications

Volumn 46, Issue 46, 2010, Pages 8824-8826

  Zampella, Giuseppe ^a   Fantucci, Piercarlo ^a   De Gioia, Luca ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN; HYDROGENASE; IRON DERIVATIVE;

ARTICLE; CATALYST; CHEMICAL REACTION; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVE SITE; ISOMERIZATION; REACTION ANALYSIS; SYNTHESIS;

EID: 78549239533     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/c0cc02821e     Document Type: Article

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