Kinetic modeling of hydrogen conversion at [Fe] hydrogenase active-site models

Journal of Physical Chemistry B

Volumn 117, Issue 17, 2013, Pages 4806-4817

  Finkelmann, Arndt R ^a   Stiebritz, Martin T ^a   Reiher, Markus ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; HYDRIDES; KINETIC THEORY;

CATALYTIC EFFICIENCIES; COORDINATION SPHERE; DISPERSION INTERACTION; ELEMENTARY STEPS; FREE ENERGY SURFACE; HYDRIDE TRANSFERS; LIGAND SUBSTITUTION; REACTION PATHWAYS;

LIGANDS;

EID: 84877073274     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp312662y     Document Type: Article

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