New insights in the electrocatalytic proton reduction and hydrogen oxidation by bioinspired catalysts: A DFT investigation

Journal of Physical Chemistry A

Volumn 114, Issue 43, 2010, Pages 11861-11867

  Kachmar, Ali ^a   Vetere, Valentina ^a,b   Maldivi, Pascale ^a   Franco, Alejandro A ^a  

^a CEA GRENOBLE   (France)

^b UNIVERSITÉ DE TOULOUSE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BIO-INSPIRED; BIOINSPIRED CATALYSTS; CATALYTIC SPECIES; CONFORMATIONAL BARRIERS; DFT STUDY; ELECTROCATALYTIC; ENERGY MINIMA; FREQUENCY CALCULATIONS; GASPHASE; HYDROGEN OXIDATION; HYDROGENASES; PROTON REDUCTION; PROTONATED; REACTION MECHANISM; REACTIVE SPECIES; ZERO-POINT ENERGIES;

ISOMERS; PROTONS; REACTION KINETICS;

CONFORMATIONS;

HYDROGEN; HYDROGENASE; NICKEL; NITROGEN; PHOSPHORUS; PROTON;

ARTICLE; BIOMIMETICS; CATALYSIS; CHEMISTRY; CONFORMATION; ELECTROCHEMISTRY; METABOLISM; OXIDATION REDUCTION REACTION; QUANTUM THEORY; STEREOISOMERISM;

BIOMIMETICS; CATALYSIS; ELECTROCHEMISTRY; HYDROGEN; HYDROGENASE; MOLECULAR CONFORMATION; NICKEL; NITROGEN; OXIDATION-REDUCTION; PHOSPHORUS; PROTONS; QUANTUM THEORY; STEREOISOMERISM;

EID: 78049492296     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp107104k     Document Type: Article

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