Influence of the exchange-correlation potential on the description of the molecular mechanism of oxygen dissociation by Au nanoparticles

Theoretical Chemistry Accounts

Volumn 123, Issue 1-2, 2009, Pages 119-126

  Roldán, Alberto ^a,b   Ricart, Josep Manel ^b   Illas, Francesc ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITAT ROVIRA I VIRGILI   (Spain)

Author keywords

DFT; Nanocatalysis; Nanogold; O2 dissociation

Indexed keywords

EID: 67349220461     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0540-1     Document Type: Article

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