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

Roldan, A; Manel Ricart, J; Illas, F; (2009) Influence of the exchange-correlation potential on the description of the molecular mechanism of oxygen dissociation by Au nanoparticles. THEORETICAL CHEMISTRY ACCOUNTS , 123 (1-2) 119 - 126. 10.1007/s00214-009-0540-1.

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Type:Article
Title:Influence of the exchange-correlation potential on the description of the molecular mechanism of oxygen dissociation by Au nanoparticles
DOI:10.1007/s00214-009-0540-1
Keywords:Nanogold, Nanocatalysis, DFT, O(2) dissociation
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

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