Roldan, A and Manel Ricart, J and 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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