Selective oxidation of styrene on an oxygen-adsorbed Au(111) : A density functional theory study
The reaction mechanism for the styrene selective oxidation on the oxygen preadsorbed Au(111) surface has been studied by the density functional theory calculation with the periodic slab model. The calculated results showed that the process of reaction includes two steps: forming the oxametallacycle...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 30(2009), 3 vom: 10. Feb., Seite 438-46 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2009
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Styrene 44LJ2U959V Gold 7440-57-5 Oxygen S88TT14065 |
| Online verfügbar |
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