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Theoretical study of the adsorption of benzene on coinage metals
The adsorption of benzene on the M(111), M(100) and M(110) surfaces of the coinage metals copper (M = Cu), silver (M = Ag) and gold (M = Au) is studied on the basis of density functional theory (DFT) calculations with an empirical dispersion correction (D3). Variants of the Perdew–Burke–Ernzerhof fu...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Beilstein Institute
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4142854/ https://www.ncbi.nlm.nih.gov/pubmed/25161736 http://dx.doi.org/10.3762/bjoc.10.185 |