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| Issue Date | Title | Author(s) |
|---|---|---|
| 25-Jun-2018 | Reliable and computationally affordable prediction of the energy gap of (TiO2)(n) (10 <= n <= 563) nanoparticles from density functional theory | Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc |
| 25-Jun-2014 | Vacancy patterning and patterning vacancies: controlled self-assembly of fullerenes on metal surfaces | Kaiser, Alexander; Viñes Solana, Francesc; Illas i Riera, Francesc; Ritter, Marcel; Hagelberg, Frank; Probst, Michael |
| 7-Feb-2018 | On the H-2 interactions with transition metal adatoms supported on graphene: a systematic density functional study | Manadé, Montserrat; Viñes Solana, Francesc; Gil, Adrià; Illas i Riera, Francesc |
| 23-Aug-2018 | Understanding W doping in wurtzite ZnO | Viñes Solana, Francesc; Iglesias-Juez, Ana; Fernandez-Garcia, Marcos; Illas i Riera, Francesc |
| 15-Jan-2018 | Combining theory and experiment for multitechnique characterization of activated CO2 on transition metal carbide (001) surfaces | Kunkel, Christian; Viñes Solana, Francesc; Ramírez, Pedro J.; Rodríguez, José A.; Illas i Riera, Francesc |
| 22-Dec-2017 | Biogas upgrading by transition metal carbides | Kunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 26-Sep-2019 | Optical properties and chemical ordering of Ag-Pt nanoalloys: a computational study | Olobardi, Sofia; Fortunelli, Alessandro; Stener, Mauro; Viñes Solana, Francesc; Vega Dominguez, Lorena; Neyman, Konstantin M. |
| 30-Jun-2014 | When reconstruction comes around: Ni, Cu, and Au adatoms on d-MoC(001) | Asara, Gian Giacomo; Viñes Solana, Francesc; Ricart, Josep M.; Rodríguez, José A.; Illas i Riera, Francesc |
| 1-Mar-2017 | Selectivity for CO2 over CH4 on a functionalized periodic mesoporous phenylene-silica explained by transition state theory | Kunkel, Christian; Viñes Solana, Francesc; Lourenco, Mirtha A. O.; Ferreira, Paula; Gomes, José R. B.; Illas i Riera, Francesc |
| 18-Dec-2014 | Fundamentals of methanol synthesis on metal carbide based catalysts: activation of CO2 and H2 | Posada Pérez, Sergio; Viñes Solana, Francesc; Rodríguez, José A.; Illas i Riera, Francesc |
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