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| Issue Date | Title | Author(s) |
|---|---|---|
| 1-Mar-2017 | Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides | Viñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc |
| 29-Jan-2017 | Predicting core level binding energies shifts: suitability of the projector augmented wave approach as implemented in VASP | Pueyo Bellafont, Noèlia; Viñes Solana, Francesc; Hieringer, Wolfgang; Illas i Riera, Francesc |
| 1-Feb-2017 | Adding pieces to the CO/Pt(111) puzzle: the role of dispersion | Janthon, Patanachai; Viñes Solana, Francesc; Sirijaraensre, Jakkapan; Limtrakul, Jumras; Illas i Riera, Francesc |
| 16-May-2017 | Effective and highly selective CO generation from CO2 using a polycrystalline α‑Mo2C catalyst | Liu, Xinayun; Kunkel, Christian; Ramírez de la Piscina, Pilar; Homs Martí, Narcís; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 11-Jan-2017 | Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitals | Viñes Solana, Francesc; Illas i Riera, Francesc |
| 28-Jul-2017 | Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk | Viñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Illas i Riera, Francesc; Bromley, Stefan Thomas |
| 28-Apr-2017 | ZnO powders as multi-facet single crystals | Haque, Francia; Chenot, Stéphane; Viñes Solana, Francesc; Illas i Riera, Francesc; Stankic, Slavica; Jupille, Jacques |
| 6-May-2017 | Functionalization of γ-graphyne by transition metal adatoms | Kim, Sunkyung; Ruiz Puigdollers, Antonio; Gamallo Belmonte, Pablo; Viñes Solana, Francesc; Lee, Jin Yong |
| 22-Dec-2017 | Biogas upgrading by transition metal carbides | Kunkel, Christian; Viñes Solana, Francesc; 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 |
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