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| Issue Date | Title | Author(s) |
|---|---|---|
| 13-Mar-2015 | Morphology effects in photoactive ZnO nanostructures: photooxidative activity of polar surfaces | Iglesias-Juez, Ana; Viñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Fernandez-Garcia, Marcos; Illas i Riera, Francesc |
| 2015 | Methane capture at room temperature: adsorption on cubic d-MoC and orthorhombic b-Mo2C molybdenum carbide (001) surfaces | Posada Pérez, Sergio; Politi, José Roberto S.; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 4-Nov-2020 | 2D Hexagonal covalent organic radical frameworks as tunable correlated electron systems | Santiago Piera, Raul; Alcón Rovira, Isaac; Ribas Ariño, Jordi; Deumal i Solé, Mercè; Moreira, Ibério de Pinho Ribeiro; Bromley, Stefan Thomas |
| 24-Feb-2002 | The lowest doublet and quartet potential energy surfaces involved in the N(4S) + O2 reaction. II. Ab initio study of the C2v-symmetry insertion mechanism | González Pérez, Miguel; Oliva, Carolina; Sayós Ortega, Ramón |
| 16-Sep-2019 | MXenes as promising catalysts for water dissociation | Gouveia, José D.; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc; Gomes, José R. B. |
| 31-Jan-2020 | Critical effect of carbon vacancies on the reverse water gas shift reaction over vanadium carbide catalysts | Pajares, Arturo; Prats Garcia, Hèctor; Romero, Alexandre; Viñes Solana, Francesc; Ramírez de la Piscina, Pilar; Sayós Ortega, Ramón; Homs Martí, Narcís; Illas i Riera, Francesc |
| 6-Sep-2014 | Bulk properties of transition metals: a challenge for the design of universal density functionals | Janthon, Patanachai; Luo, Sijie (Andy); Kozlov, Sergey; Viñes Solana, Francesc; Limtrakul, Jumras; Truhlar, Donald G.; Illas i Riera, Francesc |
| 7-Jan-2021 | Exfoliation Energy as a Descriptor of MXenes Synthesizability and Surface Chemical Activity | Dolz Garcia, Daniel; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 31-May-2019 | Revising the common understanding of metamagnetism in the molecule-based bisdithiazolyl BTDMe compound | Vela Llausí, Sergi; Jornet Somoza, Joaquim; Deumal i Solé, Mercè |
| 3-Jul-2008 | Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods | Zwijnenburg, M. A.; Sousa Romero, Carmen; Sokol, A. A.; Bromley, Stefan Thomas |
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