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Issue DateTitleAuthor(s)
1-Jul-2015Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of 𝛿-Bi2O3Galván, D.H.; Núñez-González, R.; Rangel, R.; Alemany i Cahner, Pere; Posada-Amarillas, A.
13-Mar-2015Morphology effects in photoactive ZnO nanostructures: photooxidative activity of polar surfacesIglesias-Juez, Ana; Viñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Fernandez-Garcia, Marcos; Illas i Riera, Francesc
2015Methane capture at room temperature: adsorption on cubic d-MoC and orthorhombic b-Mo2C molybdenum carbide (001) surfacesPosada Pérez, Sergio; Politi, José Roberto S.; Viñes Solana, Francesc; Illas i Riera, Francesc
24-Aug-2015Transition metal adatoms on graphene: A systematic density functional studyManadé, Montserrat; Viñes Solana, Francesc; Illas i Riera, Francesc
2015Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree-Fock exchangeNotario Estévez, Almudena; Kozlov, Sergey; Viñes Solana, Francesc; Illas i Riera, Francesc
15-Dec-2015Unexpectedly large impact of van der Waals interactions on the description of heterogeneous catalyzed reactions: the water gas shift reaction on Cu(321) as a case examplePrats Garcia, Hèctor; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; Illas i Riera, Francesc

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