1. Dipòsit Digital de la Universitat de Barcelona

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Results 31-40 of 72 (Search time: 0.021 seconds).
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Issue DateTitleAuthor(s)
5-Apr-2018Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear ComplexesCosta Sala, Ramon; Reta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
30-Apr-2010Apparent Scarcity of Low-Density Polymorphs of Inorganic SolidsZwijnenburg, M. A.; Illas i Riera, Francesc; Bromley, Stefan Thomas
8-Aug-2018Tuning transition metal carbide activity by surface metal alloying: a case study on CO2 capture and activationLópez Berbel, Martí; Broderick, Luke; Carey, John J.; Viñes Solana, Francesc; Nolan, Michael; Illas i Riera, Francesc
7-Apr-2018On the prediction of core level binding energies in molecules, surfaces and solidsViñes Solana, Francesc; Sousa Romero, Carmen; Illas i Riera, Francesc
5-May-2018General concepts, assumptions, drawbacks, and misuses in kinetic Monte Carlo and microkinetic modeling simulations applied to computational heterogeneous catalysisPrats Garcia, Hèctor; Illas i Riera, Francesc; Sayós Ortega, Ramón
2016Consequences of electron correlation for XPS binding energies: Representative case for C(1s) and O(1s) XPS of COBagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc
21-Jul-2010Prospective role of multicenter bonding for efficient and selective hydrogen transportStradi, Daniele; Illas i Riera, Francesc; Bromley, Stefan Thomas
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
2-Jan-2014Ionic liquid chiral resolution: methyl 2-ammonium chloride propanoate on Al(854)S surfaceJalili, Nobar; Ansari, Narjes; Viñes Solana, Francesc; Illas i Riera, Francesc; Nazari, Fariba

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