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Issue Date	Title	Author(s)
3-Jan-2008	Dynamic ion pairs in the adsorption of isolated water molecules on alkaline-earth oxide (001) surfaces	Carrasco Rodríguez, Javier; Illas i Riera, Francesc; López, Núria (López Alonso)
5-May-2005	A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides	Viñes Solana, Francesc; Sousa Romero, Carmen; Liu, Ping; Rodríguez, José A.; Illas i Riera, Francesc
1-Oct-2004	Optical properties of Cu nano-clusters supported on MgO(100)	Del Vitto, Annalisa; Sousa Romero, Carmen; Illas i Riera, Francesc; Pacchioni, Gianfranco
2000	Electric field effects on the ionic-neutral curve crossing of alkali halide molecules	Sousa Romero, Carmen; Domínguez-Ariza, David; Graaf, Coen de; Illas i Riera, Francesc
2001	On the accurate prediction of the optical absorption energy of F-centers inMgO from explicitly correlated ab initio cluster model calculations	Sousa Romero, Carmen; Illas i Riera, Francesc
2000	Magnitude of the First and Second Neighbour Magnetic Interactions in the Spin Chain Compound Li2CuO2	Graaf, Coen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
24-Jun-2004	Combining molecular dynamics and ab initio quantum-chemistry to describe electron transfer reactions in electrochemical environments	Domínguez-Ariza, David; Hartnig, Christoph; Sousa Romero, Carmen; Illas i Riera, Francesc
21-Aug-2006	Optical absorption and luminescence energies of F centers in CaO from ab initio embedded cluster calculations	Carrasco Rodríguez, Javier; Sousa Romero, Carmen; Illas i Riera, Francesc; Sushko, P.V.; Shluger, A.L.
30-Nov-2006	Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S	Torres, D.; Carro, P.; Salvarezza, R. C.; Illas i Riera, Francesc
13-Nov-2001	The adsorption of nitromethane on the Au(111) surface	Gomes, José R. B.; Illas i Riera, Francesc