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Issue DateTitleAuthor(s)
2003Ground- and excited-state properties of M-center oxygen vacancy aggregates in the bulk and the surface of MgODomínguez-Ariza, David; Sousa Romero, Carmen; Illas i Riera, Francesc; Ricci, Davide; Pacchioni, Gianfranco
2000Electric field effects on the ionic-neutral curve crossing of alkali halide moleculesSousa Romero, Carmen; Domínguez-Ariza, David; Graaf, Coen de; Illas i Riera, Francesc
24-Jun-2004Combining molecular dynamics and ab initio quantum-chemistry to describe electron transfer reactions in electrochemical environmentsDomínguez-Ariza, David; Hartnig, Christoph; Sousa Romero, Carmen; Illas i Riera, Francesc