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Issue Date	Title	Author(s)
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
17-Sep-2009	The effect of local environment on photoluminescence: a TD-DFT study of silanone groups on the surface of silica nanostructures	Zwijnenburg, M. A.; Sokol, A. A.; Sousa Romero, Carmen; Bromley, Stefan Thomas
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
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
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
2001	Optical properties of peroxy radicals in silica: Multiconfigurational perturbation theory calculations	Sousa Romero, Carmen; Graaf, Coen de; Pacchioni, Gianfranco
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.