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Issue DateTitleAuthor(s)
17-Sep-2009The effect of local environment on photoluminescence: a TD-DFT study of silanone groups on the surface of silica nanostructuresZwijnenburg, M. A.; Sokol, A. A.; Sousa Romero, Carmen; Bromley, Stefan Thomas
3-Jul-2008Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methodsZwijnenburg, M. A.; Sousa Romero, Carmen; Sokol, A. A.; Bromley, Stefan Thomas