1. Dipòsit Digital de la Universitat de Barcelona

Search


Current filters:
Start a new search
Add filters:

Use filters to refine the search results.

 | 
Results 1-10 of 35 (Search time: 0.018 seconds).
Item hits:
Issue DateTitleAuthor(s)
5-Jan-2018Theoretical evidence for the direct 3MLCT-HS deactivation in the light-induced spin crossover of Fe(II)-polypyridyl complexesSousa Romero, Carmen; Llunell Marí, Miquel; Domingo, Alex; Graaf, Coen de
7-Apr-2018On the prediction of core level binding energies in molecules, surfaces and solidsViñes Solana, Francesc; Sousa Romero, Carmen; Illas i Riera, Francesc
30-Nov-2017Theoretical study of the light-induced spin crossover mechanism in [Fe(mtz)6]2+ and [Fe(phen)3]2+Sousa Romero, Carmen; Graaf, Coen de; Rudavskyi, Andrii; Broer, Ria
6-Apr-2018Effect of second-order spin-orbit coupling on the interaction between spin states in spin-crossover systemsSousa Romero, Carmen; Domingo, Alex; Graaf, Coen de
19-Jul-2019Approaching multiplet splitting in X-ray photoelectron spectra by density functional theory methods: NO and O2 molecules as examplesSousa Romero, Carmen; Bagus, Paul S.; Illas i Riera, Francesc
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
5-May-2005A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbidesViñes Solana, Francesc; Sousa Romero, Carmen; Liu, Ping; Rodríguez, José A.; Illas i Riera, Francesc
1-Oct-2004Optical properties of Cu nano-clusters supported on MgO(100)Del Vitto, Annalisa; Sousa Romero, Carmen; Illas i Riera, Francesc; 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
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

Discover