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Dipòsit Digital de la Universitat de Barcelona
Browsing by Author Valero Montero, Rosendo
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Showing results 15 to 18 of 18
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Issue Date
Title
Author(s)
14-Sep-2020
Quantum equilibration of the double-proton transfer in a model system Porphine
Albareda, Guillermo; Riera, Arnau; González Pérez, Miguel; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Valero Montero, Rosendo; Tavernelli, Ivano
25-Jun-2018
Reliable and computationally affordable prediction of the energy gap of (TiO2)(n) (10 <= n <= 563) nanoparticles from density functional theory
Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc
5-Apr-2000
Theoretical investigation of the eight low-lying electronic states of the cis- and trans-nitric oxide dimers and its isomerization using multiconfigurational second-order perturbation theory (CASPT2)
Sayós Ortega, Ramón; Valero Montero, Rosendo; Anglada Rull, Josep Maria; González Pérez, Miguel
16-Jul-2018
Theoretical modeling of electronic excitations of gas-phase and solvated TiO2 nanoclusters and nanoparticles of interest in photocatalysis
Valero Montero, Rosendo; Morales García, Ángel; Illas i Riera, Francesc