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Issue DateTitleAuthor(s)
2005Adsorption of atomic oxygen and nitrogen at β-cristobalite (100): a density functionaly theory studyArasa Cid, Carina; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
2008Classical dynamics study of atomic oxygen sticking on the β-cristobalite (100) surfaceArasa Cid, Carina; Busnengo, H. F.; Salin, A.; Sayós Ortega, Ramón
24-Feb-2002The lowest doublet and quartet potential energy surfaces involved in the N(4S) + O2 reaction. II. Ab initio study of the C2v-symmetry insertion mechanismGonzález Pérez, Miguel; Oliva, Carolina; Sayós Ortega, Ramón
5-Apr-2000Theoretical 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
2007A density functional study of atomic oxygen and nitrogen adsorption over α-alumina (0001)Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
15-Jul-2009Eley-Rideal reaction dynamics between O atoms on β-cristobalite (100) surface: a new interpolated potential energy surface and classical trajectory studyArasa Cid, Carina; Morón Tejero, Víctor; Busnengo, H. F.; Sayós Ortega, Ramón
10-Jul-2001The lowest doublet and quartet potential energy surfaces involved in the N(4S) + O2 reaction. I. Ab initio calculations for the Cs-symmetry (2A', 4A') abstraction and insertion reaction mechanismsSayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel