Showing results 59 to 69 of 69
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| Issue Date | Title | Author(s) |
| 1991 | Stereodynamical studies of velocity aligned photofragments | Brouard, M.; Duxon, S. P.; Enríquez, Pedro A.; Sayós Ortega, Ramón; Simons, J. P. |
| 10-Jul-2001 | The 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 mechanisms | Sayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel |
| 24-Feb-2002 | The lowest doublet and quartet potential energy surfaces involved in the N(4S) + O2 reaction. II. Ab initio study of the C2v-symmetry insertion mechanism | González Pérez, Miguel; Oliva, Carolina; Sayós Ortega, Ramón |
| 1991 | Theoretical characterization of transition state dynamical resonances in heavy-light-heavy reactions | Aguilar Navarro, Antonio; Albertí i Wirsing, Margarida; Blasco, R.; Gilibert, Miquel; Giménez i Font, Xavier; González Pérez, Miguel; Lucas Alcorta, José María; Prieto, M.; Sayós Ortega, Ramón; Solé, Albert (Solé Sabaté) |
| 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 |
| 6-Nov-2012 | Theoretical study of the dynamics and kinetics of the O + CS → CO + S chemical laser reaction, where CO shows a very high vibrational excitation | Gamallo Belmonte, Pablo; Francia, Rafael; Martínez Ruiz, Rodrigo; Sayós Ortega, Ramón; González Pérez, Miguel |
| 12-Oct-2000 | Theoretical study of the dynamics, stereodynamics and microscopic mechanism of the O(1D) + CH4(X1A 1) → OH(X2Π) + CH3(X2 A2'') reaction | González Pérez, Miguel; Hernando, Jordi; Puyuelo, Maria P.; Sayós Ortega, Ramón |
| 9-Aug-2020 | Transition metal atoms encapsulated within microporous Silicalite-1 zeolite: A systematic computational study | Prats Garcia, Hèctor; Alonso Benito, Gerard; Sayós Ortega, Ramón; Gamallo Belmonte, Pablo |
| 15-Dec-2015 | Unexpectedly large impact of van der Waals interactions on the description of heterogeneous catalyzed reactions: the water gas shift reaction on Cu(321) as a case example | Prats Garcia, Hèctor; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; Illas i Riera, Francesc |
| 1-May-2017 | y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes | Prats Garcia, Hèctor; Bahamón García, Daniel; Alonso, Gerard; Giménez i Font, Xavier; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón |
| 29-Oct-2021 | Zeolite-encapsulated single-atom catalysts for efficient CO2 conversion | Alonso, Gerard; López Marne, Estefanía; Huarte Larrañaga, Fermín; Sayós Ortega, Ramón; Prats Garcia, Hèctor; Gamallo Belmonte, Pablo |
