Showing results 21 to 40 of 69
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| Issue Date | Title | Author(s) |
| 17-May-2016 | Atomic and molecular data for spacecraft re-entry plasmas | Celiberto, Roberto; Armenise, Iole; Cacciatore, M.; Capitelli, Mario; Esposito, Fabrizio; Gamallo Belmonte, Pablo; Janev, R. K.; Laganà, Antonio; Laporta, Vincenzo; Laricchiuta, Annarita; Lombardi, Andrea; Rutigliano, Maria; Sayós Ortega, Ramón; Tennyson, Jonathan; Wadehra, J. M. |
| 11-Nov-2011 | Atomic and molecular oxygen collision processes over some crystalline solids | Morón Tejero, Víctor |
| 28-Jan-2012 | Classical dynamics study of atomic oxygen over graphite (0001) with new interpolated and analytical potential energy surfaces | Morón Tejero, Víctor; Martin-Gondre, Ludovic; Crespos, Cédric; Larregaray, Pascal; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón |
| 2008 | Classical dynamics study of atomic oxygen sticking on the β-cristobalite (100) surface | Arasa Cid, Carina; Busnengo, H. F.; Salin, A.; Sayós Ortega, Ramón |
| 8-Oct-2019 | Combining soft-SAFT and COSMO-RS modeling tools to assess the CO2-SO2 separation using phosphonium-based ionic liquids | Alonso, Gerard; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; Llovell, F. |
| Oct-2016 | Comparing the catalytic activity of the water gas shift reaction on Cu(321) and Cu(111) surfaces: step sites do not always enhance the overall reactivity | Prats Garcia, Hèctor; Gamallo Belmonte, Pablo; Illas i Riera, Francesc; Sayós Ortega, Ramón |
| 15-Sep-2017 | Computational simulation study of the influence of faujasite Si/Al ratio on CO2 capture by temperature swing adsorption | Prats Garcia, Hèctor; Bahamón García, Daniel; Giménez i Font, Xavier; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón |
| 31-Jan-2020 | Critical effect of carbon vacancies on the reverse water gas shift reaction over vanadium carbide catalysts | Pajares, Arturo; Prats Garcia, Hèctor; Romero, Alexandre; Viñes Solana, Francesc; Ramírez de la Piscina, Pilar; Sayós Ortega, Ramón; Homs Martí, Narcís; Illas i Riera, Francesc |
| 5-Feb-2018 | Density functional theory-based adsorption isotherms for pure and flue gas mixtures on Mg-MOF-74. Application in CO2 capture swing adsorption processes | Alonso, Gerard; Bahamón García, Daniel; Keshavarz, Fatemeh; Giménez i Font, Xavier; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón |
| 28-Sep-2010 | DFT and kinetics study of O/O2 mixtures reacting over a graphite (0001) basal surface | Morón Tejero, Víctor; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón |
| 4-Jun-1998 | Dynamics of the N(4S) + NO(X2Π) → N2(X1Σ g+) + O(3P) atmospheric reaction on the 3A'' ground potential energy surface.III. Quantum dynamics study and comparison with quasiclassical and experimental results | Aguilar Navarro, Antonio; Gilibert, Miquel; Giménez i Font, Xavier; González Pérez, Miguel; Sayós Ortega, Ramón |
| 1998 | Dynamics of the N(4Su) + NO (X2Π) → N2 (X1Σg+) + O (3Pg) atmosferic reaction on the 3A'' potential energy surface. II. The effect of reagent translational, vibrational, and rotational energies | Gilibert, Miquel; Aguilar Navarro, Antonio; González Pérez, Miguel; Sayós Ortega, Ramón |
| 1992 | Dynamics of the N(4Su) + NO(X2Π) → N2(1Σg+) + O(3Pg) atmospheric reaction on the 3A'' ground potential energy surface. I. Analytical potential energy surface and preliminary quasiclassical trajectory calculations | Gilibert, Miquel; Aguilar Navarro, Antonio; González Pérez, Miguel; Mota Valeri, Fernando; Sayós Ortega, Ramón |
| 17-Sep-2012 | Dynamics of the oxygen molecules scattered from graphite (0001) surface and comparison with experimental data | Morón Tejero, Víctor; Martin-Gondre, Ludovic; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón |
| 11-Mar-2013 | Elementary reaction processes involving atomic and molecular oxygen on ZrB2 (0001)surface | Gamallo Belmonte, Pablo; Sayós Ortega, Ramón |
| 15-Jul-2009 | Eley-Rideal reaction dynamics between O atoms on β-cristobalite (100) surface: a new interpolated potential energy surface and classical trajectory study | Arasa Cid, Carina; Morón Tejero, Víctor; Busnengo, H. F.; Sayós Ortega, Ramón |
| 14-Jan-1989 | Estudio teórico de procesos elementales reactivos: reacciones del O(3P) con CS(X1E+) y CS2(X1Eg+) | Sayós Ortega, Ramón |
| 5-May-2018 | General concepts, assumptions, drawbacks, and misuses in kinetic Monte Carlo and microkinetic modeling simulations applied to computational heterogeneous catalysis | Prats Garcia, Hèctor; Illas i Riera, Francesc; Sayós Ortega, Ramón |
| 7-Jan-2002 | Influence of collision energy on the dynamics of the reaction O(1D) + CH4(X1A 1) → OH(X2Π) + CH3(X2 A2'') | Sayós Ortega, Ramón; Hernando, Jordi; Puyuelo, Maria P.; Enríquez, Pedro A.; González Pérez, Miguel |
| 2003 | Influence of the collision energy on the N(2D) + O2 → O(3P) + NO reaction dynamics. A QCT study involving four potential energy surfaces | Miquel, Irene; Hernando, Jordi; Sayós Ortega, Ramón; González Pérez, Miguel |
