Showing results 35 to 54 of 69
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| Issue Date | Title | Author(s) |
| 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 |
| 6-Dec-2016 | Kinetic Monte Carlo simulation of the water gas shift reaction on Cu(111) from density functional theory based calculations | Prats Garcia, Hèctor; Álvarez Falcón, Leny; Illas i Riera, Francesc; Sayós Ortega, Ramón |
| Jun-2022 | Lateral interactions effect in the kinetic Monte Carlo study of the CO2 hydrogenation reaction on Ni(111) | López Pajuelo, Aleix |
| 29-Nov-2019 | Models and Computational Methods Applied to Industrial Gas Separation Processes and Enhanced Oil Recovery | Alonso Benito, Gerard |
| 27-Nov-2012 | Molecular dynamics study of hydrogen atom recombination over silica, based on a new analytical DFT potential energy surface | Gamallo Belmonte, Pablo; Rutigliano, Maria; Orlandini, S.; Cacciatore, M.; Sayós Ortega, Ramón |
| 2014 | Molecular Physics of Elementary Processes relevant to Hypersonics: atom-molecule, molecule-molecule and atom-surface processes. | Laganà, Antonio; Lombardi, Andrea; Pirani, F.; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; Armenise, Iole; Cacciatore, M.; Esposito, Fabrizio; Rutigliano, Maria |
| 25-Mar-2019 | Monte Carlo based methods applied to heterogeneous catalysis and gas separation | Prats Garcia, Hèctor |
| 10-Nov-2023 | Multiscale modelling of CO2 hydrogenation reactions on Ni-based catalysts | Lozano Reis, Pablo |
| 24-Jun-2002 | New analytical (2A',4A') surfaces and theoretical rate constants for the N(4S) + O2 reaction | Sayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel |
| 2016 | Nous mètodes de captura i separació de CO2 aplicables a processos industrials | Alonso Benito, Gerard; Prats Garcia, Hèctor; Bahamón García, Daniel; Keshavarz, Fatemeh; Gamallo Belmonte, Pablo; Giménez i Font, Xavier; Sayós Ortega, Ramón |
| 30-Nov-2007 | Procesos químicos con oxigeno y nitrógeno sobre beta-cristobalita: estudio teórico desde primeros principios. | Arasa Cid, Carina |
| 22-Aug-2002 | Quantum dynamics of the N(4S) + O2 reaction on the X2A' and a4A' surfaces: reaction probabilities, cross sections, rate constants, and product distributions | Defazio, Paolo; Petrongolo, Carlo; Oliva, Carolina; González Pérez, Miguel; Sayós Ortega, Ramón |
| 2003 | Quantum reactive scattering calculations of cross sections and rate constants for the N(2D) + O2(X3Σg-) → O(3Π) + NO(X2Π) reaction | Miquel, Irene; González Pérez, Miguel; Sayós Ortega, Ramón; Balint-Kurti, Gabriel G.; Gray, Stephen P.; Goldfied, Evelyn M. |
| 2006 | Quantum real wave-packet dynamics of the N(4S) + NO (X2Π) → N2(X1Σg+) + O(3P) reaction on the ground and first excited triplet potential energy surfaces: Rate constants, cross sections and product distributions | Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; González Pérez, Miguel; Petrongolo, Carlo; Defazio, Paolo |
| 2003 | Quantum wave packet dynamics of the 13A'' N(4S) + NO(X2Π) → N2(X1Σg+)+ O(3P) reaction | Gamallo Belmonte, Pablo; González Pérez, Miguel; Sayós Ortega, Ramón; Petrongolo, Carlo |
