Showing results 43 to 62 of 69
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| Issue Date | Title | Author(s) |
| 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 |
| 9-Apr-2010 | Quasiclassical dynamics and kinetics of the N + NO → N+O, NO+N atmospheric reactions | Gamallo Belmonte, Pablo; Martínez Ruiz, Rodrigo; Sayós Ortega, Ramón; González Pérez, Miguel |
| 22-May-2012 | Quasiclassical trajectory dynamics study of atomic oxygen collisions on an O-preadsorbed graphite (0001) surface with a new analytical potential energy surface | Morón Tejero, Víctor; Martin-Gondre, Ludovic; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón |
| 16-Mar-2014 | ReaxFF molecular dynamics simulations of CO collisions on an O-preadsorbed silica surface | Gamallo Belmonte, Pablo; Prats Garcia, Hèctor; Sayós Ortega, Ramón |
| 22-Sep-2011 | Recombination and chemical energy accommodation coefficients from chemical dynamics simulations: O/O2 mixtures reacting over a β-cristobalite (001) surface | Morón Tejero, Víctor; Gamallo Belmonte, Pablo; Martin-Gondre, Ludovic; Crespos, Cédric; Larregaray, Pascal; Sayós Ortega, Ramón |
| 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) |
