| Analysis of product Doppler-broadened profiles generated from photoinitiated bimolecular reactions FJ Aoiz, M Brouard, PA Enriquez, R Sayos Journal of the Chemical Society, Faraday Transactions 89 (10), 1427-1434, 1993 | 108 | 1993 |
| Atomic and molecular data for spacecraft re-entry plasmas R Celiberto, I Armenise, M Cacciatore, M Capitelli, F Esposito, P Gamallo, ... Plasma Sources Science and Technology 25 (3), 033004, 2016 | 85 | 2016 |
| Ab initio ground potential energy surface, VTST and QCT study of the O (3 P)+ CH 4 (X 1 A 1)→ OH (X 2 Π)+ CH 3 (X 2 A 2 ″) reaction M González, J Hernando, J Millán, R Sayós The Journal of chemical physics 110 (15), 7326-7338, 1999 | 85 | 1999 |
| Theoretical investigation of the eight low-lying electronic states of the cis- and trans-nitric oxide dimers and its isomerization using multiconfigurational second … R Sayós, R Valero, JM Anglada, M González The Journal of Chemical Physics 112 (15), 6608-6624, 2000 | 83 | 2000 |
| Velocity-aligned photofragment dynamics: Stereodynamics in the reaction oxygen atom (1D)+ nitrous oxide. fwdarw. nitric oxide+ nitric oxide M Brouard, SP Duxon, PA Enriquez, R Sayos, JP Simons The Journal of Physical Chemistry 95 (21), 8169-8174, 1991 | 81 | 1991 |
| Critical effect of carbon vacancies on the reverse water gas shift reaction over vanadium carbide catalysts A Pajares, H Prats, A Romero, F Vines, PR de la Piscina, R Sayos, ... Applied Catalysis B: Environmental 267, 118719, 2020 | 76 | 2020 |
| New analytical surfaces and theoretical rate constants for the reaction R Sayós, C Oliva, M González The Journal of chemical physics 117 (2), 670-679, 2002 | 70 | 2002 |
| Dynamics of the N(4Su) + NO(X 2Π) → N2(X 1Σg+) + O(3Pg) atmospheric reaction on the 3A″ ground potential energy surface. I … M Gilibert, A Aguilar, M Gonzalez, F Mota, R Sayós The Journal of chemical physics 97 (8), 5542-5553, 1992 | 70 | 1992 |
| Ab initio derived analytical fits of the two lowest triplet potential energy surfaces and theoretical rate constants for the system P Gamallo, M González, R Sayós The Journal of chemical physics 119 (5), 2545-2556, 2003 | 63 | 2003 |
| Kinetic Monte Carlo simulations of the water gas shift reaction on Cu (1 1 1) from density functional theory based calculations H Prats, L Álvarez, F Illas, R Sayós Journal of catalysis 333, 217-226, 2016 | 62 | 2016 |
| Quasiclassical trajectory study of the N (4Su)+ O2 (X 3Σ− g)→ NO (X 2Π)+ O (3Pg) atmospheric reaction on the 2A′ ground potential energy surface employing an analytical … M Gilibert, A Aguilar, M González, R Sayós Chemical physics 172 (1), 99-115, 1993 | 62 | 1993 |
| Adsorption of atomic oxygen and nitrogen at β-cristobalite (100): a density functional theory study C Arasa, P Gamallo, R Sayós The Journal of Physical Chemistry B 109 (31), 14954-14964, 2005 | 61 | 2005 |
| Quantum reactive scattering calculations of cross sections and rate constants for the reaction I Miquel, M González, R Sayós, GG Balint-Kurti, SK Gray, EM Goldfield The Journal of chemical physics 118 (7), 3111-3123, 2003 | 54 | 2003 |
| Ab initio ground potential energy surface and quasiclassical trajectory study of the O (1 D)+ CH 4 (X 1 A 1)→ OH (X 2 Π)+ CH 3 (X 2 A 2 ″) reaction dynamics M González, J Hernando, I Baños, R Sayós The Journal of chemical physics 111 (19), 8913-8924, 1999 | 52 | 1999 |
| Multiscale Study of the Mechanism of Catalytic CO2 Hydrogenation: Role of the Ni(111) Facets P Lozano-Reis, H Prats, P Gamallo, F Illas, R Sayos ACS Catalysis 10 (15), 8077-8089, 2020 | 51 | 2020 |
| A comparison between experimental, quantum and quasiclassical properties for the N (4S)+ O2 (X3Σg)→ NO (X2Π)+ O (3P) reaction M Gilibert, X Giménez, M González, R Sayós, A Aguilar Chemical physics 191 (1-3), 1-15, 1995 | 50 | 1995 |
| Measurements of vector correlations in bimolecular reactions by laser-pump and probe techniques F Green, G Hancock, AJ Orr-Ewing, M Brouard, SP Duxon, PA Enriquez, ... Chemical physics letters 182 (6), 568-574, 1991 | 49 | 1991 |
| An analytical potential energy surface of the HClF (2 A′) system based on ab initio calculations. Variational transition state theory study of the H+ ClF→ F+ HCl, Cl+ HF and … R Sayós, J Hernando, J Hijazo, M González Physical Chemistry Chemical Physics 1 (6), 947-956, 1999 | 47 | 1999 |
| On the use of quantum chemical methods as an additional tool in studying corrosion inhibitor substances R Sayós, M González, JM Costa Corrosion Science 26 (11), 927-934, 1986 | 46 | 1986 |
| Density Functional Theory-Based Adsorption Isotherms for Pure and Flue Gas Mixtures on Mg-MOF-74. Application in CO2 Capture Swing Adsorption Processes G Alonso, D Bahamon, F Keshavarz, X Giménez, P Gamallo, R Sayós The Journal of Physical Chemistry C 122 (7), 3945-3957, 2018 | 44 | 2018 |
