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
111 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 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
82 1991 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
81 2000 Dynamics of the N(4 S u X 2 Π) → N2 (X 1 Σg + ) + O(3 P g 3 A ‘ ground potential energy surface. I. Analytical … M Gilibert, A Aguilar, M Gonzalez, F Mota, R Sayós
The Journal of chemical physics 97 (8), 5542-5553, 1992
66 1992 New analytical R Sayós, C Oliva, M Gonzalez
The Journal of chemical physics 117 (2), 670-679, 2002
65 2002 Ab initio derived analytical fits of the two lowest triplet potential energy surfaces and theoretical rate constants for the P Gamallo, M González, R Sayós
The Journal of chemical physics 119 (5), 2545-2556, 2003
60 2003 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
59 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
56 2005 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
56 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
54 2020 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
53 2016 Quantum reactive scattering calculations of cross sections and rate constants for the I Miquel, M González, R Sayós, GG Balint-Kurti, SK Gray, EM Goldfield
The Journal of chemical physics 118 (7), 3111-3123, 2003
53 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 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 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
46 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
44 1986 DFT and kinetics study of O/O2 mixtures reacting over a graphite (0001) basal surface V Morón, P Gamallo, R Sayós
Theoretical Chemistry Accounts 128, 683-694, 2011
41 2011 Quasiclassical dynamics and kinetics of the P Gamallo, R Martínez, R Sayós, M González
The Journal of chemical physics 132 (14), 144304, 2010
41 2010 