Coordinate transformation methods to calculate state-to-state reaction probabilities with wave packet treatments S Gómez-Carrasco, O Roncero
The Journal of chemical physics 125 (5), 2006
194 2006 Differential Cross Sections and Product Rotational Polarization in A + BC Reactions Using Wave Packet Methods: H+ + D2 and Li + HF Examples A Zanchet, O Roncero, T González-Lezana, A Rodríguez-López, ...
The Journal of Physical Chemistry A 113 (52), 14488-14501, 2009
97 2009 Direct versus resonances mediated F+ OH collisions on a new A ″3 potential energy surface S Gómez-Carrasco, L González-Sánchez, A Aguado, O Roncero, ...
The Journal of chemical physics 121 (10), 4605-4618, 2004
55 2004 Dynamics and kinetics of the F+ OH reaction on the ground triplet potential energy surface S Gómez-Carrasco, L González-Sánchez, A Aguado, M Paniagua, ...
Chemical physics letters 383 (1-2), 25-30, 2004
53 2004 F+ OH reactive collisions on new excited A ″3 and A′ 3 potential-energy surfaces S Gómez-Carrasco, O Roncero, L González-Sánchez, ML Hernández, ...
The Journal of chemical physics 123 (11), 2005
48 2005 Photodetachment spectrum of Three-dimensional study of the heavy–light–heavy resonances L González-Sánchez, S Gómez-Carrasco, A Aguado, M Paniagua, ...
The Journal of chemical physics 121 (1), 309-320, 2004
44 2004 Modeling the global potential energy surface of the N+ N 2 reaction from ab initio data E Garcia, A Saracibar, S Gómez-Carrasco, A Laganà
Physical Chemistry Chemical Physics 10 (18), 2552-2558, 2008
43 2008 OH+ in astrophysical media: State-to-state formation rates, Einstein coefficients and inelastic collision rates with He S Gómez-Carrasco, B Godard, F Lique, N Bulut, J Kłos, O Roncero, ...
The Astrophysical Journal 794 (1), 33, 2014
42 2014 Quantum and quasiclassical state-selected O (1D)+ HF reaction dynamics and kinetics on a new MRCI ground singlet potential energy surface S Gomez-Carrasco, ML Hernández, JM Alvariño
Chemical physics letters 435 (4-6), 188-193, 2007
42 2007 Dynamically biased statistical model for the ortho/para conversion in the H2+H3+ → H3++ H2 reaction S Gómez-Carrasco, L González-Sánchez, A Aguado, C Sanz-Sanz, ...
The Journal of Chemical Physics 137 (9), 2012
39 2012 A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the H2 + H3 + → H3 + + H2 Reaction YV Suleimanov, A Aguado, S Gómez-Carrasco, O Roncero
The journal of physical chemistry letters 9 (9), 2133-2137, 2018
32 2018 Coupled diabatic potential energy surfaces for studying the nonadiabatic dynamics at conical intersections in angular resolved photodetachment simulations of OHF−→ OHF+ e− S Gómez-Carrasco, A Aguado, M Paniagua, O Roncero
The Journal of chemical physics 125 (16), 2006
30 2006 Quantum stereodynamics of the F+ OH (v, j) reactive collision on the 13 A ″state L González-Sánchez, S Gómez-Carrasco, A Aguado, M Paniagua, ...
Molecular Physics 102 (21-22), 2381-2392, 2004
28 2004 Transition state spectroscopy of open shell systems: Angle-resolved photodetachment spectra for the adiabatic singlet states of OHF S Gómez-Carrasco, A Aguado, M Paniagua, O Roncero
Journal of Photochemistry and Photobiology A: Chemistry 190 (2-3), 145-160, 2007
27 2007 Nonadiabatic State-to-State Reactive Collisions among Open Shell Reactants with Conical Intersections: The OH(2 Π) + F(2 P) Example A Zanchet, T González-Lezana, A Aguado, S Gómez-Carrasco, ...
The Journal of Physical Chemistry A 114 (36), 9733-9742, 2010
26 2010 Transition state dynamics of OHF on several electronic states: Photodetachment spectrum of and conical intersections L González-Sánchez, S Gómez-Carrasco, A Aguado, M Paniagua, ...
The Journal of chemical physics 121 (20), 9865-9875, 2004
17 2004 State-to-state quantum wave packet dynamics of the LiH+ H reaction on two ab initio potential energy surfaces S Gómez-Carrasco, L González-Sánchez, N Bulut, O Roncero, L Banares, ...
The Astrophysical Journal 784 (1), 55, 2014
16 2014 Ab initio study of the VUV-induced multistate photodynamics of formaldehyde S Gomez-Carrasco, T Muller, H Koppel
The Journal of Physical Chemistry A 114 (43), 11436-11449, 2010
10 2010 Multi-state vibronic dynamics and multiple conical intersections HK S. Faraji, S. Gómez-Carrasco
Conical Intersections: Theory, Computation and Experiment, 2012
9 * 2012 DpgC‐Catalyzed Peroxidation of 3, 5‐Dihydroxyphenylacetyl‐CoA (DPA‐CoA): Insights into the Spin‐Forbidden Transition and Charge Transfer Mechanisms P Ortega, A Zanchet, C Sanz‐Sanz, S Gómez‐Carrasco, ...
Chemistry–A European Journal 27 (5), 1700-1712, 2021
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