A comparison of different propagation schemes for the time dependent Schrödinger equation C Leforestier, RH Bisseling, C Cerjan, MD Feit, R Friesner, A Guldberg, ...
Journal of Computational Physics 94 (1), 59-80, 1991
1306 1991 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
217 2006 Vector properties in photodissociation: Quantum treatment of the correlation between the spatial anisotropy and the angular momentum polarization of the fragments LDA Siebbeles, M Glass‐Maujean, OS Vasyutinskii, JA Beswick, ...
The Journal of chemical physics 100 (5), 3610-3623, 1994
209 1994 Global potential energy surfaces for the H+ 3 system. Analytical representation of the adiabatic ground-state 1 ^1A′ potential A Aguado, O Roncero, C Tablero, C Sanz, M Paniagua
Journal of Chemical Physics 112, 1240-1254, 2000
129 2000 An inversion technique for the calculation of embedding potentials O Roncero, MP de Lara-Castells, P Villarreal, F Flores, J Ortega, ...
The Journal of chemical physics 129 (18), 2008
117 2008 PHOTOFRAGMENTATION OF THE NE...ICI COMPLEX - A 3-DIMENSIONAL QUANTUM-MECHANICAL STUDY O Roncero, JA Beswick, N Halberstadt, P Villarreal, G Delgado-Barrio
J. Chem. Phys 92, 3348, 1990
115 1990 Gas phase Elemental abundances in Molecular cloudS (GEMS)-I. The prototypical dark cloud TMC 1 A Fuente, DG Navarro, P Caselli, M Gerin, C Kramer, E Roueff, ...
Astronomy & Astrophysics 624, A105, 2019
107 2019 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
101 2009 Quantum study of the Li+ HF→ LiF+ H reaction A Aguado, M Paniagua, M Lara, O Roncero
The Journal of chemical physics 107 (23), 10085-10095, 1997
101 1997 H2 (v= 0, 1)+ C+ (2P)→ H+ CH+ state-to-state rate constants for chemical pumping models in astrophysical media A Zanchet, B Godard, N Bulut, O Roncero, P Halvick, J Cernicharo
The Astrophysical Journal 766 (2), 80, 2013
88 2013 A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional form A Aguado, P Barragán, R Prosmiti, G Delgado-Barrio, P Villarreal, ...
The Journal of chemical physics 133, 024306, 2010
85 2010 Potential energy surface and wave packet calculations on the Li+HF A Aguado, M Paniagua, M Lara, O Roncero
The Journal of chemical physics 106 (3), 1013-1025, 1997
83 1997 Quantum stereodynamics of the M Lara, A Aguado, O Roncero, M Paniagua
The Journal of chemical physics 109 (21), 9391-9400, 1998
79 1998 Vibrational predissociation of the Ar-Cl2 van der Waals complex: The small molecule limit for intramolecular vibrational redistribution N Halberstadt, S Serna, O Roncero, KC Janda
J. Chem. Phys 97, 341, 1992
77 1992 A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H+ +H2→ H+ +H2 exchange reaction T González-Lezana, O Roncero, P Honvault, JM Launay, N Bulut, FJ Aoiz, ...
The Journal of chemical physics 125, 094314, 2006
76 2006 Energy levels and structure of tetra‐atomic van der Waals clusters P Villarreal, O Roncero, G Delgado‐Barrio
The Journal of chemical physics 101 (3), 2217-2230, 1994
76 1994 Ionization fraction and the enhanced sulfur chemistry in Barnard 1 A Fuente, J Cernicharo, E Roueff, M Gerin, J Pety, N Marcelino, ...
Astronomy & Astrophysics 593, A94, 2016
74 2016 State-to-state reaction probabilities using bond coordinates: Application to the M Lara, A Aguado, M Paniagua, O Roncero
The Journal of Chemical Physics 113 (5), 1781-1794, 2000
74 2000 Quantum approaches for the insertion dynamics of the H+ +D2 and D+ +H2 reactive collisions T González-Lezana, A Aguado, M Paniagua, O Roncero
The Journal of chemical physics 123, 194309, 2005
72 2005 Gas phase Elemental abundances in Molecular cloudS (GEMS)-II. On the quest for the sulphur reservoir in molecular clouds: the H2S case D Navarro-Almaida, R Le Gal, A Fuente, P Rivière-Marichalar, V Wakelam, ...
Astronomy & Astrophysics 637, A39, 2020
70 2020 
Alfredo AguadoUniversidad Autónoma de MadridAdresse e-mail validée de uam.es
