A new functional form to obtain analytical potentials of triatomic molecules A Aguado, M Paniagua The Journal of Chemical Physics 96 (2), 1265-1275, 1992 | 406 | 1992 |
Global fit of ab initio potential energy surfaces I. Triatomic systems A Aguado, C Tablero, M Paniagua Computer Physics Communications 108 (2-3), 259-266, 1998 | 153 | 1998 |
Reference program for molecular calculations with Slater‐type orbitals J Fernández Rico, R López, A Aguado, I Ema, G Ramírez Journal of computational chemistry 19 (11), 1284-1293, 1998 | 132 | 1998 |
Global potential energy surfaces for the system. Analytical representation of the adiabatic ground-state potential A Aguado, O Roncero, C Tablero, C Sanz, M Paniagua The Journal of Chemical Physics 112 (3), 1240-1254, 2000 | 126 | 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 | 109 | 2008 |
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 | 104 | 2009 |
The H rovibrational spectrum revisited with a global electronic potential energy surface L Velilla, B Lepetit, A Aguado, JA Beswick, M Paniagua The Journal of Chemical Physics 129, 084307, 2008 | 104 | 2008 |
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 | 99 | 1997 |
Accurate global fit of the H4 potential energy surface A Aguado, C Suárez, M Paniagua The Journal of chemical physics 101 (5), 4004-4010, 1994 | 93 | 1994 |
Potential energy surface and wave packet calculations on the Li+ HF→ LiF+ H reaction A Aguado, M Paniagua, M Lara, O Roncero The Journal of chemical physics 106 (3), 1013-1025, 1997 | 83 | 1997 |
A new accurate and full dimensional potential energy surface of H 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 (2), 2010 | 81 | 2010 |
Quantum stereodynamics of the reactive collision for different initial states of the reagent M Lara, A Aguado, O Roncero, M Paniagua The Journal of chemical physics 109 (21), 9391-9400, 1998 | 79 | 1998 |
State-to-state reaction probabilities using bond coordinates: Application to the Li+ HF (v, j) collision M Lara, A Aguado, M Paniagua, O Roncero The Journal of Chemical Physics 113 (5), 1781-1794, 2000 | 74 | 2000 |
New program for molecular calculations with Slater‐type orbitals J Fernández Rico, R López, A Aguado, I Ema, G Ramírez International Journal of Quantum Chemistry 81 (2), 148-153, 2001 | 73 | 2001 |
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 | 71 | 2016 |
Quantum approaches for the insertion dynamics of the H + D and D + H reactive collisions T González-Lezana, A Aguado, M Paniagua, O Roncero The Journal of chemical physics 123 (19), 2005 | 71 | 2005 |
Direct versus resonances mediated F+ OH collisions on a new A'' potential energy surface S Gómez-Carrasco, L González-Sánchez, A Aguado, O Roncero, ... The Journal of chemical physics 121 (10), 4605-4618, 2004 | 56 | 2004 |
The lowest triplet state A′ 3 of H3+: Global potential energy surface and vibrational calculations C Sanz, O Roncero, C Tablero, A Aguado, M Paniagua The Journal of Chemical Physics 114 (5), 2182-2191, 2001 | 56 | 2001 |
Potential-energy surfaces for the Li+ HF reaction. MRDCI study of the ground-and lower excited-states for doublet LiFH A Aguado, C Suárez, M Paniagua Chemical physics 201 (1), 107-120, 1995 | 55 | 1995 |
Trans-cis molecular photoswitching in interstellar space S Cuadrado, JR Goicoechea, O Roncero, A Aguado, B Tercero, ... Astronomy & Astrophysics 596, L1, 2016 | 54 | 2016 |