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Alfredo Aguado
Alfredo Aguado
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Cited by
Year
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
4011992
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
1541998
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
1252000
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
1241998
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
1072008
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
1032008
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
982009
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
971997
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
901994
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
801997
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
782010
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
771998
State-to-state reaction probabilities using bond coordinates: Application to the collision
M Lara, A Aguado, M Paniagua, O Roncero
The Journal of Chemical Physics 113 (5), 1781-1794, 2000
702000
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
692005
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
682016
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
682001
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
552004
The lowest triplet state of 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
552001
The He + H → HeH + H reaction: Ab initio studies of the potential energy surface, benchmark time-independent quantum dynamics in an extended energy range …
D De Fazio, M de Castro-Vitores, A Aguado, V Aquilanti, S Cavalli
The Journal of chemical physics 137, 244306, 2012
542012
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
541995
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Articles 1–20