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Fermin Huarte-Larrañaga
Fermin Huarte-Larrañaga
Verified email at ub.edu
Title
Cited by
Cited by
Year
Full dimensional quantum calculations of the reaction rate
F Huarte-Larrañaga, U Manthe
The Journal of Chemical Physics 113 (13), 5115-5118, 2000
2002000
Coupled-channel statistical theory of the N (2D)+ H2 and O (1D)+ H2 insertion reactions
EJ Rackham, F Huarte-Larranaga, DE Manolopoulos
Chemical physics letters 343 (3-4), 356-364, 2001
1952001
Quantum Dynamics of the CH4 + H → CH3 + H2 Reaction:  Full-Dimensional and Reduced Dimensionality Rate Constant Calculations
F Huarte-Larrañaga, U Manthe
The Journal of Physical Chemistry A 105 (12), 2522-2529, 2001
1282001
Vibrational excitation in the transition state: The reaction rate constant in an extended temperature interval
F Huarte-Larrañaga, U Manthe
The Journal of chemical physics 116 (7), 2863-2869, 2002
1242002
Accurate quantum dynamics of a combustion reaction: Thermal rate constants of O (3 P)+ CH 4 (X 1 A 1)→ OH (X 2 Π)+ CH 3 (X 2 A 2 ″)
F Huarte-Larrañaga, U Manthe
The Journal of chemical physics 117 (10), 4635-4638, 2002
1162002
The importance of an accurate vibrational partition function in full dimensionality calculations of the reaction
JM Bowman, D Wang, X Huang, F Huarte-Larrañaga, U Manthe
The Journal of Chemical Physics 114 (21), 9683-9684, 2001
972001
On the suitability of the ILJ function to match different formulations of the electrostatic potential for water-water interactions
N Faginas Lago, F Huarte Larrañaga, M Albertí
The European Physical Journal D 55 (1), 75-85, 2009
842009
Quantum mechanical calculation of the reaction rate: Full-dimensional accurate, centrifugal sudden, and J-shifting results
F Huarte-Larrañaga, U Manthe
The Journal of chemical physics 118 (18), 8261-8267, 2003
632003
State-to-state reaction probabilities within the quantum transition state framework
R Welsch, F Huarte-Larrañaga, U Manthe
The Journal of Chemical Physics 136 (6), 064117, 2012
612012
Exact quantum 3D cross sections for the Ne+ H 2+→ NeH++ H reaction by the hyperspherical method. Comparison with approximate quantum mechanical and classical results
F Huarte-Larrañaga, X Giménez, JM Lucas, A Aguilar, JM Launay
Physical Chemistry Chemical Physics 1 (6), 1125-1132, 1999
611999
Accurate 3 dimensional quantum dynamical study of the reaction
M Gilibert, X Giménez, F Huarte-Larrañaga, M González, A Aguilar, I Last, ...
The Journal of chemical physics 110 (13), 6278-6287, 1999
501999
A molecular dynamics simulation of methane adsorption in single walled carbon nanotube bundles
S Vela, F Huarte-Larrañaga
Carbon 49 (13), 4544-4553, 2011
492011
Thermal rate constants for polyatomic reactions: First principles quantum theory
F Huarte-Larrañaga, U Manthe
Zeitschrift für Physikalische Chemie 221 (2), 171-213, 2007
492007
Detailed energy dependences of cross sections and rotational distributions for the Ne+ H2+→ NeH++ H reaction
F Huarte-Larrañaga, X Giménez, JM Lucas, A Aguilar, JM Launay
The Journal of Physical Chemistry A 104 (45), 10227-10233, 2000
472000
Adsorption of hydrogen molecules on carbon nanotubes using quantum chemistry and molecular dynamics
N Faginas-Lago, D Yeni, F Huarte, Y Wang, M Alcamí, F Martin
The Journal of Physical Chemistry A 120 (32), 6451-6458, 2016
462016
A molecular dynamics study of the distribution of molecular hydrogen physisorbed on single walled carbon nanotubes
F Huarte-Larrañaga, M Albertí
Chemical Physics Letters 445 (4-6), 227-232, 2007
432007
Partition functions for reaction rate calculations: statistical sampling and MCTDH propagation
U Manthe, F Huarte-Larrañaga
Chemical physics letters 349 (3-4), 321-328, 2001
432001
Calculating initial-state-selected reaction probabilities from thermal flux eigenstates: A transition-state-based approach
F Huarte-Larrañaga, U Manthe
The Journal of chemical physics 123 (20), 204114, 2005
402005
Conditional born–oppenheimer dynamics: Quantum dynamics simulations for the model porphine
G Albareda, JM Bofill, I Tavernelli, F Huarte-Larranaga, F Illas, A Rubio
The journal of physical chemistry letters 6 (9), 1529-1535, 2015
352015
Benzene–Hydrogen Bond (C6H6–HX) Interactions: The Influence of the X Nature on their Strength and Anisotropy
M Albertí, A Aguilar, F Huarte-Larrañaga, JM Lucas, F Pirani
The Journal of Physical Chemistry A 118 (9), 1651-1662, 2014
332014
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