Full dimensional quantum calculations of the reaction rate F Huarte-Larrañaga, U Manthe The Journal of Chemical Physics 113 (13), 5115-5118, 2000 | 207 | 2000 |

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 | 200 | 2001 |

Quantum Dynamics of the CH_{4} + H → CH_{3} + H_{2} Reaction: Full-Dimensional and Reduced Dimensionality Rate Constant CalculationsF Huarte-Larrañaga, U Manthe The Journal of Physical Chemistry A 105 (12), 2522-2529, 2001 | 132 | 2001 |

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 | 128 | 2002 |

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 | 113 | 2002 |

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 | 99 | 2001 |

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, 75-85, 2009 | 86 | 2009 |

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), 2012 | 66 | 2012 |

Quantum mechanical calculation of the reaction rate: Full-dimensional accurate, centrifugal sudden, and *J*-shifting resultsF Huarte-Larrañaga, U Manthe The Journal of chemical physics 118 (18), 8261-8267, 2003 | 65 | 2003 |

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 | 62 | 1999 |

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 Martín The Journal of Physical Chemistry A 120 (32), 6451-6458, 2016 | 55 | 2016 |

A molecular dynamics simulation of methane adsorption in single walled carbon nanotube bundles S Vela, F Huarte-Larrañaga Carbon 49 (13), 4544-4553, 2011 | 53 | 2011 |

Thermal rate constants for polyatomic reactions: first principles quantum theory F Huarte-Larrañaga, U Manthe Zeitschrift für Physikalische Chemie 221 (2), 171-213, 2007 | 52 | 2007 |

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 | 49 | 1999 |

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 | 48 | 2001 |

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 | 48 | 2000 |

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 | 43 | 2007 |

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), 2005 | 42 | 2005 |

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 | 36 | 2015 |

Benzene–Hydrogen Bond (C_{6}H_{6}–HX) Interactions: The Influence of the X Nature on their Strength and AnisotropyM Albertí, A Aguilar, F Huarte-Larrañaga, JM Lucas, F Pirani The Journal of Physical Chemistry A 118 (9), 1651-1662, 2014 | 36 | 2014 |