Publicaciones en colaboración con investigadoras/es de Universidad de Salamanca (21)

2023

  1. Li + HF and Li + HCl Reactions Revisited I: QCT Calculations and Simulation of Experimental Results

    The journal of physical chemistry. A, Vol. 127, Núm. 33, pp. 6924-6944

2019

  1. How reactant polarization can be used to change the effect of interference on reactive collisions

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 26, pp. 14012-14022

  2. Kinetics of the H + CH2 → CH + H2 Reaction at Low Temperature

    Journal of Physical Chemistry A, Vol. 123, Núm. 34, pp. 7408-7419

2013

  1. Understanding the reaction between muonium atoms and hydrogen molecules: Zero point energy, tunnelling, and vibrational adiabaticity

    Molecular Physics, Vol. 111, Núm. 21, pp. 3169-3181

2011

  1. Can quasiclassical trajectory calculations reproduce the extreme kinetic isotope effect observed in the muonic isotopologues of the H + H2 reaction?

    Journal of Chemical Physics, Vol. 135, Núm. 3

2003

  1. A LAGROBO multiproperty fit to four-atom potential energy surfaces: The OH + HCl case study

    Journal of Physical Chemistry A, Vol. 107, Núm. 37, pp. 7248-7257

  2. Isotopic effects in the product vibrational distribution of the OH(OD) + HCl reaction

    Chemical Physics Letters, Vol. 371, Núm. 1-2, pp. 223-228

2002

  1. A LAGROBO strategy to fit potential energy surfaces: The OH + HCl reaction

    Chemical Physics Letters, Vol. 360, Núm. 3-4, pp. 304-312

  2. Quasiclassical rate coefficients for the H2+H2 reaction and dissociation

    Journal of Physical and Chemical Reference Data, Vol. 31, Núm. 2, pp. 371-385

  3. Reaction and dissociation mechanism control: The H2 + H2 system

    Physical Chemistry Chemical Physics, Vol. 4, Núm. 20, pp. 5007-5013

2001

  1. A trajectory study of the OH+H2 reaction

    Chemical Physics Letters, Vol. 333, Núm. 6, pp. 471-478

  2. Progress in validating the potential energy surface of the OH+H2 reaction: Product vibrational distributions

    Chemical Physics Letters, Vol. 345, Núm. 3-4, pp. 219-227

  3. Quasiclassical kinetics of the H2 + H2 reaction and dissociation

    Journal of Physical Chemistry A, Vol. 105, Núm. 10, pp. 1797-1804

1999

  1. A quasiclassical trajectory study of the H2+H2 reaction

    Chemical Physics Letters, Vol. 305, Núm. 3-4, pp. 276-284

1997

  1. Ab initio calculations and dynamical tests of a potential energy surface for the Na+FH reaction

    Journal of Chemical Physics, Vol. 106, Núm. 24, pp. 10222-10229

1991

  1. Parallel calculations of quasiclassical rate constants: the H + H2 reaction

    Chemical Physics Letters, Vol. 176, Núm. 3-4, pp. 273-279

  2. Scalar and vector properties of the Mg + HF reaction on a bond order surface

    Journal of Physical Chemistry, Vol. 95, Núm. 21, pp. 8379-8384

1990

  1. A modelling of accurate reduced-dimensionality quantum probabilities for H(D,T)+Cl2 reactions

    Il Nuovo Cimento D, Vol. 12, Núm. 11, pp. 1539-1551

  2. Calculated vs measured scattering and kinetic data for the Li+HCl reaction

    The Journal of Chemical Physics, Vol. 93, Núm. 12, pp. 8764-8770

1986

  1. An improvement of the Li+HF PES based on a 3D quasiclassical trajectory test

    The Journal of Chemical Physics, Vol. 84, Núm. 6, pp. 3059-3067