Publicaciones en colaboración con investigadores/as de Massachusetts Institute of Technology (3)

2019

  1. New Stress Test for Ring Polymer Molecular Dynamics: Rate Coefficients of the O(3P) + HCl Reaction and Comparison with Quantum Mechanical and Quasiclassical Trajectory Results

    Journal of Physical Chemistry A, Vol. 123, Núm. 37, pp. 7920-7931

2018

  1. A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the H2 + H3+ → H3+ + H2 Reaction

    Journal of Physical Chemistry Letters, Vol. 9, Núm. 9, pp. 2133-2137

2013

  1. A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 10, pp. 3655-3665