Publicaciones en colaboración con investigadores/as de University of Stuttgart (13)

2019

  1. Prediction of the near-IR spectra of ices by: Ab initio molecular dynamics

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 18, pp. 9433-9440

2005

  1. Effect of rotational energy on the reaction Li+HF(v=0,j) →LiF+H: An experimental and computational study

    Journal of Chemical Physics, Vol. 122, Núm. 24

2001

  1. A quantum mechanical and quasi-classical trajectory study of the Cl+H2 reaction and its isotopic variants: Dependence of the integral cross section on the collision energy and reagent rotation

    Journal of Chemical Physics, Vol. 115, Núm. 5, pp. 2074-2081

  2. Experimental and theoretical differential cross sections for the reactions CL+H2/D2

    Journal of Chemical Physics, Vol. 114, Núm. 24, pp. 10662-10672

2000

  1. Dynamics of the Cl+D2 reaction: A comparison of crossed molecular beam experiments with quasi-classical trajectory calculations on a new ab initio potential energy surface

    Chemical Physics Letters, Vol. 328, Núm. 4-6, pp. 500-508

1998

  1. Quantum mechanical and quasiclassical simulations of molecular beam experiments for the F+H2→HF+H reaction on two ab initio potential energy surfaces

    Journal of Chemical Physics, Vol. 109, Núm. 17, pp. 7224-7237

1997

  1. Ab initio simulation of molecular beam experiments for the F + H2 → HF + H reaction

    Journal of Physical Chemistry A, Vol. 101, Núm. 36, pp. 6403-6414

  2. Product rotational polarization. The stereodynamics of the F + H2 reaction

    Chemical Physics Letters, Vol. 264, Núm. 5, pp. 487-494

1996

  1. Quantum mechanical angular distributions for the F+H2 reaction

    Journal of Chemical Physics, Vol. 104, Núm. 17, pp. 6531-6546

  2. Reaction cross sections and rate constants for the F+H2(D2)→HF(DF)+H(D) reactions from quasiclassical trajectory calculations on a potential energy surface

    Chemical Physics Letters, Vol. 254, Núm. 5-6, pp. 341-348

  3. The F + HD reaction: Cross sections and rate constants on an ab initio potential energy surface

    Chemical Physics Letters, Vol. 262, Núm. 3-4, pp. 175-182

1995

  1. The F+HD→DF(HF)+H(D) reaction revisited: Quasiclassical trajectory study on an ab initio potential energy surface and comparison with molecular beam experiments

    The Journal of Chemical Physics, Vol. 102, Núm. 23, pp. 9248-9262

1994

  1. Quasi-classical trajectory study of the F + D2 → DF + D reaction on a new ab initio potential energy surface. Comparison with molecular beam experimental results

    Journal of Physical Chemistry, Vol. 98, Núm. 42, pp. 10665-10670