Publicaciones en las que colabora con JESÚS FERNÁNDEZ CASTILLO (46)

2015

  1. Accurate Time-Dependent Wave Packet Calculations for the O+ + H2 → OH+ + H Ion-Molecule Reaction

    Journal of Physical Chemistry A, Vol. 119, Núm. 50, pp. 11951-11962

  2. The Cl + O<inf>3</inf> reaction: A detailed QCT simulation of molecular beam experiments

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 38, pp. 25471-25482

2014

  1. A ring polymer molecular dynamics study of the Cl + O3 reaction

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 7, pp. 2920-2927

  2. OH+in astrophysical media: State-to-state formation rates, einstein coefficients and inelastic collision rates with He

    Astrophysical Journal, Vol. 794, Núm. 1

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

2012

  1. Accurate time-dependent wave packet study of the H++LiH reaction at early universe conditions

    Astrophysical Journal, Vol. 759, Núm. 1

  2. Accurate time-dependent wave packet study of the Li + H 2 + reaction and its isotopic variants

    Journal of Physical Chemistry A, Vol. 116, Núm. 1, pp. 132-138

2011

  1. Theoretical study of the dynamics of Cl + O3 reaction I. Ab initio potential energy surface and quasiclassical trajectory results

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 18, pp. 8537-8548

2009

  1. Quantum mechanical wave packet and quasiclassical trajectory calculations for the Li + H2+ reaction

    Journal of Physical Chemistry A, Vol. 113, Núm. 52, pp. 14657-14663

  2. Vibrationally inelastic collisions of H+ D2: A comparison of quantum mechanical, quasiclassical, and experimental results

    Journal of Chemical Physics, Vol. 130, Núm. 3

2008

  1. Real wave packet and quasiclassical trajectory studies of the H+ + LiH reaction

    Physical Chemistry Chemical Physics, Vol. 10, Núm. 6, pp. 821-827

2006

  1. Cumulative reaction probabilities: A comparison between quasiclassical and quantum mechanical results

    Journal of Chemical Physics, Vol. 125, Núm. 14

  2. Quasiclassical trajectory study of the Cl+CH4 reaction dynamics on a quadratic configuration interaction with single and double excitation interpolated potential energy surface

    Journal of Chemical Physics, Vol. 125, Núm. 12

  3. Quasiclassical trajectory study of the collision-induced dissociation dynamics of Ar + CH3SH+ using an Ab initio interpolated potential energy surface

    Journal of Physical Chemistry A, Vol. 110, Núm. 4, pp. 1225-1231

2005

  1. Dynamics of the O(1D)+D2 reaction: A comparison between crossed molecular beam experiments and quasiclassical trajectory calculations on the lowest three potential energy surfaces

    Molecular Physics, Vol. 103, Núm. 13, pp. 1703-1714

  2. On the conformational memory in the photodissociation of formic acid

    Journal of Physical Chemistry A, Vol. 109, Núm. 12, pp. 2836-2839

  3. Quantum-instanton evaluation of the kinetic isotope effects

    Journal of Chemical Physics, Vol. 123, Núm. 5

  4. Quasiclassical trajectory study of the F + CH4 reaction dynamics on a dual-level interpolated potential energy surface

    Journal of Physical Chemistry A, Vol. 109, Núm. 38, pp. 8459-8470

2004

  1. Cross-sections for the H + H 2 O → OH + H 2 and H + D 2 O → OD + HD abstraction reactions

    Physical Chemistry Chemical Physics, Vol. 6, Núm. 21, pp. 4991-4999

  2. Collision energy dependence of the HD(v′ = 2) product rotational distribution of the H+D 2 reaction in the range 1.30-1.89 eV

    Journal of Chemical Physics, Vol. 120, Núm. 7, pp. 3255-3264