Publicaciones en colaboración con investigadores/as de University of Oxford (17)

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

2006

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

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

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

2003

  1. Cross Section for the [Formula presented] Abstraction Reaction: Experiment and Theory

    Physical Review Letters, Vol. 90, Núm. 9, pp. 4

  2. Cross section for the H + H2O abstraction reaction: Experiment and theory

    Physical Review Letters, Vol. 90, Núm. 9

  3. The dynamics of the H+D2O→OD+HD reaction at 2.5 eV: Experiment and theory

    Journal of Chemical Physics, Vol. 118, Núm. 3, pp. 1162-1174

2001

  1. Insertion and abstraction pathways in the reaction O(1D2) + H2 → OH + H

    Physical Review Letters, Vol. 86, Núm. 9, pp. 1729-1732

2000

  1. ABC: A quantum reactive scattering program

    Computer Physics Communications, Vol. 133, Núm. 1, pp. 128-135

  2. Dynamics of the O(1D)+HD reaction: A quasiclassical trajectory multisurface study

    Journal of Chemical Physics, Vol. 113, Núm. 13, pp. 5339-5353

1999

  1. A theoretical study of the dynamics of vibrational wave packets in the 1g state of Xe2

    Laser Chemistry, Vol. 19, Núm. 1-4, pp. 57-63

  2. Nearside-farside analysis of state-selected differential cross sections for reactive molecular collisions

    Physical Chemistry Chemical Physics, Vol. 1, Núm. 6, pp. 1115-1124

  3. State-to-state three-atom reactive scattering using adiabatic rotation approximations

    Physical Chemistry Chemical Physics, Vol. 1, Núm. 6, pp. 1165-1172

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

  2. Quantum mechanical angular distributions for the F + HD reaction

    Faraday Discussions, Vol. 110, pp. 119-138

  3. Using quantum rotational polarization moments to describe the stereodynamics of the H+D2(v=0,j=0)→HD(v′,j′) + D reaction

    Journal of Chemical Physics, Vol. 108, Núm. 8, pp. 3142-3153

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

1996

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

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