Publicaciones en colaboración con investigadores/as de Leiden University (28)

2017

  1. H 2 /LiF(001) diffractive scattering under fast grazing incidence using a DFT-based potential energy surface

    Physical Review B, Vol. 96, Núm. 20

  2. Exploring surface landscapes with molecules: Rotationally induced diffraction of H2 on LiF(001) under fast grazing incidence conditions

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 25, pp. 16317-16322

2016

  1. Enigmatic HCl + Au(111) reaction: A puzzle for theory and experiment

    Journal of Physical Chemistry C, Vol. 120, Núm. 45, pp. 25760-25779

  2. Quantum and classical dynamics of reactive scattering of H2 from metal surfaces

    Chemical Society Reviews, Vol. 45, Núm. 13, pp. 3658-3700

  3. Role of van der Waals forces in the diffraction of noble gases from metal surfaces

    Physical Review B, Vol. 93, Núm. 6

2014

  1. Dissociation and recombination of D2 on Cu(111): Ab initio molecular dynamics calculations and improved analysis of desorption experiments

    Journal of Chemical Physics, Vol. 141, Núm. 12

2013

  1. 7D quantum dynamics of H2 scattering from Cu(111): The accuracy of the phonon sudden approximation

    Zeitschrift fur Physikalische Chemie, Vol. 227, Núm. 11, pp. 1397-1420

  2. Thermal lattice expansion effect on reactive scattering of H2 from Cu(111) at Ts = 925 k

    Journal of Physical Chemistry A

2012

  1. Dynamics of H 2 dissociation on the 1/2 ML c(2 × 2)-Ti/Al(100) surface

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 9, pp. 3234-3247

  2. Effect of surface motion on the rotational quadrupole alignment parameter of D 2 reacting on Cu(111)

    Physical Review Letters, Vol. 108, Núm. 23

  3. H 2 diffraction from a strained pseudomorphic monolayer of Cu deposited on ru(0001)

    Journal of Physical Chemistry C, Vol. 116, Núm. 25, pp. 13671-13678

  4. Vibrational deexcitation and rotational excitation of H 2 and D 2 scattered from Cu(111): Adiabatic versus non-adiabatic dynamics

    Journal of Chemical Physics, Vol. 137, Núm. 6

2011

  1. Hydrogen dissociation on Cu(111): The influence of lattice motion. Part i

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 10, pp. 4552-4561

  2. Six-dimensional quasiclassical and quantum dynamics of H2 dissociation on the c(2 2)-Ti/Al(100) surface

    Journal of Chemical Physics, Vol. 134, Núm. 11

2010

  1. Apparent failure of the Born-Oppenheimer static surface model for vibrational excitation of molecular hydrogen on copper

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 107, Núm. 49, pp. 20881-20886

  2. Dynamics of dissociative adsorption of hydrogen on a CO-precovered Ru(0001) surface: A comparison of theoretical and experimental results

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 6, pp. 1331-1340

  3. Dynamics on six-dimensional potential energy surfaces for H 2/Cu(111): Corrugation reducing procedure versus modified shepard interpolation method and PW91 versus RPBE

    Journal of Physical Chemistry C, Vol. 114, Núm. 25, pp. 11192-11201

  4. Experimental and theoretical study of rotationally inelastic diffraction of D2 from NiAl(110)

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 43, pp. 14501-14507

  5. Six-dimensional dynamics study of reactive and non reactive scattering of H2 from Cu(111) using a chemically accurate potential energy surface

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 24, pp. 6499-6519

2009

  1. A note on the vibrational efficacy in molecule-surface reactions

    Journal of Chemical Physics, Vol. 130, Núm. 9