Publicaciones en colaboración con investigadoras/es de University of Göttingen (11)

2022

  1. H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction.

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 35, pp. 20813-20819

  2. Steric Hindrance of NH3Diffusion on Pt(111) by Co-Adsorbed O-Atoms

    Journal of the American Chemical Society, Vol. 144, Núm. 47, pp. 21791-21799

2021

  1. Kinetics of NH3Desorption and Diffusion on Pt: Implications for the Ostwald Process

    Journal of the American Chemical Society, Vol. 143, Núm. 43, pp. 18305-18316

  2. Random Force in Molecular Dynamics with Electronic Friction

    Journal of Physical Chemistry C, Vol. 125, Núm. 26, pp. 14468-14473

  3. Translational Inelasticity of Hydrogen Atoms Scattering off Hydrogen-Covered W(110) Surfaces

    Journal of Physical Chemistry C, Vol. 125, Núm. 25, pp. 14075-14081

2020

  1. Atomic scattering of H and N on W(100): Effect of lattice vibration and electronic excitations on the dynamics

    Surface Science, Vol. 701

  2. First principles rates for surface chemistry employing exact transition state theory: Application to recombinative desorption of hydrogen from Cu(111)

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 31, pp. 17532-17539

2014

  1. Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

    Journal of Chemical Physics, Vol. 141, Núm. 5

2013

  1. Adiabatic energy loss in hyperthermal h atom collisions with Cu and Au: A basis for testing the importance of nonadiabatic energy loss

    Journal of Physical Chemistry Letters, Vol. 4, Núm. 21, pp. 3735-3740

2010

  1. Chirality-dependent sublimation of α-(trifluoromethyl)-lactic acid: Relative vapor pressures of racemic, eutectic, and enantiomerically pure forms, and vibrational spectroscopy of isolated (S,S) and (S,R) dimers

    Journal of Fluorine Chemistry, Vol. 131, Núm. 4, pp. 495-504

2004

  1. Critically evaluated rate coefficients for free-radical polymerization, 5: Propagation rate coefficient for butyl acrylate

    Macromolecular Chemistry and Physics, Vol. 205, Núm. 16, pp. 2151-2160