Publicaciones en colaboración con investigadores/as de University of Warwick (4)

2019

  1. Nonadiabatic scattering of NO off Au3 clusters: A simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions

    Journal of Computational Chemistry, Vol. 40, Núm. 6, pp. 794-810

  2. Performance of van der Waals DFT approaches for helium diffraction on metal surfaces

    Journal of Physics Condensed Matter, Vol. 31, Núm. 13

2018

  1. NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates

    Journal of Chemical Physics, Vol. 148, Núm. 22

2012

  1. Varying molecular interactions by coverage in supramolecular surface chemistry

    Chemical Communications, Vol. 48, Núm. 4, pp. 534-536