Publicaciones en colaboración con investigadores/as de Swiss Federal Institute of Technology in Zurich (3)

2012

  1. Ab initio molecular dynamics study of the dehydroxylation reaction in a smectite model

    Journal of Physical Chemistry C, Vol. 116, Núm. 22, pp. 12203-12211

2008

  1. DFT research on the dehydroxylation reaction of pyrophyllite 1. First-principle molecular dynamics simulations

    Journal of Physical Chemistry B, Vol. 112, Núm. 23, pp. 7051-7060

  2. DFT research on the dehydroxylation reaction of pyrophyllite 2. Characterization of reactants, intermediates, and transition states along the reaction path

    Journal of Physical Chemistry A, Vol. 112, Núm. 28, pp. 6373-6383