Publications dans lesquelles il/elle collabore avec José Antonio Mejías Gimeno (7)

2009

  1. Molecular dynamics simulation of the effect of pH on the adsorption of rhodamine laser dyes on TiO2 hydroxylated surfaces

    Molecular Simulation, Vol. 35, Núm. 12-13, pp. 1140-1151

2006

  1. Properties of small TiO2, ZrO2 and HfO2 nanoparticles

    Journal of Materials Chemistry, Vol. 16, Núm. 20, pp. 1927-1933

2005

  1. Structure and stability of small TiO2 nanoparticles

    Journal of Physical Chemistry B, Vol. 109, Núm. 33, pp. 15741-15748

2004

  1. Theoretical study of the adsorption of water on a model soot surface: I. Quantum chemical calculations

    Journal of Physical Chemistry B, Vol. 108, Núm. 17, pp. 5405-5409

  2. Theoretical study of the adsorption of water on a model soot surface: II. Molecular dynamics simulations

    Journal of Physical Chemistry B, Vol. 108, Núm. 17, pp. 5410-5415

2002

  1. A computational study of the hydration of the OH radical

    Journal of Physical Chemistry A, Vol. 106, Núm. 39, pp. 9104-9113

2001

  1. Calculation of the free energy of proton transfer from an aqueous phase to liquid acetonitrile

    Journal of Physical Chemistry B, Vol. 105, Núm. 40, pp. 9872-9878