Publications by the researcher in collaboration with José Antonio Mejías Gimeno (11)

2006

  1. A coarse-graining approach for the proton complex in protonated aluminosilicates

    Journal of Physical Chemistry B, Vol. 110, Núm. 12, pp. 5838-5841

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

2003

  1. Structure of liquids composed of shifted dipole linear molecules

    Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 68, Núm. 2, pp. 4

  2. Structure of liquids composed of shifted dipole linear molecules

    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 68, Núm. 2 1

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

  2. Monte Carlo simulations of symmetric and asymmetric angular model liquids

    Journal of Chemical Physics, Vol. 114, Núm. 20, pp. 9075-9082

2000

  1. Calculation of the absolute hydration enthalpy and free energy of H+ and OH-

    Journal of Chemical Physics, Vol. 113, Núm. 17, pp. 7306-7316

  2. Suitability of the kihara potential to predict molecular spectra of linear polyatomic liquids

    Journal of Physical Chemistry B, Vol. 104, Núm. 24, pp. 5808-5815