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  1. Evaluation of the pressure tensor and surface tension for molecular fluids with discontinuous potentials using the volume perturbation method
    G. Jimenez-Serratos and C. Vega and A. Gil-Villegas
    J. Chem. Phys. 137 204104 (2012)
  2. Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water
    A. Reinhardt ,J. P. K. Doye , E. G. Noya and C. Vega
    J. Chem. Phys. 137 194504 (2012)
  3. Free energy calculations for atomic solids through the Einstein crystal/molecule methodology using GROMACS and LAMMPS

    J.L. Aragones, C.Valeriani and C. Vega
    J.Chem.Phys. 137 146101 (2012)
  4. A study of the influence of isotopic substitution on the melting point and temperature of maximum density of water by means of path integral simulations of rigid models
    C. McBride, J.L. Aragones, E.G.Noya and C. Vega
    Phys.Chem.Chem.Phys. 14 15199 (2012)
  5. Calculation of the melting point of alkali halides by means of computer simulations
    J.L.Aragones, E.Sanz, C. Valeriani and C. Vega
    J.Chem.Phys.. 137 104507 (2012)
  6. The phase diagram of water from quantum simulations
    C. McBride, E.G. Noya, J.L.Aragones, M.M. Conde and C.Vega
    Physical Chemistry Chemical Physics 14 10140 (2012)
  7. Solubility of NaCl in water by molecular simulation revisited
    J.L.Aragones, E.Sanz and C. Vega
    J.Chem.Phys.. 136 244508 (2012)