Publicaciones en las que colabora con Sofia Calero Díaz (19)

2007

  1. Can models of charged rods show features of undercooled liquids?

    Journal of Molecular Liquids, Vol. 134, Núm. 1-3 SPEC. ISS., pp. 136-141

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

  2. Searching the microscopic features responsible for an undercooled liquid behavior in charged rods

    AIP Conference Proceedings

2005

  1. A new insight on the structural changes of linear quadrupole liquids

    Journal of Chemical Physics, Vol. 123, Núm. 18

  2. Elucidating alkane adsorption in sodium-exchanged zeolites from molecular simulations to empirical equations

    Applied Surface Science

  3. Molecular simulation of adsorption of n-alkanes in Na-MFI zeolites. Determination of empirical expressions

    Studies in Surface Science and Catalysis

2004

  1. Modelling of the complex between a 15-residue peptide from mSos2 and the N-terminal SH3Domain of Grb2 by molecular-dynamics simulation

    Chemistry and Biodiversity, Vol. 1, Núm. 3, pp. 505-519

2003

  1. Classical molecular dynamics simulation of kappa squared factor in resonance energy transfer for linear dipole models

    Molecular Simulation, Vol. 29, Núm. 8, pp. 519-525

  2. Influence of charge distribution on the thermophysical and dynamical properties of polar linear molecules

    Journal of Chemical Physics, Vol. 118, Núm. 24, pp. 11079-11091

  3. 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

  4. Structure of liquids composed of shifted dipole linear molecules

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

2001

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

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

2000

  1. 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

1999

  1. A new and more direct test of Hubbard relations from molecular mass distribution influence on linear liquid dynamics

    Journal of Chemical Physics, Vol. 111, Núm. 12, pp. 5434-5440

1998

  1. Phase equilibria of a square-well monomer-dimer mixture: Gibbs ensemble computer simulation and statistical associating fluid theory for potentials of variable range

    Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 57, Núm. 2, pp. 2035-2044

1997

  1. Accurate simulations of the vapor-liquid equilibrium of important organic solvents and other diatomics

    Journal of Physical Chemistry B, Vol. 101, Núm. 34, pp. 6763-6771

  2. Nonequilibrium properties of linear polar Kihara fluids from molecular dynamics. Results for models and for liquid acetonitrile

    Journal of Chemical Physics, Vol. 107, Núm. 6, pp. 2034-2045

1996

  1. Dynamical properties and transport coefficients of Kihara linear fluids

    Journal of Chemical Physics, Vol. 106, Núm. 11, pp. 4753-4767

  2. The vapour-liquid equilibrium of n-alkanes

    Journal of Physics Condensed Matter, Vol. 8, Núm. 47, pp. 9643-9648