Artículos (25) Publicaciones en las que ha participado algún/a investigador/a

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. A numerical model for charge transport and recombination in dye-sensitized solar cells

    Journal of Physical Chemistry B, Vol. 110, Núm. 11, pp. 5372-5378

  3. Acoustic determination of thermophysical properties and critical parameters for R404A and critical line of xCO2 + (1 - X)R404A

    Journal of Chemical and Engineering Data, Vol. 51, Núm. 3, pp. 1148-1155

  4. Acoustic determination of thermophysical properties and critical parameters for R410A and critical line of xCO2 + (1 - X)R410A

    Journal of Chemical and Engineering Data, Vol. 51, Núm. 5, pp. 1906-1914

  5. Acoustic determination of thermophysical properties and critical parameters for the mixture (51 wt % R143a + 49 wt % R125) and critical line of xCO 2 + (1 - X)(51 wt % R143a + 49 wt % R125)

    Journal of Chemical and Engineering Data, Vol. 51, Núm. 6, pp. 2161-2169

  6. Applications of DL_POLY and DL_MULTI to Organic Molecular Crystals

    Molecular Simulation, Vol. 32, Núm. 12-13, pp. 985-997

  7. Computational study of the relative stabilities of ZnS clusters, for sizes between 1 and 4 nm

    Journal of Crystal Growth, Vol. 294, Núm. 1, pp. 2-8

  8. Continuous time random walk simulation of short-range electron transport in TiO2 layers compared with transient surface photovoltage measurements

    Journal of Photochemistry and Photobiology A: Chemistry, Vol. 182, Núm. 3, pp. 280-287

  9. CuGaSe2-CuGa3Se5 phase transition in CCSVT-grown thin films

    Thin Solid Films, Vol. 511-512, pp. 623-627

  10. Diffusion of CH4 and CO2 in MFI, CHA and DDR zeolites

    Chemical Physics Letters, Vol. 429, Núm. 1-3, pp. 219-224

  11. Dynamically corrected transition state theory calculations of self-diffusion in anisotropic nanoporous materials

    Journal of Physical Chemistry B, Vol. 110, Núm. 7, pp. 3164-3172

  12. Electronic excitation energies of ZniSi nanoparticles

    Nanotechnology, Vol. 17, Núm. 16, pp. 4100-4105

  13. Evaluation of a new force field for describing the adsorption behavior of alkanes in various pure silica zeolites

    Journal of Physical Chemistry B, Vol. 110, Núm. 41, pp. 20166-20171

  14. Freezing of hard spheres confined in narrow cylindrical pores

    Journal of Chemical Physics, Vol. 125, Núm. 14

  15. Influence of cation Na/Ca ratio on adsorption in LTA 5A: A systematic molecular simulation study of alkane chain length

    Journal of Physical Chemistry B, Vol. 110, Núm. 47, pp. 23968-23976

  16. Kinetic insights into the role of the solvent in the polymorphism of 5-fluorouracil from molecular dynamics simulations

    Journal of Physical Chemistry B, Vol. 110, Núm. 7, pp. 3323-3329

  17. Langmuir monolayer properties of 4-methylbenzenethiol capped gold nanoparticles

    Materials Science and Engineering C, Vol. 26, Núm. 1, pp. 154-162

  18. Layering in sedimentation of suspensions of charged colloids: Simulation and theory

    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 73, Núm. 6

  19. On the determination of molecular weight distributions of asphaltenes and their aggregates in laser desorption ionization experiments

    Journal of Mass Spectrometry, Vol. 41, Núm. 7, pp. 960-968

  20. Properties of small TiO2, ZrO2 and HfO2 nanoparticles

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