Publicaciones (30) Publicaciones en las que ha participado algún/a investigador/a

2002

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

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

  2. A free energy minimisation study of the monoclinic-orthorhombic transition in MFI zeolite

    Chemical Communications, pp. 2544-2545

  3. A quasiclassical trajectory and quantum mechanical study of the O(1D) + D2 reaction dynamics. Comparison with high resolution molecular beam experiments

    Physical Chemistry Chemical Physics, Vol. 4, Núm. 18, pp. 4379-4385

  4. Aggregate formation in mixed monolayers at the air-water interface of metal-complex tetracationic water-soluble porphyrins attached to a phospholipid matrix

    Physical Chemistry Chemical Physics, Vol. 4, Núm. 11, pp. 2329-2336

  5. Application of the cyclic semi-integral voltammetry and cyclic semi-differential voltammetry to the determination of the reduction mechanism of a Ni-porphyrin

    Journal of Electroanalytical Chemistry, Vol. 523, Núm. 1-2, pp. 160-168

  6. Characterization and fast optical response to NO2 of porphyrin LB films

    Materials Science and Engineering C, Vol. 22, Núm. 2, pp. 433-438

  7. Charge transport model for disordered materials: Application to sensitized (formula presented)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 65, Núm. 12, pp. 1-10

  8. Charge transport model for disordered materials: Application to sensitized TiO2

    Physical Review B - Condensed Matter and Materials Physics, Vol. 65, Núm. 12, pp. 1253241-12532410

  9. Coarsening of metal oxide nanoparticles

    Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 66, Núm. 1

  10. Combining quantum and classical density functional theory for ion-electron mixtures

    Journal of Non-Crystalline Solids, Vol. 312-314, pp. 60-68

  11. Electrodeposition of copper onto Si(111) with controlled surface structure

    ELECTROCHEMICAL SCIENCE AND TECHNOLOGY OF COPPER, PROCEEDINGS

  12. Entropy effects during sorption of alkanes in zeolites

    Chemical Society Reviews, Vol. 31, Núm. 3, pp. 185-194

  13. Erratum: Monte Carlo study of liquid crystal phases of hard and soft spherocylinders (J. Chem. Phys. (2002) 117 (2934))

    Journal of Chemical Physics

  14. Exploring the capabilities of x-ray absorption spectroscopy for determining the structure of electrolyte solutions: Computed spectra for Cr3+ or Rh3+ in water based on molecular dynamics

    Journal of the American Chemical Society, Vol. 124, Núm. 36, pp. 10911-10920

  15. Gas phase molecular relaxation at very low temperatures. A comparative study of N2 and its mixtures with He and Ne

    Vacuum, Vol. 64, Núm. 3-4, pp. 417-423

  16. Influence of molecular organization of asymmetrically substituted porphyrins on their response to NO2 gas

    Langmuir, Vol. 18, Núm. 20, pp. 7594-7601

  17. Investigation of entropy effects during sorption of mixtures of alkanes in MFI zeolite

    Chemical Engineering Journal, Vol. 88, Núm. 1-3, pp. 81-94

  18. Macrophage inducible nitric oxide synthase gene expression is blocked by a benzothiophene derivative with anti-HIV properties

    Molecular Genetics and Metabolism, Vol. 75, Núm. 4, pp. 360-368

  19. Modelling of hydrated ca-rich zeolites

    Molecular Simulation

  20. Models of electron trapping and transport in polyethylene: Current-voltage characteristics

    Journal of Applied Physics, Vol. 92, Núm. 2, pp. 1002-1008