Publicaciones (46) Publicaciones en las que ha participado algún/a investigador/a

1998

  1. AMYR 2: A new version of a computer program for pair potential calculation of molecular associations

    Computer Physics Communications, Vol. 115, Núm. 1, pp. 87-89

  2. Ab initio study on the mechanism of tropospheric reactions of the nitrate radical with alkenes: Ethene

    Journal of Organic Chemistry, Vol. 63, Núm. 20, pp. 6978-6983

  3. Amino acid chemistry in solution: Structural study and vibrational dynamics of glutamine in solution. An ab initio reaction field model

    Journal of Physical Chemistry B, Vol. 102, Núm. 32, pp. 6290-6298

  4. Aminoacid zwitterions in solution: Geometric, energetic, and vibrational analysis using density functional theory-continuum model calculations

    Journal of Chemical Physics, Vol. 109, Núm. 2, pp. 592-603

  5. Antimicrobial activity characterization in a heterogeneous group of compounds

    Journal of Chemical Information and Computer Sciences, Vol. 38, Núm. 3, pp. 445-449

  6. Association between hydrophobically modified polyanions and negatively charged bovine serum albumin

    Journal of Physical Chemistry B, Vol. 102, Núm. 7, pp. 1327-1333

  7. Benzoannulated quinone-type electron acceptors: Evolution of the molecular and electronic structures upon reduction

    Journal of Molecular Structure: THEOCHEM, Vol. 426, Núm. 1-3, pp. 135-143

  8. Bis-cyclic crown ether derived from biphenyl. Different behaviour in complexing Hg(SCN)2 and Hg(CN)2

    Supramolecular Chemistry, Vol. 9, Núm. 3, pp. 211-219

  9. Characterizing cavities in model inclusion molecules: A comparative study

    Journal of Molecular Graphics and Modelling, Vol. 16, Núm. 2, pp. 57-71

  10. Chloride role in the surface of nickel electrode

    Electrochimica Acta, Vol. 44, Núm. 6-7, pp. 957-965

  11. Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach

    Journal of Computer-Aided Molecular Design, Vol. 12, Núm. 6, pp. 583-595

  12. Determination of the electroactive area of graphite + polyethylene composite electrodes. Uncompensated resistance effects and convolution analysis of chronoamperograms

    Journal of Electroanalytical Chemistry, Vol. 443, Núm. 1, pp. 41-48

  13. Difficulties of density functional theory in predicting the torsional potential of 2,2′-bithiophene

    International Journal of Quantum Chemistry, Vol. 70, Núm. 2, pp. 303-312

  14. Donor-π-acceptor species derived from functionalised 1,3-dithiol-2- ylidene anthracene donor units exhibiting photoinduced electron transfer properties: Spectroscopic, electrochemical, X-ray crystallographic and theoretical studies

    Chemistry - A European Journal, Vol. 4, Núm. 12, pp. 2580-2592

  15. Dynamic light scattering and rheology of associating sulfonated polystyrene ionomers in non-polar solvents

    Polymer, Vol. 39, Núm. 8-9, pp. 1525-1532

  16. Effect of pore-modifier graphite on the performance of a zinc titanate sorbent in hot coal gas desulfurization

    Energy and Fuels, Vol. 12, Núm. 2, pp. 409-415

  17. Electrochemical behavior of electrodeposited Prussian blue films on ITO electrodes: An attractive laboratory experience

    Journal of Chemical Education, Vol. 75, Núm. 7, pp. 881-884

  18. Electrochemical behaviour of poly(neutral red) on an ITO electrode

    Journal of Electroanalytical Chemistry, Vol. 446, Núm. 1-2, pp. 47-55

  19. Electrochemical impedance spectroscopy of conductor-insulator composite electrodes: Properties in the blocking and diffusive regimes

    Journal of Electroanalytical Chemistry, Vol. 444, Núm. 2, pp. 173-186

  20. Evaluation of thermodynamic parameters for blends of polyethersulfone and poly(methyl methacrylate) or polystyrene in dimethylformamide

    Polymer, Vol. 39, Núm. 17, pp. 4023-4032