Publicaciones (55) Publicaciones en las que ha participado algún/a investigador/a

2003

  1. A new chemical index inspired by biological plastic evolution

    Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry, Vol. 42, Núm. 6, pp. 1258-1263

  2. A theoretical analysis of the excited states in 2-benzoylthiophene

    Molecular Physics, Vol. 101, Núm. 13, pp. 1977-1982

  3. A theoretical study of solvent effects on the conformational equilibria of neutral glycine in aqueous solution

    Journal of Molecular Structure: THEOCHEM, Vol. 623, Núm. 1-3, pp. 203-210

  4. Amino acid sequence and homology modeling of obtustatin, a novel non-RGD-containing short disintegrin isolated from the venom of Vipera lebetina obtusa

    Protein Science, Vol. 12, Núm. 2, pp. 366-371

  5. An accurate quartic force field and fundamental frequencies for the ozonide anion: A rare positive anharmonicity for the antisymmetric stretch

    Collection of Czechoslovak Chemical Communications, Vol. 68, Núm. 1, pp. 189-201

  6. Aplicación de un puente LCR en la caracterización de superficies de níquel tratadas voltamperométricamente en medio acido en ausencia y presencia de ión cloruro

    Revista de metalurgia, Vol. 39, Núm. 5, pp. 346-356

  7. Application of molecular topology to the prediction of antifungal activity for a set of dication-substituted carbazoles, furans and benzimidazoles

    Journal of Molecular Structure: THEOCHEM, Vol. 624, Núm. 1-3, pp. 97-107

  8. Azacrownlactams Derived from Biphenyl. Study of Their Conformations, Complexation Ability and Electrochemical Behavior

    Journal of Inclusion Phenomena, Vol. 45, Núm. 3-4, pp. 241-249

  9. Binding of vinyl polymers to anionic model membranes.

    Cellular and molecular biology (Noisy-le-Grand, France), Vol. 49, Núm. 6, pp. 991-998

  10. Catalytic Mechanism of Dihydrofolate Reductase Enzyme. A Combined Quantum-Mechanical/Molecular-Mechanical Characterization of the N5 Protonation Step

    Journal of Physical Chemistry B, Vol. 107, Núm. 50, pp. 14036-14041

  11. Cleaning graffitis on urban buildings by use of second and third harmonic wavelength of a Nd:YAG laser: A comparative study

    Applied Surface Science, Vol. 207, Núm. 1-4, pp. 86-99

  12. Comparative evaluation of the swelling and degrees of cross-linking in three organic gel packings for SEC through some geometric parameters

    Journal of Biochemical and Biophysical Methods, Vol. 56, Núm. 1-3, pp. 53-67

  13. Concerted Motions of the Integrin-binding Loop and the C-terminal Tail of the Non-RGD Disintegrin Obtustatin

    Journal of Biological Chemistry, Vol. 278, Núm. 46, pp. 45570-45576

  14. Conformational equilibrium of chorismate. A QM/MM theoretical study combining statistical simulations and geometry optimisations in gas phase and in aqueous solution

    Journal of Molecular Structure: THEOCHEM, Vol. 632, Núm. 1-3, pp. 197-206

  15. Coupled cluster calculations of the vertical excitation energies of tetracyanoethylene

    Journal of Chemical Physics, Vol. 118, Núm. 18, pp. 8216-8222

  16. Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. I. Di-hydro-pyrrolo-pyrrole isomers

    Journal of Chemical Physics, Vol. 119, Núm. 11, pp. 5518-5526

  17. Discrimination and selection of new potential antibacterial compounds using simple topological descriptors

    Journal of Molecular Graphics and Modelling, Vol. 21, Núm. 5, pp. 375-390

  18. Drugs and Nondrugs: An Effective Discrimination with Topological Methods and Artificial Neural Networks

    Journal of Chemical Information and Computer Sciences, Vol. 43, Núm. 5, pp. 1688-1702

  19. EIS and Ac-electrogravimetry study of PB films in KCl, NaCl, and CsCl aqueous solutions

    Journal of Physical Chemistry B, Vol. 107, Núm. 41, pp. 11321-11330

  20. EQCM and EIS studies of Znaq2+ + 2e- ⇄ Zn0 electrochemical reaction in moderated acid medium

    Journal of Electroanalytical Chemistry, Vol. 558, Núm. 1-2, pp. 25-33