Publicacións (68) Publicacións nas que participase algún/ha investigador/a

2015

  1. A tryptophan-substituted cholic acid: Expanding the family of labelled biomolecules

    Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 483, pp. 142-149

  2. Ag2 and Ag3 Clusters: Synthesis, Characterization, and Interaction with DNA

    Angewandte Chemie - International Edition, Vol. 54, Núm. 26, pp. 7612-7616

  3. An automated method to find transition states using chemical dynamics simulations

    Journal of Computational Chemistry, Vol. 36, Núm. 4, pp. 222-234

  4. An automated transition state search using classical trajectories initialized at multiple minima

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 22, pp. 14912-14921

  5. An axisymmetric model for the analysis of dynamic surface tension

    RSC Advances, Vol. 5, Núm. 11, pp. 7921-7931

  6. Applicability of medium-size basis sets in calculations of molecular dynamic polarisabilities

    Molecular Physics, Vol. 113, Núm. 13-14, pp. 1786-1793

  7. Arsenate and phosphate adsorption on ferrihydrite nanoparticles. Synergetic interaction with calcium ions

    Chemical Geology, Vol. 410, pp. 53-62

  8. Bile salts and derivatives: Rigid unconventional amphiphiles as dispersants, carriers and superstructure building blocks

    Current Opinion in Colloid and Interface Science, Vol. 20, Núm. 3, pp. 170-182

  9. Composite membranes with hydrophilic nanopores derived from the self-assembly of block copolymer supramolecular complexes

    European Polymer Journal, Vol. 62, pp. 108-115

  10. Controlling Bimetallic Nanostructures by the Microemulsion Method with Subnanometer Resolution Using a Prediction Model

    Langmuir, Vol. 31, Núm. 27, pp. 7435-7439

  11. Copolymers with acetyl-protected thiol pendant groups as highly efficient stabilizing agents for gold surfaces

    RSC Advances, Vol. 5, Núm. 18, pp. 13722-13726

  12. Core-Shell Nanocatalysts Obtained in Reverse Micelles: Structural and Kinetic Aspects

    Journal of Nanomaterials, Vol. 2015

  13. DFT and Kinetic Monte Carlo Study of TMS-Substituted Ruthenium Vinyl Carbenes: Key Intermediates for Stereoselective Cyclizations

    ACS Catalysis, Vol. 5, Núm. 11, pp. 6255-6262

  14. Effect of ionization on the behavior of n-eicosanephosphonic acid monolayers at the air/water interface. experimental determinations and molecular dynamics simulations

    Langmuir, Vol. 31, Núm. 8, pp. 2269-2280

  15. Electronic Degeneracy and Intrinsic Magnetic Properties of Epitaxial Nb:SrTiO3 Thin Films Controlled by Defects

    Physical Review Letters, Vol. 115, Núm. 16

  16. Epitaxial CrN Thin films with high thermoelectric figure of merit

    Advanced Materials, Vol. 27, Núm. 19, pp. 3032-3037

  17. Excited-state proton and charge transfer in protonated amino and methylated derivatives of 2-(2′-hydroxyphenyl)benzimidazole

    Journal of Physical Chemistry B, Vol. 119, Núm. 6, pp. 2475-2489

  18. Excluding hyperconjugation from the Z conformational preference and investigating its origin: formic acid and beyond

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 40, pp. 26946-26954

  19. Exploring the charged nature of supramolecular micelles based on p-sulfonatocalix[6]arene and dodecyltrimethylammonium bromide

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 39, pp. 26378-26385

  20. Exploring the versatility of the gCH topological electronegativity estimator

    Computational and Theoretical Chemistry, Vol. 1053, pp. 85-89