Publicaciones (89) Publicaciones en las que ha participado algún/a investigador/a

2024

  1. A Micromechanical Study of Interactions of Cyanate Ester Monomer with Graphene or Boron Nitride Monolayer

    Materials, Vol. 17, Núm. 1

  2. A Thermodynamic Landscape of Hydrogen Cyanide-Derived Molecules and Polymers

    ACS Earth and Space Chemistry, Vol. 8, Núm. 6, pp. 1272-1280

  3. A study of complexation and biological fate of polyethyleneimine-siRNA polyplexes in vitro and in vivo by fluorescence correlation spectroscopy and positron emission tomography imaging

    Nanoscale, Vol. 22, Núm. 16

  4. Absolute control over the quantum yield of a photodissociation reaction mediated by nonadiabatic couplings

    Chemical Science

  5. Accuracy limit of non-polarizable four-point water models: TIP4P/2005 vs OPC. Should water models reproduce the experimental dielectric constant?

    Journal of Chemical Physics, Vol. 161, Núm. 4

  6. Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields

    Journal of Physical Chemistry Letters, Vol. 15, Núm. 16, pp. 4477-4485

  7. Aqueous dispersions of oleic acid nanodroplets for thymol encapsulation

    Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 690

  8. Atomic contributions to ZnO mechanical properties at negative and positive pressures

    Results in Physics, Vol. 60

  9. Base pairs with 5-chloroorotic acid and comparison with the natural nucleobase. Structural and spectroscopic study, and three suggested antiviral modified nucleosides

    Journal of Biomolecular Structure and Dynamics, Vol. 42, Núm. 10, pp. 4956-4984

  10. C60-based Multivalent Glycoporphyrins Inhibit SARS-CoV-2 Specific Interaction with the DC-SIGN Transmembrane Receptor

    Small, Vol. 20, Núm. 19

  11. Coherent multidimensional spectroscopy in polariton systems

    Physical Review A, Vol. 109, Núm. 6

  12. Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks

    Journal of Chemical Physics, Vol. 160, Núm. 11

  13. Confinement enhanced viscosity vs shear thinning in lubricated ice friction

    Journal of Chemical Physics

  14. Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen

    Faraday Discussions, Vol. 251, pp. 523-549

  15. Crystallization-induced diastereomer transformation assists the diastereoselective synthesis of 4-nitroisoxazolidine scaffolds

    Organic and Biomolecular Chemistry, Vol. 22, Núm. 32, pp. 6582-6592

  16. Current advances for in vitro protein digestibility

    Frontiers in Nutrition, Vol. 11

  17. Density Functional Theory Study of the Crystal Structure and Infrared Spectrum of a Synthetized Ettringite Mineral

    Minerals, Vol. 14, Núm. 8

  18. Determination of collision mechanisms at low energies using four-vector correlations

    Faraday Discussions, Vol. 251, pp. 104-124

  19. Dilution-controlled deposition of mixtures of a synthetic polycation and a natural origin polyelectrolyte with anionic surfactants on negatively charged surfaces

    Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 685

  20. Dissociative photoionization of acetaldehyde in the 10.2-19.5 eV VUV range

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 32, pp. 21441-21452