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 critical examination of the physics behind the formation of particle-laden fluid interfaces

    Current Opinion in Colloid and Interface Science, Vol. 74

  4. 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

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

    Chemical Science, Vol. 15, Núm. 37, pp. 15255-15262

  6. 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

  7. 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

  8. Aqueous dispersions of oleic acid nanodroplets for thymol encapsulation

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

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

    Results in Physics, Vol. 60

  10. 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

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

    Small, Vol. 20, Núm. 19

  12. Coherent multidimensional spectroscopy in polariton systems

    Physical Review A, Vol. 109, Núm. 6

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

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

  14. Coupling in vitro food digestion with in vitro epithelial absorption; recommendations for biocompatibility

    Critical Reviews in Food Science and Nutrition, Vol. 64, Núm. 26, pp. 9618-9636

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

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

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

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

  17. Current advances for in vitro protein digestibility

    Frontiers in Nutrition, Vol. 11

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

    Minerals, Vol. 14, Núm. 8

  19. Density isobar of water and melting temperature of ice: Assessing common density functionals

    Journal of Chemical Physics, Vol. 161, Núm. 13

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

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