Publicaciones (224) Publicaciones en las que ha participado algún/a investigador/a

2017

  1. A New Type of Scaling Relations to Assess the Accuracy of Computational Predictions of Catalytic Activities Applied to the Oxygen Evolution Reaction

    ChemCatChem, Vol. 9, Núm. 7, pp. 1261-1268

  2. A computational study on interaction of aluminum with d-glucose 6-phosphate for various stoichiometries

    RSC Advances, Vol. 7, Núm. 10, pp. 6064-6079

  3. A first-principles time-dependent density functional theory framework for spin and time-resolved angular-resolved photoelectron spectroscopy in periodic systems

    Journal of Chemical Theory and Computation, Vol. 13, Núm. 1, pp. 265-273

  4. A gateway towards non-collinear spin processing using three-atom magnets with strong substrate coupling

    Nature Communications, Vol. 8, Núm. 1

  5. Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures

    Israel Journal of Chemistry, Vol. 57, Núm. 6, pp. 540-546

  6. Accelerated ageing of hybrid acrylic waterborne coatings containing metal oxide nanoparticles: Effect on the microstructure

    Surface and Coatings Technology, Vol. 321, pp. 484-490

  7. Accounting for bifurcating pathways in the screening for CO2 reduction catalysts

    ACS Catalysis, Vol. 7, Núm. 10, pp. 7346-7351

  8. Acrylic-based composite latexes containing nano-sized liquid crystalline domains

    Polymer, Vol. 108, pp. 288-300

  9. Active quinine-based films able to release antimicrobial compounds: Via melt quaternization at low temperature

    Journal of Materials Chemistry B, Vol. 6, Núm. 1, pp. 98-104

  10. Advances in Fluorescent Single-Chain Nanoparticles

    Molecules, Vol. 22, Núm. 11

  11. Advances in single-chain nanoparticles for catalysis applications

    Nanomaterials, Vol. 7, Núm. 10

  12. Amine containing cationic methacrylate copolymers as efficient gene delivery vehicles to retinal epithelial cells

    Journal of Polymer Science, Part A: Polymer Chemistry, Vol. 55, Núm. 2, pp. 280-287

  13. Analytic gradients for natural orbital functional theory

    Journal of Chemical Physics, Vol. 146, Núm. 1

  14. Angular momentum–induced delays in solid-state photoemission enhanced by intra-atomic interactions

    Science, Vol. 357, Núm. 6357, pp. 1274-1277

  15. Anomalous anisotropic exciton temperature dependence in rutile TiO2

    Physical Review B, Vol. 96, Núm. 4

  16. Anomalous magnetism in hydrogenated graphene

    Physical Review B, Vol. 96, Núm. 2

  17. Antibacterial silk fibroin/nanohydroxyapatite hydrogels with silver and gold nanoparticles for bone regeneration

    Nanomedicine: Nanotechnology, Biology, and Medicine, Vol. 13, Núm. 1, pp. 231-239

  18. Antimicrobial polyurethane foams having cationic ammonium groups

    Journal of Applied Polymer Science, Vol. 134, Núm. 45

  19. Aromatic diselenide crosslinkers to enhance the reprocessability and self-healing of polyurethane thermosets

    Polymer Chemistry, Vol. 8, Núm. 23, pp. 3641-3646

  20. Aromaticity, the Hückel 4 n+2 Rule and Magnetic Current

    ChemistrySelect, Vol. 2, Núm. 3, pp. 863-870