Publicaciones en colaboración con investigadoras/es de Donostia International Physics Center (1.238)

2024

  1. Advances in approximate natural orbital functionals: From historical perspectives to contemporary developments

    Advances in Quantum Chemistry (Academic Press Inc.)

  2. All-Purpose Measure of Electron Correlation for Multireference Diagnostics

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 2, pp. 721-727

  3. Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties

    The Journal of chemical physics, Vol. 160, Núm. 21

  4. Artificial Photosynthases: Single-Chain Nanoparticles with Manifold Visible-Light Photocatalytic Activity for Challenging “in Water” Organic Reactions

    Journal of the American Chemical Society, Vol. 146, Núm. 21, pp. 14397-14403

  5. Artificial Spores as Multi-Functional Biocatalysts to Perform Biosynthetic Cascades

    Advanced Functional Materials

  6. Atomically precise step grids for the engineering of helical states

    Physical Review B, Vol. 109, Núm. 12

  7. Atomistic molecular simulations of Aβ-Zn conformational ensembles

    Proteins: Structure, Function and Bioinformatics, Vol. 92, Núm. 1, pp. 134-144

  8. Biallelic variants in SNUPN cause a limb girdle muscular dystrophy with myofibrillar-like features

    Brain, Vol. 147, Núm. 8, pp. 2867-2883

  9. CO and O2 Interaction with Kinked Pt Surfaces

    ACS Catalysis , Vol. 14, Núm. 8, pp. 6319-6327

  10. Circularly Polarized Photoluminescence in Chiral Hybrid Organic–Inorganic Manganese Halide Perovskites: From Bulk Materials to Exfoliated Flakes

    Advanced Optical Materials, Vol. 12, Núm. 21

  11. Cool Concrete Incorporating Carbonated Periwinkle Shell: A Sustainable Solution for Mitigating Urban Heat Island Effects

    ACS Sustainable Chemistry and Engineering, Vol. 12, Núm. 5, pp. 1911-1917

  12. Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene

    Chemical Science, Vol. 15, Núm. 16, pp. 6151-6159

  13. Dehydration of alcohols catalyzed by copper(ii) sulfate: type II dyotropic reactions and stepwise mechanisms

    Organic and Biomolecular Chemistry, Vol. 22, Núm. 9, pp. 1800-1811

  14. Demonstration of event position reconstruction based on diffusion in the NEXT-white detector

    European Physical Journal C, Vol. 84, Núm. 5

  15. Design, characterization and installation of the NEXT-100 cathode and electroluminescence regions

    Journal of Instrumentation, Vol. 19, Núm. 2

  16. Dynamics of Single-Chain Nanoparticles under Crowding: A Neutron Spin Echo Study

    Macromolecules, Vol. 57, Núm. 10, pp. 4706-4716

  17. Electrical control of magnetism by electric field and current-induced torques

    Reviews of Modern Physics, Vol. 96, Núm. 1

  18. Enantiopure [6]-Azairidahelicene by Dynamic Kinetic Resolution of a Configurationally Labile [4]-Helicene

    Angewandte Chemie - International Edition, Vol. 63, Núm. 26

  19. Error estimation in current noisy quantum computers

    Quantum Information Processing, Vol. 23, Núm. 5

  20. Excited States by Coupling Piris Natural Orbital Functionals with the Extended Random-Phase Approximation

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 5, pp. 2140-2151