2024

1. A glimpse inside materials: Polymer structure – Glass transition temperature relationship as observed by a trained artificial intelligence

   Computational Materials Science, Vol. 236

2. A seamless graphene spin valve based on proximity to van der Waals magnet Cr2Ge2Te6

   Nature Electronics

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

   Advances in Quantum Chemistry (Academic Press Inc.), pp. 15-66

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

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

5. Alloxazine-Based Ligands and Their Ruthenium Complexes as NADH Oxidation Catalysts and G4 Binders

   Inorganic Chemistry, Vol. 63, Núm. 35, pp. 16362-16373

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

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

7. Anopore confinement in the cyanobiphenyl-based liquid crystal dimer CB7CB. A dielectric study

   Liquid Crystals, Vol. 51, Núm. 8-9, pp. 1537-1545

8. 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

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

   Advanced Functional Materials, Vol. 34, Núm. 45

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

    Physical Review B, Vol. 109, Núm. 12

11. Atomistic molecular simulations of Aβ-Zn conformational ensembles

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

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

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

13. Boosting synergistic effects between PtGe nanoalloys and 2D materials for PEMFC applications

    International Journal of Hydrogen Energy, Vol. 89, pp. 233-253

14. CO and O2 Interaction with Kinked Pt Surfaces

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

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

    Advanced Optical Materials, Vol. 12, Núm. 21

16. Computing Floquet quasienergies in finite and extended systems: Role of electromagnetic and quantum-geometric gauges

    Physical Review B, Vol. 110, Núm. 12

17. 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

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

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

19. 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

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

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