2024

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

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

2. Atomistic molecular simulations of Aβ-Zn conformational ensembles

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

3. 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

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

   Chemical Science

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

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

6. 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

7. Ferromagnetism on an atom-thick & extended 2D metal-organic coordination network

   Nature Communications, Vol. 15, Núm. 1

8. Gold-Promoted Biocompatible Selenium Arylation of Small Molecules, Peptides and Proteins

   Chemistry - A European Journal, Vol. 30, Núm. 15

9. High-throughput virtual search of small molecules for controlling the mechanical stability of human CD4

   Journal of Biological Chemistry, Vol. 300, Núm. 4

10. Kaolin Clay-Based Geopolymer for Ionic Thermoelectric Energy Harvesting

    ACS Omega, Vol. 9, Núm. 12, pp. 13728-13737

11. Kinetics of heterogeneous polymerization of glycidol with B(C6F5)3 in toluene in the absence and presence of water

    Materials Today Chemistry, Vol. 37

12. Modulated spin dynamics of [Co2] coordination helicates via differential strand composition

    Dalton Transactions

13. Multicoverage Study of Femtosecond Laser-Induced Desorption of CO from Pd(111)

    Journal of Physical Chemistry Letters, Vol. 15, Núm. 9, pp. 2587-2594

14. Multistep magnetization switching in orthogonally twisted ferromagnetic monolayers

    Nature Materials, Vol. 23, Núm. 2, pp. 212-218

15. Odd Nonlinear Conductivity under Spatial Inversion in Chiral Tellurium

    Physical Review Letters, Vol. 132, Núm. 4

16. On-demand reversible switching of the emission mode of individual semiconductor quantum emitters using plasmonic metasurfaces

    APL Photonics, Vol. 9, Núm. 1

17. Reverse intersystem crossing mechanisms in doped triangulenes

    Physical Chemistry Chemical Physics

18. Temperature-Modulated Reversible Clustering of Gold Nanorods Driven by Small Surface Ligands

    Chemistry - A European Journal, Vol. 30, Núm. 2

19. The PointGroupNRG code for numerical renormalization group calculations with discrete point-group symmetries

    Computer Physics Communications, Vol. 296

20. Time evolution of natural orbitals in ab initio molecular dynamics

    Journal of Chemical Physics, Vol. 160, Núm. 7