Publicaciones en colaboración con investigadoras/es de Donostia International Physics Center (12)

2023

  1. One- and Two-Electron Reductions in MiniSOG and their Implication in Catalysis**

    ChemPhysChem, Vol. 24, Núm. 15

2022

  1. Flavin-mediated photoactivation of Pt(IV) anticancer complexes: computational insights on the catalytic mechanism

    Physical chemistry chemical physics : PCCP, Vol. 24, Núm. 9, pp. 5323-5329

2021

  1. Computational approach to (ZnS)i nanoclusters in ionic liquids

    Physical Review E, Vol. 104, Núm. 2

  2. Enhancing the Photocatalytic Conversion of Pt(IV) Substrates by Flavoprotein Engineering

    Journal of Physical Chemistry Letters, Vol. 12, Núm. 19, pp. 4504-4508

2020

  1. Flavin bioorthogonal photocatalysis toward platinum substrates

    ACS Catalysis, Vol. 10, Núm. 1, pp. 187-196

  2. Lignin solvation by ionic liquids: The role of cation

    Journal of Molecular Liquids, Vol. 303

2017

  1. Riboflavin as a bioorthogonal photocatalyst for the activation of a PtIV prodrug

    Chemical Science, Vol. 8, Núm. 6, pp. 4619-4625

  2. The trans Effect in Palladium Phosphine Sulfonate Complexes

    Journal of Physical Chemistry A, Vol. 121, Núm. 40, pp. 7709-7716

2010

  1. Ab initio study of microsolvated Al3+-aromatic amino acid complexes

    Journal of Physical Chemistry B, Vol. 114, Núm. 27, pp. 9017-9022

  2. Erratum: Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer (J. Chem. Phys. (2008) 128 (194315)

    Journal of Chemical Physics

2008

  1. Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer

    Journal of Chemical Physics, Vol. 128, Núm. 19

2007

  1. A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities

    Journal of Inorganic Biochemistry, Vol. 101, Núm. 9 SPEC. ISS., pp. 1192-1200