Publicacións en colaboración con investigadores/as de Universidad del País Vasco/Euskal Herriko Unibertsitatea (110)

2024

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

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

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

    Materials Today Chemistry, Vol. 37

  3. Prediction of long-term creep modulus of thermoplastics using brief tests and interpretable machine learning

    International Journal of Solids and Structures, Vol. 304

  4. Reverse intersystem crossing mechanisms in doped triangulenes

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 15, pp. 11459-11468

  5. Zwitterionic ring expansion polymerization of tert-butyl glycidyl ether with B(C6F5)3 towards the generation of cyclic chains

    Journal of Polymer Science, Vol. 62, Núm. 12, pp. 2704-2715

2023

  1. Air-Stable 14-Electron Rhodium(III) Complexes Bearing Si,N Ligands as Catalysts in Hydrolysis of Silanes

    Organometallics, Vol. 42, Núm. 20, pp. 2991-2998

  2. Few electron systems confined in Gaussian potential wells and connection to Hooke atoms

    International Journal of Quantum Chemistry, Vol. 123, Núm. 5

  3. Hydrogen Tunneling in Stoichiometric and Catalytic Reactions involving Transition Metals

    ChemCatChem, Vol. 15, Núm. 24

2022

  1. Combined DFT and MD Simulation Protocol to Characterize Self-Healing Properties in Disulfide-Containing Materials: Polyurethanes and Polymethacrylates as Case Studies

    Frontiers in Materials, Vol. 9

  2. Hydrogen Tunneling in Catalytic Hydrolysis and Alcoholysis of Silanes

    Angewandte Chemie - International Edition, Vol. 61, Núm. 36

  3. Metal-Polymer Heterojunction in Colloidal-Phase Plasmonic Catalysis

    Journal of Physical Chemistry Letters, Vol. 13, Núm. 10, pp. 2264-2272

  4. Ru-Catalyzed C−H Hydroxylation of Tyrosine-Containing Di- and Tripeptides toward the Assembly of L-DOPA Derivatives

    Advanced Synthesis and Catalysis, Vol. 364, Núm. 12, pp. 2072-2079

  5. The Wigner localization of interacting electrons in a one-dimensional harmonic potential

    The Journal of chemical physics, Vol. 157, Núm. 17, pp. 174107

2021

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

    Physical Review E, Vol. 104, Núm. 2

  2. Pd-Catalyzed C(sp2)−H Alkoxycarbonylation of Phenethyl- and Benzylamines with Chloroformates as CO Surrogates

    Chemistry - A European Journal, Vol. 27, Núm. 18, pp. 5782-5789

  3. Role of Dispersion Interactions in Endohedral TM@(ZnS)12Structures

    ACS Omega

  4. Theoretical characterization of new frustrated lewis pairs for responsive materials

    Polymers, Vol. 13, Núm. 10

2020

  1. Enantiospecific Response in Cross-Polarization Solid-State Nuclear Magnetic Resonance of Optically Active Metal Organic Frameworks

    Journal of the American Chemical Society, Vol. 142, Núm. 42, pp. 17989-17996

  2. On the Mechanism of Cross-Dehydrogenative Couplings between N-aryl Glycinates and Indoles: A Computational Study

    Journal of Organic Chemistry, Vol. 85, Núm. 20, pp. 13133-13140

  3. Proton-responsive Ruthenium(II) Catalysts for the Solvolysis of Ammonia-Borane

    Organometallics, Vol. 39, Núm. 8, pp. 1238-1248