Publicaciones en colaboración con investigadoras/es de Donostia International Physics Center (37)

2024

  1. Amplifying Sensing Capabilities: Combining Plasmonic Resonances and Fresnel Reflections through Multivariate Analysis

    Small Methods

  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. MLe-KCNQ2: An Artificial Intelligence Model for the Prognosis of Missense KCNQ2 Gene Variants

    International Journal of Molecular Sciences, Vol. 25, Núm. 5

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

    Journal of Polymer Science

2023

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

    ChemPhysChem, Vol. 24, Núm. 15

  2. Synthesis and Characterization of a Luminescent Cyclic Poly(ethylene oxide)-Polypyridyl Ruthenium Complex

    ACS Macro Letters, Vol. 12, Núm. 7, pp. 999-1004

2022

  1. Quantum surface effects in the electromagnetic coupling between a quantum emitter and a plasmonic nanoantenna: time-dependent density functional theory vs. semiclassical Feibelman approach

    Optics Express, Vol. 30, Núm. 12, pp. 21159-21183

  2. Reactivity of B(C6F5)3 towards glycidol: The formation of branched cyclic polyglycidol structures

    European Polymer Journal, Vol. 171

2021

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

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

  2. Mild Open-Shell Character of BODIPY and Its Impact on Singlet and Triplet Excitation Energies

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 9, pp. 5825-5838

2020

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

    Journal of Molecular Liquids, Vol. 303

  2. Synthesis of Macrocyclic Poly(glycidyl phenyl ether) with an Inverted-Dipole Microstructure via Ring Closure of Two-Arm Linear Precursors Obtained by Initiation with t-BuP4/Water

    Macromolecules, Vol. 53, Núm. 22, pp. 10005-10014

  3. Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation

    Journal of Inorganic Biochemistry, Vol. 210

2019

  1. Does phosphorylation increase the binding affinity of aluminum? A computational study on the aluminum interaction with serine and O-phosphoserine

    Journal of Inorganic Biochemistry, Vol. 192, pp. 33-44

  2. Effect of Regioisomerism on Processability and Mechanical Properties of Amine/Urea Exchange Based Poly(urea-urethane) Vitrimers

    ACS Applied Polymer Materials, Vol. 1, Núm. 9, pp. 2472-2481

  3. Improvement of the electrochemical and singlet fission properties of anthraquinones by modification of the diradical character

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 15, pp. 7941-7952

  4. One pot stimuli-responsive linear waterborne polyurethanes via Diels-Alder reaction

    Progress in Organic Coatings, Vol. 130, pp. 31-43

  5. Synthesis of macrocyclic poly(ethylene oxide)s containing a protected thiol group: A strategy for decorating gold surfaces with ring polymers

    Polymer Chemistry, Vol. 10, Núm. 47, pp. 6495-6504

  6. Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis

    ChemPhysChem, Vol. 20, Núm. 19, pp. 2443-2450

2018

  1. Density Functional Theory Study on the Demethylation Reaction between Methylamine, Dimethylamine, Trimethylamine, and Tamoxifen Catalyzed by a Fe(IV)-Oxo Porphyrin Complex

    Journal of Physical Chemistry A, Vol. 122, Núm. 6, pp. 1658-1671