Publicaciones en colaboración con investigadoras/es de Ikerbasque, Fundación Vasca para la Ciencia (20)

2023

  1. Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins

    Chemistry - A European Journal, Vol. 29, Núm. 6

2022

  1. Enhancing Dual-State Emission in Maleimide Fluorophores through Fluorocarbon Functionalisation

    Chemistry - A European Journal, Vol. 28, Núm. 58

  2. Reply to the Correspondence on “How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring”**

    Angewandte Chemie - International Edition

2021

  1. Aromaticity descriptors based on electron delocalization

    Aromaticity: Modern Computational Methods and Applications (Elsevier), pp. 235-259

  2. Fast and Simple Evaluation of the Catalysis and Selectivity Induced by External Electric Fields

    ACS Catalysis, Vol. 11, Núm. 23, pp. 14467-14479

  3. Fluorescent Imidazo[1,2-a]pyrimidine Compounds as Biocompatible Organic Photosensitizers that Generate Singlet Oxygen: A Potential Tool for Phototheranostics

    Chemistry - A European Journal, Vol. 27, Núm. 20, pp. 6213-6222

  4. How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring**

    Angewandte Chemie - International Edition, Vol. 60, Núm. 45, pp. 24080-24088

  5. Rigidochromism by imide functionalisation of an aminomaleimide fluorophore

    Chemical Science, Vol. 12, Núm. 31, pp. 10550-10557

2020

  1. Discovering Biomolecules with Huisgenase Activity: Designed Repeat Proteins as Biocatalysts for (3 + 2) Cycloadditions

    Journal of the American Chemical Society, Vol. 142, Núm. 2, pp. 762-776

  2. How do the Hückel and Baird Rules Fade away in Annulenes?

    Molecules, Vol. 25, Núm. 3

  3. Manipulating the fluorescence lifetime at the sub-cellular scale via photo-switchable barcoding

    Nature Communications, Vol. 11, Núm. 1

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

  2. New electron delocalization tools to describe the aromaticity in porphyrinoids

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 4, pp. 2787-2796

  3. Rational design of substituted maleimide dyes with tunable fluorescence and solvafluorochromism

    Chemical Communications, Vol. 54, Núm. 27, pp. 3339-3342

  4. Stereoselectivity, different oxidation states, and multiple spin states in the cyclopropanation of olefins catalyzed by fe-porphyrin complexes

    ACS Catalysis, Vol. 8, Núm. 12, pp. 11140-11153

2017

  1. Angular momentum–induced delays in solid-state photoemission enhanced by intra-atomic interactions

    Science, Vol. 357, Núm. 6357, pp. 1274-1277

  2. Design of Hückel-Möbius Topological Switches with High Nonlinear Optical Properties

    Journal of Physical Chemistry C, Vol. 121, Núm. 35, pp. 19348-19357

  3. Relevance of the DFT method to study expanded porphyrins with different topologies

    Journal of Computational Chemistry, Vol. 38, Núm. 32, pp. 2819-2828

  4. Two-State Reactivity of Histone Demethylases Containing Jumonji-C Active Sites: Different Mechanisms for Different Methylation Degrees

    Chemistry - A European Journal, Vol. 23, Núm. 1, pp. 137-148

2015

  1. Microwave-Assisted Organocatalyzed Rearrangement of Propargyl Vinyl Ethers to Salicylaldehyde Derivatives: An Experimental and Theoretical Study

    Chemistry - A European Journal, Vol. 21, Núm. 50, pp. 18280-18289