Publicaciones en colaboración con investigadoras/es de Donostia International Physics Center (14)

2023

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

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

2022

  1. 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 Science), pp. 235-258

  2. Aromaticity descriptors based on electron delocalization

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

  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

2020

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

    Molecules, Vol. 25, Núm. 3

  2. 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. 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