Publicaciones en las que colabora con Eduard Matito (32)

2024

  1. All-Purpose Measure of Electron Correlation for Multireference Diagnostics

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 2, pp. 721-727

2023

  1. Aufbau principle and singlet-triplet gap in spherical Hooke atoms

    International Journal of Quantum Chemistry, Vol. 123, Núm. 3

  2. Pitfall in simulations of vibronic TD-DFT spectra: diagnosis and assessment

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 44, pp. 30193-30197

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

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

2022

  1. Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations

    Journal of Chemical Theory and Computation, Vol. 18, Núm. 2, pp. 1046-1060

  2. How Reliable Are Modern Density Functional Approximations to Simulate Vibrational Spectroscopies?

    The journal of physical chemistry letters, Vol. 13, Núm. 25, pp. 5963-5968

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

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

  4. How Many Electrons Does a Molecular Electride Hold?

    Journal of Physical Chemistry A, Vol. 125, Núm. 22, pp. 4819-4835

2020

  1. A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 21, pp. 11871-11880

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

    Molecules, Vol. 25, Núm. 3

  3. Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 29, pp. 16579-16594

2019

  1. Can Density Functional Theory Be Trusted for High-Order Electric Properties? the Case of Hydrogen-Bonded Complexes

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 6, pp. 3570-3579

  2. Partition of optical properties into orbital contributions

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 28, pp. 15380-15391

  3. The Coulomb Hole of the Ne Atom

    ChemistryOpen, Vol. 8, Núm. 4, pp. 411-417

2018

  1. Electron-Pair Distribution in Chemical Bond Formation

    Journal of Physical Chemistry A, Vol. 122, Núm. 7, pp. 1916-1923

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

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

  3. Tuning the affinity of catechols and salicylic acids towards Al(III): Characterization of Al-chelator interactions

    Dalton Transactions, Vol. 47, Núm. 29, pp. 9592-9607