Publicaciones en las que colabora con Eduard Matito (43)

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

  4. Spurious Oscillations Caused by Density Functional Approximations: Who is to Blame? Exchange or Correlation?

    Journal of Chemical Theory and Computation

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. Natural range separation of the Coulomb hole

    The Journal of chemical physics, Vol. 156, Núm. 18, pp. 184106

  4. 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. Aromaticity descriptors based on electron delocalization

    Aromaticity: modern computational methods and applications (Elsevier Science), pp. 235-258

  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. Nine questions on energy decomposition analysis

    Journal of Computational Chemistry, Vol. 40, Núm. 26, pp. 2248-2283

  3. Partition of optical properties into orbital contributions

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

  4. Singling Out Dynamic and Nondynamic Correlation

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 14, pp. 4032-4037