Publicaciones (34) Publicaciones de ELOY RAMOS CORDOBA

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

    Journal of Chemical Theory and Computation

2022

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

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

  2. Natural range separation of the Coulomb hole

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

  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

  5. Role of Dispersion Interactions in Endohedral TM@(ZnS)12Structures

    ACS Omega

  6. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Journal of Chemical Physics, Vol. 155, Núm. 8

2020

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

    Molecules, Vol. 25, Núm. 3

2019

  1. Nine questions on energy decomposition analysis

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

  2. Singling Out Dynamic and Nondynamic Correlation

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

  3. The Coulomb Hole of the Ne Atom

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

2017

  1. Comprehensive benchmarking of density matrix functional approximations

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 35, pp. 24029-24041

  2. Electron correlation effects in third-order densities

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 6, pp. 4522-4529

  3. Local Descriptors of Dynamic and Nondynamic Correlation

    Journal of Chemical Theory and Computation, Vol. 13, Núm. 6, pp. 2705-2711

2016

  1. A computational study of radical initiated protein backbone homolytic dissociation on all natural amino acids

    Physical chemistry chemical physics : PCCP, Vol. 18, Núm. 45, pp. 30972-30981