All Stories

  1. Code dependence of calculated crystalline electron densities. Possible lessons for quantum crystallography

    Article • IUCrJ, March 2025, International Union of Crystallography

    Ángel Martín

  2. Persistence of atoms in molecules: there is room beyond electron densities

    Article • IUCrJ, February 2024, International Union of Crystallography

    Ángel Martín

  3. The Ehrenfest force field: A perspective based on electron density functions

    Article • The Journal of Chemical Physics, December 2023, American Institute of Physics

    Ángel Martín, Professor Ángel Martín Pendás

  4. Calculation of the ELF in the excited state with single-determinant methods

    Article • The Journal of Chemical Physics, May 2023, American Institute of Physics

    Ángel Martín, Professor Ángel Martín Pendás

  5. Atomic shell structure from Born probabilities: Comparison to other shell descriptors and persistence in molecules

    Article • The Journal of Chemical Physics, April 2022, American Institute of Physics

    Ángel Martín, Professor Ángel Martín Pendás

  6. NNAIMQ: A neural network model for predicting QTAIM charges

    Article • The Journal of Chemical Physics, January 2022, American Institute of Physics

    Ángel Martín, Professor Ángel Martín Pendás