Publications by the researcher in collaboration with EVELIO FRANCISCO MIGUELEZ (156)

2026

  1. A one-electron perspective on dative and ionic bonding

    Chemical Science, Vol. 17, Núm. 26, pp. 13201-13210

  2. Chemical Information From the Ehrenfest Force Field Based on Reduced Density Matrix Functional Theory

    Journal of Computational Chemistry, Vol. 47, Núm. 5

  3. Donor–Acceptor Strength from the Real-Space-Partitioning of One Particle Transition Density Matrix

    Journal of Physical Chemistry A, Vol. 130, Núm. 28, pp. 5367-5373

  4. Local spin of atoms in molecules: relation to electron localization and delocalization

    Structural Chemistry, Vol. 37, Núm. 4, pp. 1689-1701

  5. Shannon and Rényi Entropies of Molecular Densities Under Atomic Partitioning: Insights Into Extensity and an Incomplete Description of Electron Correlation

    International Journal of Quantum Chemistry, Vol. 126, Núm. 10

2025

  1. Can we talk about ionic bonds in molecules? Yes, just as we do for covalent bonds

    Physical Chemistry Chemical Physics

  2. Can we talk about ionic bonds in molecules? Yes, just as we do for covalent bonds

    Physical Chemistry Chemical Physics, Vol. 27, Núm. 4, pp. 1789-1793

  3. Effect of Explicit Hydration on the Cisplatin Reaction Mechanism with Adenine and Guanine

    Molecules, Vol. 30, Núm. 3

  4. Exhaustive Spatial Sampling for Complete Topology of the Electrostatic Potential

    Journal of Computational Chemistry, Vol. 46, Núm. 20

  5. Interacting Quantum Atoms Analysis of Covalent and Collective Interactions in Single Elongated Carbon–Carbon Bonds

    Molecules, Vol. 30, Núm. 21

  6. Linnett is Back: Chemical Bonding through the Lens of Born Maxima

    Journal of Chemical Theory and Computation, Vol. 21, Núm. 5, pp. 2448-2461

  7. Linnett is Back: Chemical Bonding through the Lens of Born Maxima

    Journal of Chemical Theory and Computation

  8. Real Space Partitioning of the First Hyperpolarizability

    Journal of Physical Chemistry A, Vol. 129, Núm. 29, pp. 6562-6571

  9. Structural evolution and bonding within molybdenum-doped tin clusters, MoSnn (n = 2 – 15)

    Inorganica Chimica Acta, Vol. 577

2024

  1. A Dynamical Density Field That Shows the Localizability of Electrons: The Exchange-Correlation Ehrenfest Force

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 22, pp. 9894-9905

  2. Atoms in Molecules

    Exploring Chemical Concepts Through Theory and Computation (wiley), pp. 189-206

2023

  1. Atoms in molecules in real space: a fertile field for chemical bonding

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 15, pp. 10231-10262

  2. Chapter 8 - Open quantum systems, electron distribution functions, fragment natural orbitals, and the quantum theory of atoms in molecules

    Advances in Quantum Chemical Topology Beyond QTAIM (Elsevier Science), pp. 193-223

  3. Electron Number Distribution Functions

    Comprehensive Computational Chemistry, First Edition: Volume 1-4 (Elsevier), pp. V2-28-V2-54

  4. New developments in the Interacting Quantum Atoms (IQA) approach

    Chemical Reactivity: Volume 1: Theories and Principles (Elsevier), pp. 83-112