Publicaciones en colaboración con investigadores/as de Pierre and Marie Curie University (16)

2022

  1. Chemical Information

    Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory: Volume 1 (wiley), pp. 349-374

  2. New venues in electron density analysis

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 36, pp. 21538-21548

2021

  1. Energetics of Electron Pairs in Electrophilic Aromatic Substitutions

    Molecules (Basel, Switzerland), Vol. 26, Núm. 2

  2. Understanding topological insulators in real space

    Molecules, Vol. 26, Núm. 10

2020

  1. Real-Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multibond Chemical Reactions

    Journal of Physical Chemistry A, Vol. 124, Núm. 10, pp. 1959-1972

2019

  1. A bonding evolution theory study on the catalytic Noyori hydrogenation reaction

    Molecular Physics, Vol. 117, Núm. 9-12, pp. 1315-1324

  2. Nine questions on energy decomposition analysis

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

  3. Valence-Shell Electron-Pair Repulsion Theory Revisited: An Explanation for Core Polarization

    Chemistry - A European Journal, Vol. 25, Núm. 46, pp. 10938-10945

2018

  1. Building Fluorinated Hybrid Crystals: Understanding the Role of Noncovalent Interactions

    Crystal Growth and Design, Vol. 18, Núm. 11, pp. 6901-6910

2015

  1. A view of covalent and ionic bonding from Maximum Probability Domains

    Computational and Theoretical Chemistry, Vol. 1053, pp. 142-149

  2. Preface to the Special Issue on "Understanding structure and reactivity from topology and beyond"

    Computational and Theoretical Chemistry

  3. Six questions on topology in theoretical chemistry

    Computational and Theoretical Chemistry, Vol. 1053, pp. 2-16

2009

  1. Bases for understanding polymerization under pressure: The practical case of CO2

    Journal of Physical Chemistry B, Vol. 113, Núm. 4, pp. 1068-1073

  2. Computation of local and global properties of the electron localization function topology in crystals

    Journal of Chemical Theory and Computation, Vol. 5, Núm. 1, pp. 164-173

2008

  1. Useful applications of the electron localization function in high-pressure crystal chemistry

    Journal of Physics and Chemistry of Solids, Vol. 69, Núm. 9, pp. 2204-2207

2002

  1. Rigorous characterization of oxygen vacancies in ionic oxides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 7, pp. 751031-751036