Publicaciones en colaboración con investigadores/as de Centre National de la Recherche Scientifique (37)

2020

  1. Borates or phosphates? That is the question

    Acta Crystallographica Section A: Foundations and Advances, Vol. 76, pp. 197-205

2019

  1. A chemical theory of topological insulators

    Chemical Communications, Vol. 55, Núm. 82, pp. 12281-12287

  2. A first step towards quantum energy potentials of electron pairs

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 8, pp. 4215-4223

  3. Nine questions on energy decomposition analysis

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

2017

  1. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Journal of Physics Condensed Matter, Vol. 29, Núm. 46

  2. Microscopic analysis of AgCl polymorphism

    Theoretical Chemistry Accounts, Vol. 136, Núm. 6

2015

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

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

  2. From ELF to compressibility in solids

    International Journal of Molecular Sciences, Vol. 16, Núm. 4, pp. 8151-8167

2013

  1. Taste for chiral guests: Investigating the stereoselective binding of peptides to β-cyclodextrins

    Journal of Physical Chemistry B, Vol. 117, Núm. 11, pp. 3091-3097

2012

  1. Ionic interactions: Comparative topological approach

    Computational and Theoretical Chemistry, Vol. 998, pp. 193-201