Publicaciones en colaboración con investigadoras/es de McMaster University (6)

2019

  1. Nine questions on energy decomposition analysis

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

2016

  1. Recent developments in the ABINIT software package

    Computer Physics Communications, Vol. 205, pp. 106-131

2010

  1. On the applicability of local softness and hardness

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 5, pp. 1072-1080

2008

  1. Do the local softness and hardness indicate the softest and hardest regions of a molecule?

    Chemistry - A European Journal, Vol. 14, Núm. 28, pp. 8652-8660

  2. Initial hardness response and hardness profiles in the study of Woodward-Hoffmann rules for electrocyclizations

    Journal of Chemical Theory and Computation, Vol. 4, Núm. 4, pp. 595-602

2005

  1. Inelastic neutron scattering for investigating the dynamics of confined glass-forming liquids

    Journal of Non-Crystalline Solids