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

2024

  1. Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches

    The Journal of chemical physics, Vol. 160, Núm. 24

2018

  1. Current characterization methods for cellulose nanomaterials

    Chemical Society Reviews, Vol. 47, Núm. 8, pp. 2609-2679

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