Publicacións nas que colabora con Christian Van Alsenoy (9)

2015

  1. Theoretical study of the adsorption of aromatic units on carbon allotropes including explicit (empirical) DFT dispersion corrections and implicitly dispersion-corrected functionals: The pyridine case

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 1, pp. 575-587

2007

  1. Bonding study in all-metal clusters containing Al4 units

    Journal of Physical Chemistry A, Vol. 111, Núm. 46, pp. 11885-11893

  2. Insight into the intermolecular factors responsible for the Z,Z configuration of Ar-X-N=S=N-X-Ar (X = S, Se) derivatives in the solid state

    European Journal of Inorganic Chemistry, pp. 1958-1965

2006

  1. Hartree-fock energy partitioning in terms of hirshfeld atoms

    ChemPhysChem, Vol. 7, Núm. 6, pp. 1294-1305

2005

  1. Charge density analysis of some processes involving intramolecular hydrogen transfer

    Tetrahedron, Vol. 61, Núm. 4, pp. 819-829

  2. Does a stabilising interaction favouring the Z,Z configuration of -S-N=S=N-S- systems exist?

    Chemistry - A European Journal, Vol. 11, Núm. 15, pp. 4544-4551

  3. Joint QTAIM and Hirshfeld study of the σ and π charge distribution and electron delocalization in carbonyl compounds: A comparative study with the resonance model

    Journal of Physical Chemistry A, Vol. 109, Núm. 38, pp. 8624-8631

  4. Topological study of intramolecular hydrogen bonding in β-hydroxyethylperoxy radical and β-hydroxyethoxy radical along its dissociation pathway

    Physical Chemistry Chemical Physics, Vol. 7, Núm. 18, pp. 3290-3296

2004

  1. Comparison of the AIM and hirshfeld totals, σ, and π Charge distributions: A study of protonation and hydride addition processes

    Journal of Physical Chemistry A, Vol. 108, Núm. 34, pp. 7050-7055