Publikationen in Zusammenarbeit mit Forschern von Universitat de Girona (10)

2024

  1. Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effects

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 16, pp. 12619-12627

2019

  1. The Coulomb Hole of the Ne Atom

    ChemistryOpen, Vol. 8, Núm. 4, pp. 411-417

2018

  1. Electron-Pair Distribution in Chemical Bond Formation

    Journal of Physical Chemistry A, Vol. 122, Núm. 7, pp. 1916-1923

2016

  1. The electron-pair density distribution of the 1,3πu excited states of H2

    Canadian Journal of Chemistry, Vol. 94, Núm. 12, pp. 998-1001

2014

  1. New approximation to the third-order density. Application to the calculation of correlated multicenter indices

    Journal of Chemical Theory and Computation, Vol. 10, Núm. 8, pp. 3055-3065

2012

  1. Performance of PNOF5 natural orbital functional for radical formation reactions: Hydrogen atom abstraction and C-C and O-O homolytic bond cleavage in selected molecules

    Journal of Chemical Theory and Computation, Vol. 8, Núm. 8, pp. 2646-2652

2007

  1. New solids based on B12N12 fullerenes

    Journal of Physical Chemistry C, Vol. 111, Núm. 36, pp. 13354-13360

2000

  1. Charge-density concentration and electron-electron coalescence density in atoms and molecules

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 62, Núm. 3, pp. 034502-034501

  2. Charge-density concentration and electron-electron coalescence density in atoms and molecules

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 62, Núm. 3, pp. 4

1999

  1. The topological features of the intracule density of the uniform electron gas

    Chemical Physics Letters, Vol. 304, Núm. 5-6, pp. 393-398