Universitat de Girona-ko ikertzaileekin lankidetzan egindako argitalpenak (14)

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. Corrigendum: On the performance of natural orbital functional approximations in the Hubbard model (Journal of Physics Condensed Matter (2017) 29 (425602) DOI: 10.1088/1361-648X/aa80ca)

    Journal of Physics Condensed Matter

  2. Electron-Pair Distribution in Chemical Bond Formation

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

2017

  1. Comprehensive benchmarking of density matrix functional approximations

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 35, pp. 24029-24041

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

  2. New stringent conditions for the cumulant matrix

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  3. Two new constraints for the cumulant matrix

    Journal of Chemical Physics, Vol. 141, Núm. 23

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. 4

  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. 034502-034501

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