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Chemical Science|October 4, 2017
Elucidating the 3D structures of Al(iii)-Aβ complexes: a template free strategy based on the pre-organization hypothesisJon I Mujika, Jaime Rodríguez-Guerra Pedregal, Xabier Lopez, et al.Physical Review Letters|December 22, 2021
Global Natural Orbital Functional: Towards the Complete Description of the Electron CorrelationMario PirisThe Journal of Physical Chemistry. A|June 11, 2010
Bond paths show preferable interactions: ab initio and QTAIM studies on the X-H...pi hydrogen bondSławomir J Grabowski, Jesus M UgaldeJournal of the American Chemical Society|March 18, 2004
Sandwich-like complexes based on "all-metal" (Al 4 2-) aromatic compoundsJose M Mercero, Jesus M UgaldeThe Journal of Physical Chemistry. A|June 11, 2021
Electronic Structure and Electron Delocalization in Bare and Dressed Boron Pentamer ClustersJose M Mercero, Jesus M UgaldeThe Journal of Chemical Physics|August 6, 2020
Analytic gradients for spin multiplets in natural orbital functional theoryIon Mitxelena, Mario PirisThe Journal of Chemical Physics|February 17, 2020
An efficient method for strongly correlated electrons in two-dimensionsIon Mitxelena, Mario PirisThe Journal of Chemical Physics|June 3, 2016
Molecular electric moments calculated by using natural orbital functional theoryIon Mitxelena, Mario PirisPageof 18