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The Journal of Physical Chemistry Letters|November 28, 2024
Time-Resolved Chemical Bonding Structure Evolution by Direct-Dynamics Chemical SimulationsMario Piris, Xabier Lopez, Jesus M UgaldeChemistry (Weinheim an Der Bergstrasse, Germany)|January 30, 2016
The Bond Order of C2 from a Strictly N-Representable Natural Orbital Energy Functional PerspectiveMario Piris, Xabier Lopez, Jesus M UgaldeThe Journal of Chemical Physics|June 10, 2008
Electron-pair density relaxation holesMario Piris, Xabier Lopez, Jesus M UgaldeThe Journal of Physical Chemistry. A|June 13, 2015
Performance of PNOF6 for Hydrogen Abstraction ReactionsXabier Lopez, Mario Piris, Fernando Ruipérez, et al.The Journal of Chemical Physics|May 16, 2012
The extended Koopmans' theorem: vertical ionization potentials from natural orbital functional theoryMario Piris, Jon M Matxain, Xabier Lopez, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|April 2, 2009
Thermally stable solids based on endohedrally doped ZnS clustersJon M Matxain, Mario Piris, Xabier Lopez, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 1, 2011
Natural orbital functional theory and reactivity studies of diradical rearrangements: ethylene torsion as a case studyXabier Lopez, Mario Piris, Jon M Matxain, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 8, 2011
Diradicals and diradicaloids in natural orbital functional theoryXabier Lopez, Fernando Ruipérez, Mario Piris, et al.Journal of the American Chemical Society|May 6, 2009
Sandwich complexes of the metalloaromatic eta(3)-Al3R3 ligandJose M Mercero, Mario Piris, Jon M Matxain, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 23, 2012
The nature of chemical bonds from PNOF5 calculationsJon M Matxain, Mario Piris, Jon Uranga, et al.Pageof 18