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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.
The Journal of Chemical Physics|October 15, 2018
Probing the structures and bonding of auropolyynes, Au-(C≡C) -Au- (n = 1-3), using high-resolution photoelectron imagingIker León, Fernando Ruipérez, Jesus M Ugalde, 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|August 15, 2019
Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical AnalysisSławomir J Grabowski, David Casanova, Elena Formoso, et al.
Chemical Communications (Cambridge, England)|June 30, 2012
Unexpected trends in halogen-bond based noncovalent adductsStefan M Huber, Elisa Jimenez-Izal, Jesus M Ugalde, et al.
The Journal of Chemical Physics|August 28, 2007
Electron correlation in the GK state of the hydrogen moleculeJian Wang, Yu Wang, Shengliang Ni, et al.
Physical Chemistry Chemical Physics : PCCP|June 12, 2012
Self-assembling endohedrally doped CdS nanoclusters: new porous solid phases of CdSElisa Jimenez-Izal, Jon M Matxain, Mario Piris, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 7, 2016
Comparison of Hydrogen and Gold Bonding in [XHX](-) , [XAuX](-) , and Isoelectronic [NgHNg](+) , [NgAuNg](+) (X=Halogen, Ng=Noble Gas)Sławomir J Grabowski, Jesus M Ugalde, Diego M Andrada, 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 Chemical Theory and Computation|November 21, 2015
New Approximation to the Third-Order Density. Application to the Calculation of Correlated Multicenter IndicesFerran Feixas, Miquel Solà, Juan M Barroso, et al.
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