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Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 24, 2019
Natural orbital functional for spin-polarized periodic systems
Raul Quintero-Monsebaiz, Ion Mitxelena, Mauricio Rodríguez-Mayorga, 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 study
Xabier 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 theory
Xabier Lopez, Fernando Ruipérez, Mario Piris, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2017
Comprehensive benchmarking of density matrix functional approximations
Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Mireia Via-Nadal, et al.
Journal of the American Chemical Society
|
May 6, 2009
Sandwich complexes of the metalloaromatic eta(3)-Al3R3 ligand
Jose M Mercero, Mario Piris, Jon M Matxain, et al.
The Journal of Chemical Physics
|
February 18, 2026
DoNOF 2.0: A modern open-source electronic structure program for natural orbital functionals
Juan Felipe Huan Lew-Yee, Ion Mitxelena, Jorge M Del Campo, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 23, 2012
The nature of chemical bonds from PNOF5 calculations
Jon M Matxain, Mario Piris, Jon Uranga, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
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
Xabier Lopez, Fernando Ruipérez, Mario Piris, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 28, 2007
Endohedral stannaspherenes Mn@Sn12 and its dimer: ferromagnetic or antiferromagnetic?
Jon M Matxain, Mario Piris, Elena Formoso, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 1, 2008
Magnetic endohedral transition-metal-doped semiconducting-nanoclusters
Jon M Matxain, Elena Formoso, Jose M Mercero, et al.
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of 5
Search research articles
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Showing results (31-40 of 44) with videos related to
Sort By:
Page
of 5
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 24, 2019
Natural orbital functional for spin-polarized periodic systems
Raul Quintero-Monsebaiz, Ion Mitxelena, Mauricio Rodríguez-Mayorga, 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 study
Xabier 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 theory
Xabier Lopez, Fernando Ruipérez, Mario Piris, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2017
Comprehensive benchmarking of density matrix functional approximations
Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Mireia Via-Nadal, et al.
Journal of the American Chemical Society
|
May 6, 2009
Sandwich complexes of the metalloaromatic eta(3)-Al3R3 ligand
Jose M Mercero, Mario Piris, Jon M Matxain, et al.
The Journal of Chemical Physics
|
February 18, 2026
DoNOF 2.0: A modern open-source electronic structure program for natural orbital functionals
Juan Felipe Huan Lew-Yee, Ion Mitxelena, Jorge M Del Campo, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 23, 2012
The nature of chemical bonds from PNOF5 calculations
Jon M Matxain, Mario Piris, Jon Uranga, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
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
Xabier Lopez, Fernando Ruipérez, Mario Piris, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 28, 2007
Endohedral stannaspherenes Mn@Sn12 and its dimer: ferromagnetic or antiferromagnetic?
Jon M Matxain, Mario Piris, Elena Formoso, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 1, 2008
Magnetic endohedral transition-metal-doped semiconducting-nanoclusters
Jon M Matxain, Elena Formoso, Jose M Mercero, et al.
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of 5