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The Journal of Chemical Physics
|
January 15, 2009
Periodic density functional theory study of spin crossover in the cesium iron hexacyanochromate prussian blue analog
Jacek C Wojdeł, Ibério de P R Moreira, Francesc Illas
Journal of the American Chemical Society
|
January 7, 2009
Chemical bonding and electronic and magnetic structure in LaOFeAs
Jacek C Wojdeł, Ibério de P R Moreira, Francesc Illas
Journal of the American Chemical Society
|
April 6, 2016
Helical Folding-Induced Stabilization of Ferromagnetic Polyradicals Based on Triarylmethyl Radical Derivatives
Daniel Reta Mañeru, Ibério de P R Moreira, Francesc Illas
The Journal of Chemical Physics
|
May 10, 2013
A comparison model between density functional and wave function theories by means of the Löwdin partitioning technique
Marc Caballero, Ibério de P R Moreira, Josep Maria Bofill
Journal of Chemical Theory and Computation
|
December 3, 2015
Restricted Ensemble-Referenced Kohn-Sham versus Broken Symmetry Approaches in Density Functional Theory: Magnetic Coupling in Cu Binuclear Complexes
Ibério de P R Moreira, Ramon Costa, Michael Filatov, et al.
Inorganic Chemistry
|
November 15, 2014
Nature of holes, oxidation states, and hypervalency in covellite (CuS)
Sergio Conejeros, Ibério de P R Moreira, Pere Alemany, et al.
The Journal of Physical Chemistry. A
|
March 7, 2018
Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear Complexes
Ramon Costa, Daniel Reta, Ibério de P R Moreira, et al.
Journal of Computational Chemistry
|
March 18, 2009
Performance of plane-wave-based LDA+U and GGA+U approaches to describe magnetic coupling in molecular systems
Pablo Rivero, Christoph Loschen, Ibério De P R Moreira, et al.
The Journal of Organic Chemistry
|
September 20, 2024
Leap from Diradicals to Tetraradicals by Topological Control of π-Conjugation
Sergi Betkhoshvili, Jordi Poater, Ibério de P R Moreira, et al.
The Journal of Chemical Physics
|
December 3, 2008
Reliability of range-separated hybrid functionals for describing magnetic coupling in molecular systems
Pablo Rivero, Ibério de P R Moreira, Francesc Illas, et al.
Page
of 8
Search research articles
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Showing results (11-20 of 77) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
January 15, 2009
Periodic density functional theory study of spin crossover in the cesium iron hexacyanochromate prussian blue analog
Jacek C Wojdeł, Ibério de P R Moreira, Francesc Illas
Journal of the American Chemical Society
|
January 7, 2009
Chemical bonding and electronic and magnetic structure in LaOFeAs
Jacek C Wojdeł, Ibério de P R Moreira, Francesc Illas
Journal of the American Chemical Society
|
April 6, 2016
Helical Folding-Induced Stabilization of Ferromagnetic Polyradicals Based on Triarylmethyl Radical Derivatives
Daniel Reta Mañeru, Ibério de P R Moreira, Francesc Illas
The Journal of Chemical Physics
|
May 10, 2013
A comparison model between density functional and wave function theories by means of the Löwdin partitioning technique
Marc Caballero, Ibério de P R Moreira, Josep Maria Bofill
Journal of Chemical Theory and Computation
|
December 3, 2015
Restricted Ensemble-Referenced Kohn-Sham versus Broken Symmetry Approaches in Density Functional Theory: Magnetic Coupling in Cu Binuclear Complexes
Ibério de P R Moreira, Ramon Costa, Michael Filatov, et al.
Inorganic Chemistry
|
November 15, 2014
Nature of holes, oxidation states, and hypervalency in covellite (CuS)
Sergio Conejeros, Ibério de P R Moreira, Pere Alemany, et al.
The Journal of Physical Chemistry. A
|
March 7, 2018
Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear Complexes
Ramon Costa, Daniel Reta, Ibério de P R Moreira, et al.
Journal of Computational Chemistry
|
March 18, 2009
Performance of plane-wave-based LDA+U and GGA+U approaches to describe magnetic coupling in molecular systems
Pablo Rivero, Christoph Loschen, Ibério De P R Moreira, et al.
The Journal of Organic Chemistry
|
September 20, 2024
Leap from Diradicals to Tetraradicals by Topological Control of π-Conjugation
Sergi Betkhoshvili, Jordi Poater, Ibério de P R Moreira, et al.
The Journal of Chemical Physics
|
December 3, 2008
Reliability of range-separated hybrid functionals for describing magnetic coupling in molecular systems
Pablo Rivero, Ibério de P R Moreira, Francesc Illas, et al.
Page
of 8