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The Journal of Chemical Physics
|
February 6, 2008
On the prediction of the crystal and electronic structure of mixed-valence materials by periodic density functional calculations: the case of Prussian Blue
Jacek C Wojdeł, Ibério de P R Moreira, Stefan T Bromley, et al.
Physical Review Letters
|
October 10, 2006
First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors
Ibério de P R Moreira, Carmen J Calzado, Jean-Paul Malrieu, et al.
The Journal of Organic Chemistry
|
June 20, 2023
Controlling the Diradical Character of Thiele Like Compounds
Josep M Anglada, Jordi Poater, Ibério de P R Moreira, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 13, 2022
Electronic structure and magnetic coupling in selenium substituted pyridine-bridged bisdithiazolyl multifunctional molecular materials
Cristina Roncero-Barrero, Jordi Ribas-Ariño, Mercè Deumal, et al.
The Journal of Chemical Physics
|
December 13, 2022
How graphenic are graphynes? Evidence for low-lying correlated gapped states in graphynes
Genís Lleopart, Miquel Lopez-Suarez, Ibério de P R Moreira, et al.
Chemical Society Reviews
|
August 20, 2009
Approaching nanoscale oxides: models and theoretical methods
Stefan T Bromley, Ibério de P R Moreira, Konstantin M Neyman, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 15, 2022
Magnetic coupling and spin ordering in bisdithiazolyl, thiaselenazolyl, and bisdiselenazolyl molecular materials
C Roncero-Barrero, J Ribas-Ariño, I de P R Moreira, et al.
Journal of the American Chemical Society
|
March 6, 2023
Emergent Spin Frustration in Neutral Mixed-Valence 2D Conjugated Polymers: A Potential Quantum Materials Platform
Isaac Alcón, Jordi Ribas-Ariño, Ibério de P R Moreira, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Spin Adapted versus Broken Symmetry Approaches in the Description of Magnetic Coupling in Heterodinuclear Complexes
Ramon Costa, Rosendo Valero, Daniel Reta Mañeru, et al.
The Journal of Chemical Physics
|
March 26, 2008
Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules
Rosendo Valero, Ramon Costa, Ibério de P R Moreira, et al.
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Search research articles
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Showing results (31-40 of 77) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
February 6, 2008
On the prediction of the crystal and electronic structure of mixed-valence materials by periodic density functional calculations: the case of Prussian Blue
Jacek C Wojdeł, Ibério de P R Moreira, Stefan T Bromley, et al.
Physical Review Letters
|
October 10, 2006
First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors
Ibério de P R Moreira, Carmen J Calzado, Jean-Paul Malrieu, et al.
The Journal of Organic Chemistry
|
June 20, 2023
Controlling the Diradical Character of Thiele Like Compounds
Josep M Anglada, Jordi Poater, Ibério de P R Moreira, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 13, 2022
Electronic structure and magnetic coupling in selenium substituted pyridine-bridged bisdithiazolyl multifunctional molecular materials
Cristina Roncero-Barrero, Jordi Ribas-Ariño, Mercè Deumal, et al.
The Journal of Chemical Physics
|
December 13, 2022
How graphenic are graphynes? Evidence for low-lying correlated gapped states in graphynes
Genís Lleopart, Miquel Lopez-Suarez, Ibério de P R Moreira, et al.
Chemical Society Reviews
|
August 20, 2009
Approaching nanoscale oxides: models and theoretical methods
Stefan T Bromley, Ibério de P R Moreira, Konstantin M Neyman, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 15, 2022
Magnetic coupling and spin ordering in bisdithiazolyl, thiaselenazolyl, and bisdiselenazolyl molecular materials
C Roncero-Barrero, J Ribas-Ariño, I de P R Moreira, et al.
Journal of the American Chemical Society
|
March 6, 2023
Emergent Spin Frustration in Neutral Mixed-Valence 2D Conjugated Polymers: A Potential Quantum Materials Platform
Isaac Alcón, Jordi Ribas-Ariño, Ibério de P R Moreira, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Spin Adapted versus Broken Symmetry Approaches in the Description of Magnetic Coupling in Heterodinuclear Complexes
Ramon Costa, Rosendo Valero, Daniel Reta Mañeru, et al.
The Journal of Chemical Physics
|
March 26, 2008
Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules
Rosendo Valero, Ramon Costa, Ibério de P R Moreira, et al.
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of 8