Ibério de P. R. Moreira

Remarks on the Proper Use of the Broken Symmetry Approach to Magnetic Coupling

Rosa Caballol, O. Castell, Francesc Illas et al. · The Journal of Physical Chemistry A · 1997 · 438 citations

Dft Methods, Engineering, Spin Systems +19

Effect of Fock exchange on the electronic structure and magnetic coupling in NiO

Ibério de P. R. Moreira, Francesc Illas, Richard L. Martin · Physical review. B, Condensed matter · 2002 · 398 citations · Full text

Magnetic Properties, Fock Exchange, Engineering +19

Magnetic coupling in biradicals, binuclear complexes and wide-gap insulators: a survey of ab initio wave function and density functional theory approaches

Francesc Illas, Ibério de P. R. Moreira, Coen de Graaf et al. · Theoretical Chemistry Accounts · 2000 · 284 citations

Magnetism, Engineering, Physics +11

Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules

Rosendo Valero, R. Costa, Ibério de P. R. Moreira et al. · The Journal of Chemical Physics · 2008 · 266 citations

Exchange-correlation Functionals, Engineering, Magnetic Resonance +16

A unified view of the theoretical description of magnetic coupling in molecular chemistry and solid state physics

Ibério de P. R. Moreira, Francesc Illas · Physical Chemistry Chemical Physics · 2006 · 215 citations

Engineering, Magnetic Resonance, Computational Chemistry +24