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Browsing Artículos (Química Física) by Author "Cabrero, Jesús"
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Article
Analysis of the magnetic coupling in binuclear complexes. I. Physics of the coupling
Jiménez Calzado, Carmen; Cabrero, Jesús; Malrieu, J.P.; Caballol, Rosa (American Institute of Physics Publising LLC, 2002)Accurate estimates of the magnetic coupling in binuclear complexes can be obtained from ab initio configuration interaction ...
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Article
Analysis of the magnetic coupling in binuclear complexes. II. Derivation of valence effective Hamiltonians from ab initio Cl and DFT calculations
Jiménez Calzado, Carmen; Cabrero, Jesús; Malrieu, J.P.; Caballol, Rosa (American Institute of Physics Publising LLC, 2002)Most interpretations of the magnetic coupling J between two unpaired electrons rest upon simple valence models that involve ...