Recherche
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Comparative electronic band structure study of the intrachain ferromagnetic versus antiferromagnetic coupling in the magnetic oxides Ca3Co2O6 and Ca3FeRhO6
(Inorganic Chemistry. vol. vol. 44, n° 18, pp. p. 6339-6345, 2005)Article de revue -
Spin dimer and electronic band structure analyses of the ferromagnetism versus antiferromagnetism in SeCuO3 and TeCuO3
(Chemistry of Materials. vol. vol. 17, n° 17, pp. p. 4350-4355, 2005)Article de revue -
Large negative magnetoresistance of the rare-earth transition-metal intermetallic compound PrMnSi2
(Chemistry of Materials. vol. 17 (25), pp. 6338-6341, 2005)Article de revue -
Application of density functional theory to the modeling of the mixed ionic and electronic conductor La2NiO4+d: lattice relaxation, oxygen mobility, and energetics of Frenkel defects
(Chemistry of Materials. vol. 17 (26), pp. 6538-6544, 2005)Article de revue -
Synthesis, crystal structure, magnetic properties, and electronic structure of the new ternary vanadate CuMnVO4
(Inorganic Chemistry. vol. vol. 44, n° 9, pp. p. 3087-3093, 2005)Article de revue -
Density functional theory calculations on microscopic aspects of oxygen diffusion in ceria-based materials.
(International Journal of Quantum Chemistry. vol. vol. 101, n° 6, pp. p. 826-839, 2005)Article de revue -
Unpaired spin populations and spin-pairing tendencies of the nonequivalent vanadium sites of the magnetic metal NaV6O11 investigated by electronic band structure calculations and spin dimer analysis
(Chemistry of Materials. vol. 17 (17), pp. 4344-4349, 2005)Article de revue -
Observation of unusual hysteretic magnetic properties of the rare earth intermetallic compound PrMnSi2: magnetic susceptibility, magnetization, heat capacity, and electronic band structure studies.
(Chemistry of Materials. vol. 17 (14), pp. 3711-3716, 2005)Article de revue -
Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi22- anion in (K-crypt)2Bi2 on the basis of relativistic electronic structure calculations
(Journal of Physical Chemistry A. vol. vol. 109, n° 8, pp. p. 1675-1683, 2005)Article de revue -
Synthesis and characterization of [PtIn6](GeO4)2O and its solid solution [PtIn6](GaO4)2-x(GeO4)xOx/2 (0 < x < 2): gradual color change of the solid solution from black (x = 0) to yellow (x = 2) as a consequence of quantum dot effect
(Journal of the American Chemical Society. vol. vol. 127, n° 37, pp. p. 12990-12996, 2005)Article de revue