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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 -
Ab initio investigation of the nitrofluoride SiNF
(Physical Review B: Condensed Matter and Materials Physics (1998-2015). vol. 72, n° 20, pp. 205108, 2005)Article de revue -
Pressure dependence of magnetic properties of CrO2 from theory
(Chemical Physics Letters. vol. 407, n° 4-6, pp. 516-521, 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 -
Electronic structure of the antiferromagnetic semiconductor MnSb2S4.
(Physical Review B: Condensed Matter and Materials Physics (1998-2015). vol. vol. 71, n° 23, pp. p. 235207 (9 p.), 2005)Article de revue -
First principles study of the stability of SiNF
(Computational Materials Science. vol. 34, n° 1, pp. 22-34, 2005)Article de revue -
Ab initio investigation of the magnetic states of Ca2MnO4 and Ca2MnO3
(Chemical Physics. vol. vol. 310, n° 1-3, pp. p. 231-238, 2005)Article de revue -
Etude ab initio de l'effet d'insertion de l'hydrogène sur les propriétés magnétiques et chimiques dans les phases de laves : cas de ZrFe2
(Lebanese Science Journal. vol. 6 (2), pp. 107-117, 2005)Article de revue