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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 -
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(Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie. vol. 635, n° 12, pp. 1894-1903, 2009)Article de revue -
X-ray/neutron diffraction studies and ab initio electronic structure of CeMgNi<sub>4</sub> and its hydride
(Solid State Sciences. vol. 11, n° 11, pp. 1971-1978, 2009)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 -
Electronic structure and chemical bonding properties of UO<sub>2</sub>F<sub>2</sub> from first principles
(Solid State Sciences. vol. 11, n° 8, pp. 1380-1385, 2009)Article de revue -
7Li and 29Si solid state NMR and chemical bonding of La2Li2Si3
(Solid State Sciences. vol. 14, n° 3, pp. 367-374, 2012)Article de revue -
The predominance of the rutile phase of SnO2: first principles study
(Solid State Communications. vol. 152, n° 5, pp. 349-353, 2012)Article de revue -
AMoO<sub>4</sub> (A = Mg, Ni) molybdates: Phase stabilities, electronic structures and chemical bonding properties from first principles
(Solid State Sciences. vol. 12, n° 10, pp. 1779-1785, 2010)Article de revue