Recherche
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Ab initio analysis of magnetovolume versus chemical effects in CeRuSi and its hydride
(Physical Review B: Condensed Matter and Materials Physics (1998-2015). vol. 75, n° 10, pp. 104422 (6 p.), 2007)Article de revue -
DFT calculations on the electronic structure of CuTe2 and Cu7Te4
(Solid State Sciences. vol. 6 (1), pp. 15-20, 2004)Article de revue -
Ab initio proposition of novel BCN3 hard material based on the intergrowth of wurtzite and pyrite-like motifs
(Computational Condensed Matter. vol. 7, pp. 14-19, 2016)Article de revue -
Molecular and all-solid DFT studies of the magnetic and chemical bonding properties within KM[Cr(CN)6] (M = V, Ni) complexes
(Chemical Physics. vol. 352, n° 1-3, pp. 85-91, 2008)Article de revue -
Structural geomimetism: A conceptual framework for devising new materials from first principles
(Progress in Solid State Chemistry. vol. 34, n° 1, pp. 21-66, 2006)Article de revue -
First principles investigations of the hydrogenation effects on the electronic structure and the chemical bonding of CeIrAl
(Solid State Sciences. vol. 13, n° 9, pp. 1704-1708, 2011)Article de revue -
YNi and its hydrides : phase stabilities, electronic structures and chemical bonding properties from first principles
(Chemical Physics. vol. 377, n° 1-3, pp. 109-114, 2010)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 -
Ab initio investigations of the perovskite and K2NiF4 phases in the CseCaeH system
(Solid State Sciences. vol. 13, n° 3, pp. 569-573, 2011)Article de revue -
Electronic structure and bonding of the hydrides Mg3TH7 (T = Mn, Re) from first principles
(Solid State Sciences. vol. 14, n° 5, pp. 639-643, 2012)Article de revue