Recherche
-
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 -
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 -
Interplay of electronic structure and bulk properties in 2D and 3D ternary carbonitrides from first principles
(Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie. vol. 630, n° 15, pp. 2587-2598, 2004)Article de revue -
Carbon-modified MgH2 : experimental and ab-initio investigations
(Zeitschrift fur Naturforschung B. vol. 69, n° 7, pp. 804-810, 2014)Article de revue -
Drastic changes of electronic structure and crystal chemistry upon oxidation of SnII2TiO4E2 into SnIV2TiO6: An ab initio study
(Solid State Sciences. vol. 59, pp. 1-7, 2016-06)Article de revue -
Investigation of changes in crystal and electronic structures by hydrogen within LaNi<sub>5</sub> from first-principles
(Solid State Sciences. vol. 11, n° 6, pp. 1098-1106, 2009)Article de revue