Recherche
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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 -
Changes in electronic, magnetic and bonding properties from Zr2FeH5 to Zr3FeH7 addressed from ab initio
(Solid State Sciences. vol. 25, pp. 55-62, 2013)Article de revue -
"Covalent magnetism" and invar-like behavior within ternary nitrides : an ab initio study
(Zeitschrift fur Naturforschung B. vol. 62, n° 7, pp. 881-890, 2007)Article de revue -
Ab initio molecular and solid state studies of the FeII spin cross-over system [Fe(btz)2(NCS)2] (btz = 2,2'-bis-4,5-dihydrothiazine)
(Zeitschrift fur Naturforschung B. vol. 63, n° 2, pp. 154-160, 2008)Article de revue -
Ab initio molecular and solid state studies of the spin crossover system : [Fe(phen)2(NCS)2]
(Zeitschrift fur Naturforschung B. vol. 65, n° 5, pp. 565-570, 2010)Article de revue -
Chemical Bonding in Metallic Rutile-type Oxides TO2 (T = Ru, Rh, Pd, Pt)
(Zeitschrift fur Naturforschung C. vol. 62, n° 7, pp. 949–954, 2007)Article de revue -
First principles studies of SnTiO3 perovskite as a potential ferroelectric material.
(Chemical Physics. vol. 355, n° 1, pp. 43-49, 2009)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 -
Carbon-modified MgH2 : experimental and ab-initio investigations
(Zeitschrift fur Naturforschung B. vol. 69, n° 7, pp. 804-810, 2014)Article de revue -
Electronic and magnetic structures and bonding properties of Ce2T2X (T = nd element; X = Mg, Cd, Pb or Sn) intermetallics from first principles
(Intermetallics. vol. 51, pp. 18-23, 2014)Article de revue