Recherche
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Review on cerium intermetallic compounds: A bird's eye outlook through DFT
(Progress in Solid State Chemistry. vol. 41, n° 3, pp. 55-85, 2013)Article de revue -
Molecular Dynamics of Spin Crossover: the (P,T) phase diagram of [Fe(PM-BIA)2(NCS)2]
(Chemical Physics. vol. 420, pp. 25-34, 2013)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 -
Ab initio investigations of the electronic structures and chemical bonding in LiCo6P4 and Li2Co12P7
(Journal of Solid State Chemistry. vol. 202, pp. 227-233, 2013)Article de revue -
Light elements-induced iono-covalent character in MgH2: An ab-initio approach
(Computational Materials Science. vol. 69, pp. 424-427, 2013)Article de revue -
Electronic structure and bonding in YTi2Ga4 - A gallide with linear titanium chains and four-bonded gallium atoms
(Zeitschrift fur Naturforschung B. vol. 68, n° 1, pp. 23-28, 2013)Article de revue -
Hydrogen insertion effects on the electronic structure of equiatomic MgNi traced by ab initio calculations
(Zeitschrift fur Naturforschung B. vol. 68, n° 1, pp. 44-50, 2013)Article de revue -
Magnesium and cadmium in covalently-bonded lonsdaleite networks : synthesis, structure, and bonding of AETMg2 and SrTCd2 (AE = Ca, Sr ; T = Pd, Ag, Pt, Au)
(Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie. vol. 639, n° 5, pp. 707-713, 2013)Article de revue -
First principles study of the electronic and magnetic structures and bonding properties of UCoC2 ternary, characteristic of C-C units
(Solid State Sciences. vol. 17, pp. 128-133, 2013)Article de revue -
Drastic changes of electronic, magnetic, mechanical and bonding properties in Zr2Co by hydrogenation
(Intermetallics. vol. 36, pp. 25-30, 2013)Article de revue