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LaMgX and CeMgX (X = Ga, In, Tl, Pd, Ag, Pt, Au) with ZrNiAl type structure – A systematic view on electronic structure and chemical bonding
(Solid State Sciences. vol. 43, pp. 28-34, 2015)Article de revue -
Ultrafast Light-Induced Spin-State Trapping Photophysics Investigated in Fe(phen) 2 (NCS) 2 Spin- Crossover Crystal
(Accounts of Chemical Research. vol. 48, n° 3, pp. 774-781, 2015-03-01)Article de revue -
Ab initio study of MgH2: Destabilizing effects of selective substitutions by transition metals
(Solid State Sciences. vol. 36, pp. 47-51, 2014)Article de revue -
Activation of coherent lattice phonon following ultrafast molecular spin-state photo-switching: a molecule-to-lattice energy transfer
(Structural Dynamics. vol. 3, n° 2, pp. 023605 (15 p.), 2016)Article de revue -
Rhodium-rich germanides RERh4Ge2 (RE = Y, Gd–Lu): structure and bonding
(Chemical Monthly = Monatshefte für Chemie. vol. 146, n° 9, pp. 1375-1383, 2015-09)Article de revue -
The family of LiCo6P4 type compounds - trends in electronic structure and chemical bonding
(Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie. vol. 640, n° 8-9, pp. 1641-1647, 2014)Article de revue -
Crystal and chemical anisotropy effects in AE2Zn2N2, (AE = Ca, Sr, Ba) from ab initio
(Solid State Sciences. vol. 39, pp. 10-14, 2015)Article de revue -
First principles account for large changes in electronic structure and bonding from LaCu to LaCuMg and LaCuMg4
(Computational Materials Science. vol. 97, pp. 231-236, 2015)Article de revue -
Chemical bonding in RFe6Ge4 (R = Li, Sc, Zr) and LuTi6Sn4 with rhombohedral LiFe6Ge4 type structure
(Solid State Sciences. vol. 39, pp. 82-91, 2015)Article de revue -
In silico CrNF, a half-metallic ferromagnetic nitride-fluoride mimicking CrO2
(Journal of Magnetism and Magnetic Materials. vol. 368, pp. 105-110, 2014)Article de revue