Recherche
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Interplay of negative pressure and hydrogen chemical effects in CeRhSn from first principlies
(The European Physical Journal B: Condensed Matter and Complex Systems. vol. 65, pp. 491-495, 2008)Article de revue -
Structure and electronic properties of new model dinitride systems: A density-functional study of CN2, SiN2, and GeN2
(Chemical Physics Letters. vol. 373, n° 5-6, pp. 636-641, 2003)Article de revue -
Ab initio study of CrNF: the first half-metallic ferromagnet nitride fluoride mimicking CrO2
(2014-03-08)Document de travail - Pré-publication -
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 -
Electronic and structural dynamics during the switching of the photomagnetic complex [Fe(L222N5)(CN)2]
(Chemistry - A European Journal. vol. 24, n° 20, pp. 5064-5069, 2018-04-06)Article de revue -
Electronic and magnetic structures and bonding properties of Ce2CrN3 and U2CrN3 from first principles
(Computational Condensed Matter. vol. 9, pp. 13-18, 2016-06-13)Article de revue -
Carbon-induced ionocovalence in MgH2 storage material
(2012-12-13)Document de travail - Pré-publication -
Drastic changes in electronic, magnetic, mechanical and bonding properties from Zr2CoH5 to Mg2CoH5
(Journal of Solid State Chemistry. vol. 200, pp. 209-214, 2013)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 -
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