Recherche
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Ab initio investigations of the electronic structure and chemical bonding of Li2ZrN2
(Journal of Solid State Chemistry. vol. 190, pp. 191-195, 2012)Article de revue -
The nitridoborate nitrides Mg3[BN2]N and Ca3[BN2]N – electronic structure and chemical bonding
(Zeitschrift fur Naturforschung B. vol. 72, n° 6, pp. 433-439, 2017)Article de revue -
Pressure induced metallization of fordite SnNb2O6 from first principles
(Computational Materials Science. vol. 84, pp. 355-359, 2014)Article de revue -
(CaO)nIrO2 (n = 1, 2, 4) family: Chemical scissors effects of CaO on structural characteristics correlated to physical properties. Ab initio study
(Journal of Solid State Chemistry. vol. 255, pp. 82-88, 2017)Article de revue -
Strong p-magnetism in carbon suboxide C2O devised from first principles
(Chemical Physics Letters. vol. 674, pp. 115-119, 2017)Article de revue -
Unusual onset of p-element magnetization in a two dimensional structure
(Solid State Sciences. vol. 60, pp. 55-58, 2016)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 -
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 -
First principles studies of hydrogen insertion effects on magnetic properties, bonding and structure reordering of UZr 2
(Computational Condensed Matter. vol. 12, pp. 19-24, 2017)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