Química Avanzada (UBU)
Programa de Doctorado
Instituto de Ciencia de Materiales de Madrid
Madrid, EspañaPublications en collaboration avec des chercheurs de Instituto de Ciencia de Materiales de Madrid (9)
2014
2013
-
Polymorphism and magnetic properties in thiosemicarbazonecopper(II)-sulfate compounds
Polyhedron, Vol. 54, pp. 243-251
2011
-
First principles study of CO adsorption-CO2 desorption mechanisms on oxidized doped-gold cationic clusters MAun O m+ (M = Ti, Fe; N = 1,4-7; M = 1-2)
International Journal of Quantum Chemistry, Vol. 111, Núm. 2, pp. 510-519
-
Study of the structural and electronic properties of [Ti@Si 16]n, [Sc@Si16K] n, and [V@Si 16F] n (n ≤ 9) aggregates from first principles
Journal of Physical Chemistry C, Vol. 115, Núm. 2, pp. 335-350
-
Theoretical study of the structural and electronic properties of aggregates, wires, and bulk phases formed from M@Si16 superatoms (M = Sc-, Ti, V+)
International Journal of Quantum Chemistry, Vol. 111, Núm. 2, pp. 444-462
2010
-
Polyoxometallate-thiosemicarbazone hybrid compounds
European Journal of Inorganic Chemistry, pp. 4513-4525
-
Trends in the formation of aggregates and crystals from M@Si16 clusters: A study from first principle calculations
Journal of Mathematical Chemistry, Vol. 48, Núm. 1, pp. 109-117
2009
-
(1,3,4-Oxadiazole)copper(II) compounds: Dimensionality, magnetism and nuclease activity
European Journal of Inorganic Chemistry, pp. 373-388
-
Theoretical study of the coadsorption of CO and O2 on doped cationic gold clusters MAun + (M = Ti, Fe, Au; N = 1, 6, 7)
European Physical Journal D