M. BEGOÑA
TORRES CABRERA
Profesor Titular de Universidad
Instituto de Ciencia de Materiales de Madrid
Madrid, EspañaPublications en collaboration avec des chercheurs de Instituto de Ciencia de Materiales de Madrid (5)
2011
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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
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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
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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
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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