LUIS CARLOS
BALBAS RUESGAS
Investigador en el periodo 1991-2016
Instituto de Ciencia de Materiales de Madrid
Madrid, EspañaPublicaciones en colaboración con investigadores/as de Instituto de Ciencia de Materiales de Madrid (7)
2013
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Adsorption of H, H2, and H2O inside and outside of (M@Si16F)6 tubelike aggregates and wires (M = V, Ta). A first principles study
Materials Chemistry and Physics, Vol. 139, Núm. 1, pp. 247-255
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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GGA versus van der Waals density functional results for mixed gold/mercury molecules and pure Au and Hg cluster properties
Physical Chemistry Chemical Physics, Vol. 13, Núm. 46, pp. 20863-20870
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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