Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
Goethe University Frankfurt
Francfort, AlemaniaPublicaciones en colaboración con investigadores/as de Goethe University Frankfurt (5)
2011
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A QM/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH
Journal of Inorganic Biochemistry, Vol. 105, Núm. 11, pp. 1446-1456
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Quantum chemical assessment of the binding energy of CuO+
Journal of Chemical Physics, Vol. 134, Núm. 6
2010
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Ab initio study of microsolvated Al3+-aromatic amino acid complexes
Journal of Physical Chemistry B, Vol. 114, Núm. 27, pp. 9017-9022
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Ligand effects on the [Cu(PhO)(PhOH)]+ redox active complex
Inorganic Chemistry, Vol. 49, Núm. 18, pp. 8421-8429
2005
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A joint experimental and theoretical study of cation-π interactions: Multiple-decker sandwich complexes of ferrocene with alkali metal ions (Li +, Na+, K+, Rb+, Cs+)
Journal of the American Chemical Society, Vol. 127, Núm. 30, pp. 10656-10666