ELIXABETE
REZABAL ASTIGARRAGA
PROFESORADO TITULAR DE UNIVERSIDAD
JESUS
UGALDE URIBE-ETXEBARRIA
PROFESORADO CATEDRATICO/A DE UNIVERSIDAD
Publicaciones en las que colabora con JESUS UGALDE URIBE-ETXEBARRIA (16)
2022
2017
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The trans Effect in Palladium Phosphine Sulfonate Complexes
Journal of Physical Chemistry A, Vol. 121, Núm. 40, pp. 7709-7716
2015
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Homopolymerization of ethylene by palladium phosphine sulfonate catalysts: The role of structural and environmental factors
Organometallics, Vol. 34, Núm. 1, pp. 373-380
2014
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Aluminium in biological environments: A computational approach
Computational and Structural Biotechnology Journal
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Mapping the affinity of aluminum(iii) for biophosphates: Interaction mode and binding affinity in 1: 1 complexes
Physical Chemistry Chemical Physics, Vol. 16, Núm. 37, pp. 20107-20119
2013
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Quantum chemical study of the catalytic activation of methane by copper oxide and copper hydroxide cations
Physical Chemistry Chemical Physics, Vol. 15, Núm. 4, pp. 1148-1153
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
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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Erratum: Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer (J. Chem. Phys. (2008) 128 (194315)
Journal of Chemical Physics
2008
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Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer
Journal of Chemical Physics, Vol. 128, Núm. 19
2007
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A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities
Journal of Inorganic Biochemistry, Vol. 101, Núm. 9 SPEC. ISS., pp. 1192-1200
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Assessment of approximate density functional methods for the study of the interactions of AI(III) with aromatic amino acids
Journal of Chemical Theory and Computation, Vol. 3, Núm. 5, pp. 1830-1836
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Complexation of AlIII by aromatic amino acids in the gas phase
Inorganic Chemistry, Vol. 46, Núm. 16, pp. 6413-6419
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Protein side chains facilitate Mg/Al exchange in model protein binding sites
ChemPhysChem, Vol. 8, Núm. 14, pp. 2119-2124
2006
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A study of the coordination shell of aluminum(III) and magnesium(II) in model protein environments: Thermodynamics of the complex formation and metal exchange reactions
Journal of Inorganic Biochemistry, Vol. 100, Núm. 3, pp. 374-384
2004
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The first solvation shell of aluminum (III) and magnesium (II) cations in a protein model environment
International Journal of Quantum Chemistry