Publicaciones en las que colabora con ELIXABETE REZABAL ASTIGARRAGA (8)

2022

  1. Experiment and Theory Clarify: Sc+ Receives One Oxygen Atom from SO2 to Form ScO+, which Proves to be a Catalyst for the Hidden Oxygen-Exchange with SO2

    ChemPhysChem, Vol. 23, Núm. 5

2014

  1. Aluminium in biological environments: A computational approach

    Computational and Structural Biotechnology Journal

2007

  1. 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

  2. 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

  3. Complexation of AlIII by aromatic amino acids in the gas phase

    Inorganic Chemistry, Vol. 46, Núm. 16, pp. 6413-6419

  4. Protein side chains facilitate Mg/Al exchange in model protein binding sites

    ChemPhysChem, Vol. 8, Núm. 14, pp. 2119-2124

2006

  1. 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

  1. The first solvation shell of aluminum (III) and magnesium (II) cations in a protein model environment

    International Journal of Quantum Chemistry