Publicaciones en colaboración con investigadores/as de Universidad Complutense de Madrid (16)

2013

  1. A theoretical study on the formation of iodine oxide aggregates and monohydrates

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 37, pp. 15572-15583

  2. The structure and spectroscopy of cyanate and bicarbonate ions. Astrophysical implications

    Journal of Physical Chemistry A, Vol. 117, Núm. 39, pp. 9564-9573

2011

  1. Ab initio study of hydroxyl torsional barriers and molecular properties of mono-and di-iodotyrosine

    Journal of Physical Chemistry A, Vol. 115, Núm. 45, pp. 12616-12623

2010

  1. Clusters of atmospheric relevance: H2O/HCl/HNO3. Prediction of IR & MW spectra

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 18, pp. 4617-4624

2009

  1. Characterization of two types of intermolecular interactions on halogen monoxide monohydrates

    Journal of Computational Chemistry, Vol. 30, Núm. 15, pp. 2538-2549

  2. Theoretical study of atmospheric clusters: HNO 3-HCl-H 2O

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 42, pp. 9710-9719

2007

  1. An ab initio study on the structure and energetics of the ClO hydrates

    Chemical Physics Letters, Vol. 448, Núm. 1-3, pp. 16-23

2006

  1. Theoretical study of stratospheric relevant anions: Nitrate - Nitric acid complexes

    Journal of Physical Chemistry A, Vol. 110, Núm. 10, pp. 3750-3758

  2. Variation of atomic charges on proton transfer in strong hydrogen bonds: The case of anionic and neutral imidazole-acetate complexes

    Journal of Computational Chemistry, Vol. 27, Núm. 14, pp. 1650-1661

2005

  1. Variation of geometries and electron properties along proton transfer in strong hydrogen-bond complexes

    Journal of Chemical Physics, Vol. 122, Núm. 21

2003

  1. Redox interplay at copper oxide- (Ce,Zr)Ox interfaces: Influence of the presence of NO on the catalytic activity for CO oxidation over CuO/CeZrO4

    Journal of Catalysis, Vol. 214, Núm. 2, pp. 261-272

  2. Variation with the intermolecular distance of properties dependent on the electron density in cyclic dimers with two hydrogen bonds

    Journal of Chemical Physics, Vol. 118, Núm. 11, pp. 4878-4895

2001

  1. Approximate kinetic energy density for intermolecular regions in hydrogen bond dimers

    Chemical Physics Letters, Vol. 337, Núm. 4-6, pp. 263-268

  2. Intramolecular effects and relative stabilities of conformers of gaseous glycine

    Journal of Physical Chemistry A, Vol. 105, Núm. 21, pp. 5232-5241

  3. Variation with the intermolecular distance of properties dependent on the electron density in hydrogen bond dimers

    Journal of Chemical Physics, Vol. 115, Núm. 24, pp. 11166-11184

2000

  1. Structures and bonding in silane derivatives with one alkali atom

    Journal of Physical Chemistry A, Vol. 104, Núm. 32, pp. 7617-7624