Publicaciones en las que colabora con José Ángel Sordo Gonzalo (23)

2014

  1. Halogen-abstraction reactions from chloromethane and bromomethane molecules by alkaline-earth monocations

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 30, pp. 16121-16136

2013

  1. Kinetics studies of the reactions of main fourth-period monocations (Ga+, Ge+, As+, and Se+) with methyl fluoride

    Journal of Physical Chemistry A, Vol. 117, Núm. 33, pp. 7742-7753

  2. Reactivity of first-row transition metal monocations (Sc+, Ti+, V+, Zn+) with methyl fluoride: A computational study

    Journal of Physical Chemistry A, Vol. 117, Núm. 14, pp. 2932-2943

2011

  1. Theoretical study of the C-F bond activation in methyl fluoride by alkaline-earth metal monocations

    Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 609-618

2009

  1. Gas-phase reaction between calcium monocation and fluoromethane: Analysis of the potential energy hypersurface and kinetics calculations

    Journal of Chemical Physics, Vol. 131, Núm. 14

2006

  1. A computational study on the reaction of N(2D) atoms with CH2Cl radicals

    Chemical Physics Letters, Vol. 422, Núm. 1-3, pp. 276-281

  2. On the reaction of ground-state nitrogen atoms with bromomethyl radicals: A computational study

    International Journal of Mass Spectrometry, Vol. 249-250, pp. 451-461

  3. Reaction of N(2D) atoms with bromomethyl radicals: A theoretical study

    Chemical Physics, Vol. 328, Núm. 1-3, pp. 45-52

2005

  1. A computational study of the reaction of ground-state nitrogen atoms with chloromethyl radicals

    Journal of Physical Chemistry A, Vol. 109, Núm. 29, pp. 6540-6548

  2. Computational study of the reaction of N ( 2D) atoms with C H 2 F radicals: An example of a barrier-free reaction involving very high internal energies

    Journal of Chemical Physics, Vol. 123, Núm. 11

  3. Pseudorotation motion in tetrahydrofuran: An ab initio study

    Journal of Chemical Physics, Vol. 122, Núm. 20

2003

  1. Computational study on the kinetics of the reaction of N(4S) with CH2F

    Chemical Physics Letters, Vol. 374, Núm. 5-6, pp. 594-600

2002

  1. Ab initio and experimental studies on the hetero-Diels-Alder and cheletropic additions of sulfur dioxide to (E)-1-methoxybutadiene: A mechanism involving three molecules of SO2

    Journal of Organic Chemistry, Vol. 67, Núm. 6, pp. 1882-1889

2001

  1. High-level ab initio predictions of CO2···N2O structure

    International Journal of Quantum Chemistry

  2. The reaction of N(4S) with CH2F: A comparative ab initio and DFT study

    Journal of Physical Chemistry A, Vol. 105, Núm. 43, pp. 9917-9925

2000

  1. The tetrahydropyranHCl dimer: A theoretical study

    Chemical Physics Letters, Vol. 320, Núm. 5-6, pp. 507-512

1999

  1. Cyclopropane⋯sulfur dioxide and ethylene⋯sulfur dioxide van der Waals complexes: A theoretical study

    Journal of Chemical Physics, Vol. 110, Núm. 1, pp. 377-384

  2. On the violation of Legon-Millen's rules for predicting angular geometries of hydrogen-bonded dimers: An ab initio study

    Chemical Physics Letters, Vol. 309, Núm. 3-4, pp. 265-273

  3. The tetrahydrofuran⋯hydrogen chloride complex: Rotational spectrum and theoretical analysis

    Journal of Chemical Physics, Vol. 111, Núm. 14, pp. 6363-6374

1998

  1. On the nature of the interaction in donor-acceptor van der Waals complexes: BH3⋯CO, BF3⋯CO, BH3⋯NH3 and BF3⋯NH3

    Journal of Molecular Structure: THEOCHEM, Vol. 426, Núm. 1-3, pp. 171-179