Publicaciones en colaboración con investigadores/as de Universidad de Oviedo (41)

2024

  1. Structure and Spectroscopic Insights for CH3PCO Isomers: A High-Level Quantum Chemical Study

    Journal of Physical Chemistry A, Vol. 128, Núm. 20, pp. 4083-4091

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

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. Polyisocyanides of titanium

    Journal of Physical Chemistry A, Vol. 113, Núm. 8, pp. 1574-1577

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

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

2001

  1. 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

1998

  1. Theoretical study of possible interstellar processes for the production of C2Cl precursors

    Journal of Molecular Structure: THEOCHEM, Vol. 432, Núm. 1, pp. 75-88

1996

  1. Reaction of carbon atoms with H2Cl+: An ab initio study of a possible interstellar process

    Journal of Molecular Structure: THEOCHEM, Vol. 363, Núm. 3, pp. 319-331

  2. Theoretical studies of possible processes for the interstellar production of phosphorus compounds: The reaction of P+ with C3H2

    Journal of Physical Chemistry, Vol. 100, Núm. 35, pp. 14643-14650

  3. Theoretical studies of simple organoboron compounds: Structures and stabilities of BC2H4 isomers

    Applied Organometallic Chemistry, Vol. 10, Núm. 3-4, pp. 283-295

  4. Theoretical study of the C3P radical and its cation

    Journal of Physical Chemistry, Vol. 100, Núm. 2, pp. 585-593