Publicaciones en colaboración con investigadores/as de Universidad de Oviedo (12)

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. 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

  2. Polyisocyanides of titanium

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

1992

  1. Proton affinities of SNH and HSN. An ab initio study of the structures and stabilities of (H2NS)+

    Journal of Molecular Structure: THEOCHEM, Vol. 253, Núm. C, pp. 261-273