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

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

  2. Polyisocyanides of titanium

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

1993

  1. Theoretical study of a basic process in interstellar chlorine chemistry: Reaction of C+ with HCl

    Journal of Physical Chemistry, Vol. 97, Núm. 1, pp. 173-176

  2. Theoretical study of possible processes for the interstellar production of phosphorus compounds. Reaction of P+ with SH2

    Journal of Physical Chemistry, Vol. 97, Núm. 8, pp. 1521-1525

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

1991

  1. A theoretical study of the structures and stabilities of (H2PO)+ species and the proton affinities of HPO and POH

    Journal of Physical Chemistry, Vol. 95, Núm. 11, pp. 4318-4323

  2. Theoretical studies of possible processes for the interstellar production of phosphorus compounds. Reaction of P+ with water

    Journal of Physical Chemistry, Vol. 95, Núm. 14, pp. 5443-5445