Publicacións en colaboración con investigadores/as de Universidade de Vigo (20)

2013

  1. A computational study of the protonation of simple amines in water clusters

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 41, pp. 18204-18216

2010

  1. Enhancing the interactions between neutral molecular tweezers and anions

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 1, pp. 164-169

2008

  1. Molecular tweezers as receptors for anions: An energetic and topological study

    Journal of Molecular Structure: THEOCHEM, Vol. 854, Núm. 1-3, pp. 1-9

2007

  1. Hydrogen transfer vs proton transfer in 7-hydroxy-quinoline·(NH 3)3: A CASSCF/ CASPT2 study

    Journal of Physical Chemistry A

  2. Implantación del EEES en la licenciatura en química de la UVIGO

    Experiencias de implantación de metodologías ECTS en cursos piloto completos: II Jornadas Nacionales de Metodologías ECTS. Badajoz, 19, 20 y 21 de septiembre de 2007 (Servicio de Publicaciones)

  3. Structural study of methane hydrate

    Structural Chemistry, Vol. 18, Núm. 5, pp. 649-652

  4. Towards the design of neutral molecular tweezers for anion recognition

    Chemistry - A European Journal, Vol. 13, Núm. 17, pp. 4743-4749

2005

  1. Chemical behavior of the biradicaloid (HO⋯ONO) singlet states of peroxynitrous acid. The oxidation of hydrocarbons, sulfides, and selenides

    Journal of the American Chemical Society, Vol. 127, Núm. 9, pp. 3140-3155

  2. On the conformational memory in the photodissociation of formic acid

    Journal of Physical Chemistry A, Vol. 109, Núm. 12, pp. 2836-2839

  3. Photodissociation of formic acid: A trajectory surface hopping study

    Chemical Physics Letters, Vol. 412, Núm. 1-3, pp. 35-40

2003

  1. Theoretical Analysis of Peroxynitrous Acid: Characterization of Its Elusive Biradicaloid (HO⋯ONO) Singlet States

    Journal of the American Chemical Society, Vol. 125, Núm. 52, pp. 16204-16205

2001

  1. A theoretical study of the S + C2H reaction: Potential energy surfaces and dynamics

    Journal of Physical Chemistry A, Vol. 105, Núm. 19, pp. 4716-4725

  2. A theoretical study of the low-lying electronic states of SC3

    Chemical Physics Letters, Vol. 343, Núm. 1-2, pp. 105-112

  3. Product energy distributions for the four-center HF elimination from 1,1-difluoroethylene. a direct dynamics study

    Chemical Physics Letters, Vol. 348, Núm. 1-2, pp. 81-88

1998

  1. Direct dynamic study of the dissociation and elimination channels in the thermal decomposition of methyl nitrite

    Journal of the American Chemical Society, Vol. 120, Núm. 30, pp. 7594-7601