Publikationen in Zusammenarbeit mit Forschern von Universidade de Vigo (11)

2016

  1. Relevance of weak intermolecular forces on the supramolecular structure of free or DMSO solvated 5-(4-X-benzylidene)rhodanines (X = F, Cl, Br, I)

    Journal of Molecular Structure, Vol. 1120, pp. 100-114

2007

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

    Journal of Physical Chemistry A

2005

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

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

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

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

2002

  1. A theoretical study of the dynamics of the S + c-C3H reaction

    Journal of Physical Chemistry A, Vol. 106, Núm. 37, pp. 8811-8819

  2. Dinámica de reacciones unimoleculares en fase gas. Desviaciones del comportamiento estadístico

    Quimica Nova, Vol. 25, Núm. 4, pp. 579-588

2001

  1. A direct dynamics study of the H2 elimination from 2,5-dihydrofuran

    Journal of Chemical Physics, Vol. 115, Núm. 17, pp. 7872-7880

  2. 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

1997

  1. Conformational analysis of model compounds of vitamin D by theoretical calculations

    Journal of Computational Chemistry, Vol. 18, Núm. 13, pp. 1647-1655

1992

  1. Molecular mechanics study of conformational trends in simple alcohols and ethers. II. Intramolecular hydrogen bonding

    Journal of Computational Chemistry, Vol. 13, Núm. 7, pp. 851-859