Publicaciones en colaboración con investigadores/as de Universidad de Oriente - Santiago de Cuba (11)

1999

  1. Density functional studies of the pseudo-π.aσ charge-transfer complex between cyclopropane and chlorine monofluoride

    Physical Chemistry Chemical Physics, Vol. 1, Núm. 9, pp. 2203-2207

1998

  1. Density functional studies of the n.aσ charge-transfer complex between sulfur dioxide and chlorine monofluoride

    Journal of Physical Chemistry A, Vol. 102, Núm. 45, pp. 8974-8978

  2. Molecular and electronic structures of (TiXH6)0/-, X = B, Al, Ga, compounds

    Journal of Physical Chemistry A, Vol. 102, Núm. 11, pp. 2055-2064

1997

  1. Density functional studies of the bπ.aσ charge-transfer complex formed between ethyne and chlorine monofluoride

    Journal of Physical Chemistry A, Vol. 101, Núm. 16, pp. 3021-3024

  2. G2 study of the triplet and singlet [H3, P2]+ potential energy surfaces. Mechanisms for the reaction of P+(1D,3P) with PH3

    Journal of Physical Chemistry A, Vol. 101, Núm. 11, pp. 2166-2172

  3. G2 study of triplet [H4, Si, P]+ potential energy surface: Mechanism for reaction of P+ (3P) with silane

    Journal of Computational Chemistry, Vol. 18, Núm. 1, pp. 9-19

  4. Molecular and electronic structures of TiXH6+ (X = B, Al, Ga) compounds

    Journal of Physical Chemistry A, Vol. 101, Núm. 33, pp. 5953-5957

  5. Properties of some weakly bound complexes obtained with various density functionals

    Journal of Molecular Structure: THEOCHEM, Vol. 397, Núm. 1-3, pp. 191-197

  6. Reaction of P+ (3P) with methylamine: A detailed study of the potential energy surface and reaction mechanisms

    Journal of Physical Chemistry A, Vol. 101, Núm. 26, pp. 4807-4813

1996

  1. On the molecular and electronic structures of the H3TiTiH3 species

    Journal of Physical Chemistry, Vol. 100, Núm. 30, pp. 12277-12279

1995

  1. G1 and G2 study of the triplet [H4, C, O, P]+ potential energy surface. Mechanisms for the reaction of P+ (3P) with methanol

    Journal of Physical Chemistry, Vol. 99, Núm. 32, pp. 12170-12178