Publicaciones en las que colabora con MANUELA MERCHAN BONETE (11)

1994

  1. A theoretical study of the geometry and electronic spectra of dioxirane, dioxymethane and its anion

    Chemical Physics Letters, Vol. 229, Núm. 3, pp. 181-190

1989

  1. A MO-CI study on the interaction of copper(I) with methylene: The (CuCH2)+ carbene-like ground state

    Journal of Physical Chemistry, Vol. 93, Núm. 18, pp. 6596-6601

1988

  1. On the low-lying states of the copper methylene (CuCH2) complex. a MO CI study

    Chemical Physics Letters, Vol. 149, Núm. 2, pp. 222-227

1986

  1. Pseudopotential ab initio study of σ-complexes between metallic cations and allyl anion: application to propene catalytic partial oxidation mechanism

    Journal of Molecular Catalysis, Vol. 36, Núm. 3, pp. 243-251

1985

  1. A pseudopotential ab initio study of a β-complex between transition metals and allyl anion

    Journal of Molecular Structure: THEOCHEM, Vol. 120, Núm. C, pp. 479-484

  2. A pseudopotential ab initio study on the interaction between propynyl cation and copper monoion

    Journal of Molecular Structure: THEOCHEM, Vol. 120, Núm. C, pp. 485-490

  3. Catalytic role of copper(I) ion on the propargylic transposition. A theoretical study

    Journal of Physical Chemistry, Vol. 89, Núm. 22, pp. 4769-4773

  4. Pseudopotential Ab initio study of allylcopper complex: application to propene catalytic partial oxidation mechanism

    Journal of Molecular Structure: THEOCHEM, Vol. 22, Núm. 1-5, pp. 57-67

  5. Rotational barrier of the allylcopper complex. An ab initio molecular-orbital study

    Chemical Physics Letters, Vol. 114, Núm. 5-6, pp. 516-519

1984

  1. A pseudopotential ab initio molecular orbital study of the copper(I)-ethylene system

    Chemical Physics Letters, Vol. 112, Núm. 5, pp. 412-416

  2. An ab initio study of intramolecular hydrogen bonding in malonic acid and its monoanion

    Journal of Molecular Structure: THEOCHEM, Vol. 109, Núm. 1-2, pp. 51-60