Publicaciones en las que colabora con M REMEDIOS GONZALEZ LUQUE (12)

1990

  1. Analysis of the CIPSI/DCCI approach to characterize the HF AND F2 single bond

    Chemical Physics, Vol. 141, Núm. 2-3, pp. 285-295

  2. On the dissociation energy of Cu2 and CuH using a differential correlation approach

    Chemical Physics, Vol. 148, Núm. 1, pp. 69-76

  3. Selected dissociation- and correlation-consistent configuration interaction by a perturbative criterion

    The Journal of Chemical Physics, Vol. 93, Núm. 1, pp. 495-501

1988

  1. Theoretical ab initio study of the vinylcarbene-CuO complex: application to last step of the propylene partial oxidation mechanism on Cu2O

    Journal of Molecular Catalysis, Vol. 44, Núm. 3, pp. 323-336

1987

  1. A Cl study of the CuCO and CuCO+ complexes

    The Journal of Chemical Physics, Vol. 87, Núm. 3, pp. 1690-1700

1986

  1. An ab initio CI study on the rotational barrier of the allyl anion

    Theoretica Chimica Acta, Vol. 69, Núm. 2, pp. 101-106

  2. 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. 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

  3. 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 MO study of some aspects of the selective catalytic oxidation of propene to acrolein

    Chemical Physics Letters, Vol. 104, Núm. 2-3, pp. 203-209