Publications by the researcher in collaboration with FRANCISCO TOMAS VERT (17)

2004

  1. Ab initio molecular orbital study of the substituent effect on ammonia and phosphine-borane complexes

    Journal of Molecular Structure: THEOCHEM

2001

  1. Thermochemical analysis of the OH + C2H4→ C2H4OH reaction using accurate theoretical methods

    Journal of Molecular Structure: THEOCHEM, Vol. 537, Núm. 1, pp. 199-212

2000

  1. G2(MP2) molecular orbital study of the substituent effect in the H 3 BPH 3-n F n ( n=0 -3) donor-acceptor complexes

    Chemical Physics Letters, Vol. 324, Núm. 1-3, pp. 156-160

1998

  1. Ab initio study on the mechanism of tropospheric reactions of the nitrate radical with alkenes: Ethene

    Journal of Organic Chemistry, Vol. 63, Núm. 20, pp. 6978-6983

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

1986

  1. MINDO/3 Study of the Rearrangement of 1‐Methylcyclohexyl Cation to 1,2‐Dimethylcyclopentyl Cation

    Journal of Computational Chemistry, Vol. 7, Núm. 4, pp. 417-427

  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

  3. Theoretical EHT study of propene adsorption on model clusters. Part II. Nickel VIIIb and zinc IIb transition metal oxides

    Journal of Molecular Catalysis, Vol. 34, Núm. 1, pp. 47-55

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

  6. Theoretical eht study of propene adsorption on model clusters of first series transition metal oxides and MgO

    Journal of Molecular Catalysis, Vol. 30, Núm. 1-2, pp. 81-93

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

  3. 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