Publicaciones en las que colabora con JOSE ANGEL SORDO GONZALO (17)

1996

  1. Ab initio study of the effect of CH ⋯ O hydrogen bonding on the exo/ endo stereoselectivity of Diels-Alder reactions of 2-substituted-1,3-dienes with sulfur dioxide

    International Journal of Quantum Chemistry, Vol. 57, Núm. 3, pp. 493-499

  2. Ab initio study of the formation of C3H3+ from the reaction of CH3+ with acetylene

    Journal of Computational Chemistry, Vol. 17, Núm. 7, pp. 905-909

  3. Synthesis of β-lactams from fluoroketenes and imines: Ab initio potential energy surfaces in gas phase and in solution

    Journal of Physical Chemistry, Vol. 100, Núm. 25, pp. 10600-10608

  4. Theoretical study of the gas-phase addition of HF and HCl to ethylene: Analysis of the catalytic action of a second hydrogen halide molecule

    Journal of Molecular Structure: THEOCHEM, Vol. 371, Núm. 1-3 SPEC. ISS., pp. 91-95

1995

  1. Comments on "Ab initio studies on the mechanism of the cycloaddition reaction of fluoroketene with imines: substituent effects (Z. Xu, D. Fang and X. Fu, J. Mol. Struct. (Theochem), 305 (1994) 191)"

    Journal of Molecular Structure: THEOCHEM, Vol. 331, Núm. 1-2, pp. 1-2

  2. On the effect of basis set quality on the description of transition structures: the π attack of CH3+ to C2H2

    Journal of Molecular Structure: THEOCHEM, Vol. 330, Núm. 1-3, pp. 381-384

  3. Solvent effects on the stereoselectivity of ketene-imine cycloaddition reactions

    Journal of the Chemical Society, Chemical Communications, pp. 1677-1678

  4. Theoretical study of the gas‐phase addition of HF and HCl to ethylene: Analysis of the catalytic action of dimeric halides

    Journal of Computational Chemistry, Vol. 16, Núm. 6, pp. 659-666

1994

  1. Theoretical analysis of the effect of Lewis acid catalysts on reactivity in the Diels-Alder reaction of 2-azabutadiene with ethylene

    Journal of Molecular Structure: THEOCHEM, Vol. 309, Núm. 3, pp. 295-299

  2. Theoretical analysis of the role of the solvent on the reaction mechanisms: One‐step versus two‐step ketene–imine cycloaddition

    Journal of Computational Chemistry, Vol. 15, Núm. 5, pp. 479-487

  3. Theoretical analysis of the thermal and Lewis acid catalyzed reactions of butadiene and acrolein

    Journal of Molecular Structure: THEOCHEM, Vol. 314, Núm. 3, pp. 241-245

1993

  1. ANACAL: a program to carry out a configurational analysis of the wave function of reactive systems

    Computer Physics Communications, Vol. 76, Núm. 2, pp. 235-249

  2. Torquoelectronic Effect in the Control of the Stereoselectivity of Ketene-Imine Cycloaddition Reactions

    Journal of Organic Chemistry, Vol. 58, Núm. 25, pp. 7036-7037

  3. Unfavourable orbital overlap at the transition state of a symmetry allowed reaction: A theoretical analysis

    Journal of the Chemical Society, Chemical Communications, pp. 1751-1753

1992

  1. Acid-catalyzed hydrogenation of ethylene. A theoretical analysis of bifunctional catalysis

    Journal of Physical Chemistry, Vol. 96, Núm. 3, pp. 1185-1188

  2. Theoretical study of the formation of cyclopropenyl cation from CH+ and acetylene

    Journal of Molecular Structure: THEOCHEM, Vol. 254, Núm. C, pp. 443-451

1988

  1. An alternative method to assess the quality of hartree-fock-roothaan wave functions

    Journal of Molecular Structure: THEOCHEM, Vol. 166, Núm. C, pp. 75-80