Publications by the researcher in collaboration with JOSE ANGEL SORDO GONZALO (27)

1998

  1. Competition between hetero-Diels-Alder and cheletropic addition of sulfur dioxide. Theoretical and experimental substituent effects on the relative stability of 3,6-dihydro-1,2-oxathiin-2-oxides (sultines) and 2,5- dihydrothiophene-1,1-dioxides (sulfolenes). Anomeric effects in sultine and 6-substituted derivatives

    Journal of Organic Chemistry, Vol. 63, Núm. 25, pp. 9490-9499

  2. On the origin of the endolexo selectivity in Diels-Alder reactions

    Chemical Communications, pp. 385-386

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. Anomeric effect in 1,3-dioxole: A theoretical study

    Journal of the American Chemical Society, Vol. 118, Núm. 41, pp. 9850-9854

  4. Mechanism of cheletropic reactions of 1,3-dienes with sulfur dioxide

    Journal of Physical Organic Chemistry, Vol. 9, Núm. 1, pp. 17-20

  5. 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

  6. Theoretical analysis of the decomposition of episulfones

    Journal of Physical Chemistry, Vol. 100, Núm. 32, pp. 13462-13465

  7. 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. A Comparative Analysis of the Mechanisms of Cheletropic and Diels-Alder Reactions of 1,3-Dienes with Sulfur Dioxide: Kinetic and Thermodynamic Controls

    Journal of Organic Chemistry, Vol. 60, Núm. 9, pp. 2848-2852

  2. 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

  3. Hetero-diels-alder additions of sulfur dioxide to 1,3-dienes: a proposal for a new reactive diene from ab initio calculations

    Tetrahedron, Vol. 51, Núm. 46, pp. 12661-12666

  4. 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

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

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

  6. 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. Ab Initio Study of the Lewis Acid-Catalyzed Diels-Alder Reaction of Sulfur Dioxide with Isoprene: Regioselectivity and Stereoselectivity

    Journal of the American Chemical Society, Vol. 116, Núm. 2, pp. 763-764

  2. Ab Initio Study of the Thermal and Lewis Acid-Catalyzed Hetero Diels-Alder Reactions of 1,3-Butadiene and Isoprene with Sulfur Dioxide

    Journal of Organic Chemistry, Vol. 59, Núm. 26, pp. 8058-8064

  3. Solvent effects on hetero Diels-Alder reactions of sulfur dioxide with 1,3-dienes

    Journal of the Chemical Society, Chemical Communications, pp. 1683-1684

  4. 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

  5. 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