Publications by the researcher in collaboration with ANGEL RODRIGUEZ DE LERA (33)

2011

  1. Bond ellipticity as a measure of electron delocalization in structure and reactivity

    Current Organic Chemistry, Vol. 15, Núm. 20, pp. 3576-3593

  2. Computational study of the intramolecular pericyclic reactions of aldazines and some pseudopericyclic variants

    European Journal of Organic Chemistry, pp. 2933-2939

  3. On the memory of chirality in gold(I)-catalyzed intramolecular carboalkoxylation of alkynes

    Journal of Organic Chemistry, Vol. 76, Núm. 10, pp. 3791-3796

2010

  1. Competing thermal electrocyclic ring-closure reactions of (2Z)-Hexa-2,4,5-trienals and their schiff bases. Structural, kinetic, and computational studies

    Journal of Organic Chemistry, Vol. 75, Núm. 13, pp. 4453-4462

2009

  1. Complex thermal behavior of 11-cis-retinal, the ligand of the visual pigments

    Journal of Organic Chemistry, Vol. 74, Núm. 3, pp. 1007-1013

  2. Electrocyclic ring opening of charged cis-bicyclo[3.2.0]heptadiene and heterocyclic derivatives. the anti-Woodward-Hoffmann quest (II)1

    Journal of Organic Chemistry, Vol. 74, Núm. 6, pp. 2396-2402

  3. Mechanism of the gold-catalyzed rearrangement of (3-acyloxyprop-1-ynyl) oxiranes: A dual role of the catalyst

    Journal of Organic Chemistry, Vol. 74, Núm. 8, pp. 2982-2991

  4. Regio-, peri-, and torquoselectivity in hydroxy heptatrienyl cation electrocyclizations: The iso/homo-nazarov reaction

    Chemistry - A European Journal, Vol. 15, Núm. 8, pp. 1944-1956

  5. Torquoselectivity in the electrocyclic ring-opening of cyclopropyl anions

    Journal of Physical Organic Chemistry, Vol. 22, Núm. 5, pp. 378-385

2008

  1. Characterization of the switch in the mechanism of an intramolecular Diels-Alder reaction

    Journal of Organic Chemistry, Vol. 73, Núm. 2, pp. 467-473

  2. Mechanistic insights into the stereocontrolled synthesis of hexahydropyrrolo[2,3-b]indoles by electrophilic activation of tryptophan derivatives

    Organic Letters, Vol. 10, Núm. 1, pp. 77-80

2007

  1. Electrocyclic ring opening of cis-bicyclo[m.n.0]alkenes: The anti-woodward-hoffmann quest

    Chemistry - A European Journal, Vol. 13, Núm. 17, pp. 5009-5017

  2. Pseudopericyclic design drives antara-antara [1,5] methylene sigmatropic shifts from a stepwise to a concerted mechanism

    Journal of Computational Chemistry, Vol. 28, Núm. 8, pp. 1411-1416

  3. Sulfoxide-induced stereoselection in [1,5]-sigmatropic hydrogen shifts of vinylallenes. A computational study

    Journal of Organic Chemistry, Vol. 72, Núm. 7, pp. 2617-2624

2006

  1. Computation of vertical excitation energies of retinal and analogs: Scope and limitations

    Journal of Computational Chemistry, Vol. 27, Núm. 1, pp. 116-123

  2. Computational characterization of a complete palladium-catalyzed cross-coupling process: The associative transmetalation in the Stille reaction

    Organic Letters, Vol. 8, Núm. 1, pp. 35-38

  3. Computational study and analysis of the kinetic isotope effects of the rearrangement of cis-bicyclo[4.2.0]oct-7-ene to cis,cis-cycloocta-1,3-diene

    Organic Letters, Vol. 8, Núm. 10, pp. 2055-2058

  4. Cycloisomerization of activated (2E,4Z)-heptatrienoate and its relevance to crispatene (bio)synthesis. A case of concerted and stepwise uncertainty

    Journal of Organic Chemistry, Vol. 71, Núm. 12, pp. 4497-4501

  5. Mechanism of the gold(I)-catalyzed Rautenstrauch rearrangement: A center-to-helix-to-center chirality transfer

    Journal of the American Chemical Society, Vol. 128, Núm. 7, pp. 2434-2437

  6. QCRNA 1.0: A database of quantum calculations for RNA catalysis

    Journal of Molecular Graphics and Modelling, Vol. 25, Núm. 4, pp. 423-433