Publications by the researcher in collaboration with OLALLA NIETO FAZA (34)

2012

  1. DFT-based insights into Pd-Zn cooperative effects in oxidative addition and reductive elimination processes relevant to Negishi cross-couplings

    Organometallics, Vol. 31, Núm. 5, pp. 2053-2058

  2. Mechanistic and sterochemical insights on the Pt-catalyzed rearrangement of oxiranylpropargylic esters to cyclopentenones

    Journal of Organic Chemistry, Vol. 77, Núm. 19, pp. 8733-8743

2011

  1. DFT-based mechanistic insights into noble metal-catalyzed rearrangement of propargylic derivatives: Chirality transfer processes

    Topics in Current Chemistry, Vol. 302, pp. 81-130

  2. 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. Synthesis of diverse indole-containing scaffolds by gold(I)-catalyzed tandem reactions of 3-propargylindoles initiated by 1,2-indole migrations: Scope and computational studies

    Chemistry - A European Journal, Vol. 16, Núm. 32, pp. 9818-9828

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. Associative transmetalation in the stille cross-coupling reaction to form dienes: Theoretical insights into the open pathway

    Organometallics, Vol. 27, Núm. 14, pp. 3378-3389

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

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

2007

  1. A density functional theory study of the stille cross-coupling via associative transmetalation. the role of ligands and coordinating solvents

    Advanced Synthesis and Catalysis, Vol. 349, Núm. 6, pp. 887-906

  2. 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

  3. 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

  4. 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