Publications by the researcher in collaboration with José Ignacio García Laureiro (8)

2011

  1. Accurate calculation of chemical shifts in highly dynamic H 2@C60 through an integrated quantum mechanics/molecular dynamics scheme

    Organic Letters, Vol. 13, Núm. 10, pp. 2528-2531

  2. Can enantioselectivity be computed in enthalpic barrierless reactions? the case of CuI-catalyzed cyclopropanation of alkenes

    Chemistry - A European Journal, Vol. 17, Núm. 2, pp. 529-539

2010

  1. Stereoselectivity induced by support confinement effects. Aza-pyridinoxazolines: A new family of C1-symmetric ligands for copper-catalyzed enantioselective cyclopropanation reactions

    Dalton Transactions, Vol. 39, Núm. 8, pp. 2098-2107

2009

  1. The unusual reactivity of benzene and monosubstituted benzenes towards tetracyanoethylene oxide: A theoretical study

    New Journal of Chemistry, Vol. 33, Núm. 3, pp. 471-478

2008

  1. Mechanistic insights on the site selectivity in successive 1,3-dipolar cycloadditions to meso-tetraarylporphyrins

    Tetrahedron, Vol. 64, Núm. 34, pp. 7937-7943

  2. Surface confinement effects on enantioselective cyclopropanation. Reactions with supported chiral 8-oxazolinylquinoline-copper complexes

    Organometallics, Vol. 27, Núm. 10, pp. 2246-2251

2007

  1. Mechanistic Study of the Ring-Size Modulation in Michael-Dieckmann type Reactions of 2-Acylaminoacrylates with Ketene Diethyl Acetal

    New Journal of Chemistry, Vol. 31, Núm. 2, pp. 224-229

  2. QM/MM modeling of enantioselective pybox-ruthenium- and box-copper-catalyzed cyclopropanation reactions: Scope, performance, and applications to ligand design

    Chemistry - A European Journal, Vol. 13, Núm. 14, pp. 4064-4073