Publicacións en colaboración con investigadores/as de University of Minnesota (9)

2009

  1. Unraveling the mechanisms of ribozyme catalysis with multiscale simulations

    Challenges and Advances in Computational Chemistry and Physics (Springer), pp. 377-408

2008

  1. Allenl azide cycloaddtion chemistry. Photochemical initiation and cul mediation leads to improved regioselectivity

    Organic Letters, Vol. 10, Núm. 8, pp. 1665-1668

  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. Cyclization cascade of allenyl azides: A dual mechanism

    Journal of the American Chemical Society, Vol. 129, Núm. 24, pp. 7638-7646

2006

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

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

2005

  1. Ellipticity: A convenient tool to characterize electrocyclic reactions

    Chemistry - A European Journal, Vol. 11, Núm. 6, pp. 1734-1738

  2. Pseudorotation barriers of biological oxyphosphoranes: A challenge for simulations of ribozyme catalysis

    Chemistry - A European Journal, Vol. 11, Núm. 7, pp. 2081-2093

2004

  1. Pseudorotation of natural and chemically modified biological phosphoranes: Implications for RNA catalysis

    ChemPhysChem, Vol. 5, Núm. 7, pp. 1045-1049

  2. Theoretical study of the vinyl allene oxide to cyclopent-2-en-1-one rearrangement: Mechanism, torquoselectivity and solvent effects

    Journal of Organic Chemistry, Vol. 69, Núm. 11, pp. 3635-3644