Publications en collaboration avec des chercheurs 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