Publicacións en colaboración con investigadores/as de University of Minnesota (14)

2020

  1. Present and future of surface-enhanced Raman scattering

    ACS Nano, Vol. 14, Núm. 1, pp. 28-117

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

  3. Evidence of random magnetic anisotropy in ferrihydrite nanoparticles based on analysis of statistical distributions

    Physical Review B - Condensed Matter and Materials Physics, Vol. 77, Núm. 13

  4. Role of Mg2+ in hammerhead ribozyme catalysis from molecular simulation

    Journal of the American Chemical Society, Vol. 130, Núm. 10, pp. 3053-3064

2007

  1. Cyclization cascade of allenyl azides: A dual mechanism

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

  2. Insight into the role of Mg2+ in hammerhead ribozyme catalysis from X-ray crystallography and molecular dynamics simulation

    Journal of Chemical Theory and Computation, Vol. 3, Núm. 2, pp. 325-327

2006

  1. Multilevel and density functional electronic structure calculations of proton affinities and gas-phase basicities involved in biological phosphoryl transfer

    Journal of Physical Chemistry A, Vol. 110, Núm. 2, pp. 791-797

  2. 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