Publicaciones en colaboración con investigadoras/es de Sandia National Laboratories (2)

2011

  1. Path integral computation of quantum free energy differences due to alchemical transformations involving mass and potential

    Journal of Chemical Theory and Computation, Vol. 7, Núm. 8, pp. 2358-2369

2010

  1. Enol tautomers of Watson-Crick base pair models are metastable because of nuclear quantum effects

    Journal of the American Chemical Society, Vol. 132, Núm. 33, pp. 11510-11515