Publicaciones en colaboración con investigadores/as de Harvard University (11)

2020

  1. Toxic and Physiological Metal Uptake and Release by Human Serum Transferrin

    Biophysical Journal, Vol. 118, Núm. 12, pp. 2979-2988

2003

  1. A charge-scaling method to treat solvent in QM/MM simulations

    Theoretical Chemistry Accounts

  2. Alkaline hydrolysis of amide bonds: Effect of bond twist and nitrogen pyramidalization

    Journal of Physical Chemistry A, Vol. 107, Núm. 13, pp. 2304-2315

1999

  1. Mechanism of alkaline hydrolysis of cyclic and acyclic sulfates: An ab initio study with solvation correction

    Journal of the American Chemical Society, Vol. 121, Núm. 23, pp. 5548-5558