Publicacións en colaboración con investigadores/as de Pacific Northwest National Laboratory (4)

2024

  1. Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement

    Computer Physics Communications, Vol. 294

2019

  1. Selective Methane Oxidation to Methanol on Cu-Oxo Dimers Stabilized by Zirconia Nodes of an NU-1000 Metal-Organic Framework

    Journal of the American Chemical Society, Vol. 141, Núm. 23, pp. 9292-9304

2017

  1. Methane Oxidation to Methanol Catalyzed by Cu-Oxo Clusters Stabilized in NU-1000 Metal-Organic Framework

    Journal of the American Chemical Society, Vol. 139, Núm. 30, pp. 10294-10301

2007

  1. Variational transition state theory with multidimensional tunneling

    Reviews in Computational Chemistry, Vol. 23, pp. 125-232