Publicaciones en colaboración con investigadores/as de University of Pittsburgh (3)

2016

  1. The role of CuCl on the mechanism of dibenzo-p-dioxin formation from poly-chlorophenol precursors: A computational study

    Chemosphere, Vol. 145, pp. 77-82

2013

  1. CENCALC: A computational tool for conformational entropy calculations from molecular simulations

    Journal of Computational Chemistry, Vol. 34, Núm. 23, pp. 2041-2054

2012

  1. Multibody local approximation: Application to conformational entropy calculations on biomolecules

    Journal of Chemical Physics, Vol. 137, Núm. 8