• Aqueous halide potentials from force matching of Car-Parrinello data 

      Spangberg, Daniel; Guàrdia Manuel, Elvira; Masia, Marco (Elsevier, 2012-02-15)
      Article
      Accés restringit per política de l'editorial
      Recently many various research groups have devoted a huge effort to develop a realistic classical force field for ions in water. The parametrization techniques used could be gathered into two classes: (i) fit of the ...