Hello all,
I am trying to model the interactions of intercalated molecules
in lamellar phosphates of Ti. I am looking for molecular mechanics
parameters (van der Waals parameters at least) for this compounds.
Does anybody know where I could obtain these parameters or
a method to calculate them ?
Thanks in advance,
Miguel A. Salvado
Miguel A. Salvado
Dpto. Quimica Fisica y Analitica
Universidad de Oviedo
E-mail: mass()at()dwarf1.quimica.uniovi.es