Subject: Cavity size in PCM

From: "Teodorico Ramalho" <[email-masked]>
Date: Fri, 17 Jan 2003 20:56:33 -0200

Hi, 
    I would like to known if anyone to have some reference about the cavity size effect in PCM (polarizable continuum model) in calculation with molecules in form neutral and ionized. In other words, is there great change in cavity radii when the molecule is in its ionized form (+1 electron) ? Thanks by help.

 Best regardes,

 Teodorico C. Ramalho