Subject: CCL: BSSE safe zone

From: Garcia Edgardo <[email-masked]>
Date: Tue, 31 Oct 1995 12:07:07 -0700 (MST)

Does anybody know which would be a good safe minimum distance to possition
two small molecules so that the resultant intermolecular energy, from ab 
initio and/or AM1 calculations, is free from BSSE ?

The distance can be considered to be from the center of mass of small 
molecules or minimum distance for two atoms one from each molecule.

Thanks for any hints.

Edgardo Garcia
Cristol Chem & Biochem
University of Colorado
BOULDER CO   USA