Parameters for hexachloroethane

From: Bjorn-Olav Brandsdal <>
Date: Wed 5 Jun 2002 11:13:54 +0200

Hi there,
we are calculating atomic charges for hexachloroethane using the resp
strategy, but we end up with positive charges at the chlorine atoms. Does
anyone have a clue to what the atomic charges should be? Our guess is that
they should be slightly negative. Any suggestions will be appreciated.

Best regards,

Dr. Bjorn O. Brandsdal
Protein Structure group
Faculty of Science
University of Tromsoe, Norway
N-9037 Tromsoe
Received on Wed Jun 05 2002 - 02:13:54 PDT
Custom Search