Subject: CCL: Use of AIM in Examining Transition States

From: "Zottola, Mark (Cont,ARL/CISD)" <MZottola.-at-.arl.army.mil>
Date: Wed, 2 Jun 2004 15:03:05 -0400

Can AIM be used to evaluate bonding in a transition state structure?
After reading Bader's web site, he often refers to equilibrium
structures.  Yet it seems that there is no apparent prohibition against
employing AIM to studying transition states.  Since AIM is based on a
physical observable and a TS is not a physical observable is it still
valid to apply AIM analysis to a transition state?
 
Thanks!
 
Mark
************************************************
Dr. Mark A. Zottola
Army Research Laboratory
Aberdeen Proving Grounds
PB #134 939-I Beards Hill Road
Aberdeen, MD 21001
Voice: 410 278 7250  FAX: 410 297 9521
Email:  mzottola.-at-.arl.army.mil