Subject: MM calculations on cyclopropylamines and aziridines

From: <[email-masked]>
Date: Fri, 07 Jun 1996 11:58:34 -0600 (CST)

Hello,

A student of mine is modeling amine complexes and two of the ligands we are
interested in are cyclopropylamine and aziridine (sometimes, it seems, 
also referred as ethyleneimine).  We looked in the MM2 & MM3 papers from the 
Allinger group and found only data for "normal" aliphatic amines; two 
electronic literature searches have also come up empty.

Any information, published or unpublished, regarding the application of 
molecular mechanics to these species would be most welcome.

Sincerely,

Tom Cundari
Associate Professor of Chemistry
+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===
Thomas R. Cundari                          
Associate Professor of Chemistry              
Computational Inorganic Chemistry Lab      
University of Memphis                      
Memphis, TN 38152                          
phone: 901-678-2629                         
fax:   901-678-3447                        
e-mail: [email-masked]
http://www.chem.memphis.edu/compchem.html
+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===+===