Subject: AM1 partial charges on N

From: Jose Luis Perez Lustres <[email-masked]>
Date: Wed, 13 Sep 2000 12:54:47 +0200 (MET DST)

Dear collegues,

Does anyone know any reference about the quality of partial charges on
nitrogen atoms calculated by AM1 by any method (NAO, Mulliken, ...). I
know that PM3 tends to do N's far too electropositive (see for example,
Cramer, C. J.; Truhlar, D. G.; J. Comp. Chem., 13 (9), 1089-1097) and
expect that AM1 could show the same bug, but have no reference for that. 
________________________________________________________________________
Jose Luis Perez Lustres - PhD student
Photochemistry Group (Physical-Chemistry Department) 
Santiago de Compostela University
Campus Sur - 15706 Santiago de Compostela 
SPAIN
Phone: ++81 + 563100 Ext 14300
Fax:   ++81 + 595012