Subject: Gasteiger charges questions

From: Joe Leonard <[email-masked]>
Date: Mon, 14 Jan 2002 19:57:34 -0500

Folks,

1) When people refer to Gasteiger (or Gasteiger-Marsili) charges, do they
refer to the sigma charges from the original paper or the sigma/pi charges
> from the second paper?

J. Gasteiger, M. Marsili, Tetrahedron, 36, 1980, 3219; M. Marsili, J. 
Gasteiger, Croat. Chem. Acta, 53, 1980, 601

2) Have these parameters been updated or extended over the last, what,
20+ years?  If so, are they accessible/published?  OELib has what looks
like extensions, but they aren't documented and only seem to refer to
the sigma charges...

3) Is there any kind of validation suite for this work?  If so, where?

4) Does anybody have a copy of the Croat. Chem. Acta paper mentioned
above that they could email me?  I've found many of the others listed,
but this one's a little too obscure...

Comments/suggestions welcome, and if I get some replies, I'll summarize
for the net!

Thanks in advance!

Joe Leonard
[email-masked]