Subject: Comments from the Peanut Gallery

From: [email-masked] (Joe Golab)
Date: Tue, 19 Apr 1994 16:02:33 -0500

OKay, I can't resist anymore.  First a small correction: The BO does
NOT "allow us to ignore electrons" actually just the opposite.  The
BO states that to a good approximation, one can consider the electrons
in a molecule to be moving in the field of fixed nuclei.  This allows
QM to neglect the KE of the nuclei and makes the repulsion between
nuclei effectively constant.  The electrons are still there and handled
explicitly, self-consistently.

Basically, I agree with the assertion that if MM models are used
to do "structure" things - like determine the relative energies of
conformers - then everything is OK.

Finally, Please Stop The Debate About "REAL CHEMISTRY".  Unless you
are also an experimentalist, we all MODEL chemistry - some of it as
unreal as you can imagine!

"Can't we all just get along?"

-- 
:Joe
 [email-masked]
 (708) 961-7878