Subject: basis sets

From: Matt Stahl <[email-masked]>
Date: Tue, 4 Oct 1994 10:07:31 -0700 (MST)

Greetings,
	I'm in the process of modeling the transition state of methyl 
lithium addition to a ketone using ab initio methods.  I'm curious to 
know what the experts would choose as a basis set for this problem.  More 
specifically, would polarization functions (*) or diffuse functions (+) 
be more important for the modeling of this system correctly.  I guess the 
question comes down to how much anionic character the "methyl" of the 
methyl-lithium has.  Can anyone help me out on this?

Thanks,
matt

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Mr. Matthew Stahl			| 
Department of Chemistry			| I'd rather be right half of the
University of Arizona			| time than half right all the
Tucson, AZ  85721			| time.
[email-masked]		|	-Malcom S. Forbes
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