Subject: ADF vs. NWCHEM

From: Damian Gregory Allis <[email-masked]>
Date: Wed, 25 Mar 1998 02:06:38 -0500

Greetings all!

	I'm in the midst of beginning a DFT study of some organometallanonabore
complexes, and am looking for information concerning the ability of ADF
over NWCHEM (or vice versa, or course) to deal with metals,
electron-deficient systems, and transition states.  Having finally
accepted the fact that I can't get DeFT to do it, I'm looking first for
stability (and ability) of the program to deal with metals and boron
cages.  If anyone has done any homework on the two programs, or simply
likes one over the other, please let me know.  

	Also, if anyone has had any particular success with any basis set
systems for carbon-metal-boron, metal-boron, boron-carbon, or that other
one, please relay that information, too.  I'm always looking for more
things to try.

						thanks in advance, 
						Damian
 
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