Subject: DFT AGAIN

From: "E. Lewars" <[email-masked]>
Date: Mon, 28 Aug 1995 11:11:59 -0400

With regard to the recent query about DFT by someone new to it (isn't 
everyone?) I'd like to add just a few more refs to the two (the book by
Warren Hehre and the paper by Del Bene et al) I gave :
DFT and radical cations  L. A. Eriksson, S. Lunell and R. J. Boyd
	J Am Chem Soc 115 6896 (1993)
DFT and freqs (of Cn isomers)  J. Hutter et al
	J Am Chem Soc 116 750 (1994)
DFT --unreliable for reaction pathways (i.e. transition states)? See
S. Gronert, G. L. Merrill and S. R. Kass
	J Org Chem 60 488 (1995)
DFT--unreliable for energies?  See
D. A. Plattner and K. N. Houk
	J Am Chem Soc 117 4405 (1995)
Errol Lewars
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