Subject: Re: free energy of formation

From: "Boyd" <[email-masked]>
Date: 15 Nov 2000 11:18:32 -0500

Dear Giju,

>Hi Everybody,
>Could you please give me some references or suggestions on how
>to estimate classical free energy of formation of a molecule?
>Thanks in advance,
>Giju

You will find some useful material in the chapter:

L. A. Curtiss, P. C. Redfern, and D. J. Frurip, in Reviews in 
Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., 
Wiley-VCH, New York, 2000, Vol. 15, pp. 147-211.  Theoretical 
Methods for Computing Enthalpies of Formation of Gaseous 
Compounds.

Good luck, Don

Donald B. Boyd, Ph.D.
Editor, Reviews in Computational Chemistry
	http://chem.iupui.edu/rcc/rcc.html
Editor, Journal of Molecular Graphics and Modelling
	(publication of the ACS COMP division and MGMS)
	http://chem.iupui.edu/~boyd/jmgm.html
Department of Chemistry
Indiana University-Purdue University at Indianapolis
402 North Blackford Street
Indianapolis, Indiana 46202-3274, U.S.A.
Telephone 317-274-6891, FAX 317-274-4701
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