Subject: Re: CCL:Re: CCL:Free Energy of Aluminium Hydroxide species

From: "William R. Smith" <[email-masked]>
Date: Fri, 10 May 1996 15:11:45 EDT

Hi,

    I too posted a reply, which also appeared to have vaporized.

    The reply was basically that I thought such data was available in
standard compilations like the JANAF tables, Gurvich tables, etc.

    As a related point, I'm "theoretical chemist/physicist" who is _not_ a
quantum chemist (stat mech actually), I'd like to ask/challenge the group
with a question:

    Why not use Group Contribution Methods for such calculations?  Surely
their accuracy is as good as or better than the current state of the art for
the QM approach.  If I'm wrong, pls enlighten me.

> I don't know if you received my message, since the copy to CCL did not arrive.
> I repost an other copy of my response to your question.
> Hope you will receive this message, also don't be worried if you receive this
> message two times. This is to be sure you have it. This could help you.
> Frederic

...snip
Best Regards,

W. R. Smith                        Professor
                                   Dept. of Mathematics and Statistics
                                   and School of Engineering 
                                   University of Guelph
FAX: 519-837-0221                  Guelph, Ontario
Tel: 519-824-4120, ext. 3038       CANADA N1G 2W1