Subject: Re:Two summaries and an apology

From: "Mary O'Connor" <[email-masked]>
Date: Mon, 25 Sep 2000 12:39:45 -0400

To all CCLers:

     The first question I asked was regarding calculating heats of
formation. (This seems to be a popular question!)
     1.) In regards to using AM1-although this is not an ab initio
method, it still gives good results, and it was suggested that I use the
calculated heat of formation of the hydronium ion in my equations.
     2.) Volume 15 of Reviews in Computational Chemistry has a great
article on calculating heats of formation. I purchased a copy.

      On my question regarding the evolution of Gaussian basis sets:

     1.) I have ordered a book which was suggested, and will review it
when I read it. (The title escapes me at this moment, and I cannot find
the original print-out of the reply).
     2.) Several articles were cited:
         A.J. Sadlej, who authored two papers:  Collec. Czech. Chem.
Comm. 53, 1995 (1988)
                                                  and
Theor. Chim. Acta 79, 123 (1992)

 My thanks to everyone who responded to both of my questions. I can only
offer an apology for the tardiness of my summaries and the explanation
that I have an eye disease which has made me legally blind, so it takes
me a LONG time to read things and get around to a reply. I promise to
give prompt replies and summaries in the future. Thanks for your
patience.

Mary O'Connor
Doctoral Candidate
Rutgers University
New Brunswick, NJ