Subject: ACS Symposium -- Computational Thermochemistry

From: <[email-masked]>
Date: Tue, 12 Dec 1995 17:18:31 -0500 (EST)

-- Symposium announcement -- 
                                
                  COMPUTATIONAL THERMOCHEMISTRY

American Chemical Society	COMP Division
212th National Meeting		Orlando, Florida
		August 25-30, 1996

 ...including any computer-based means for predicting the thermochemical
properties of a substance. This encompasses everything from group methods
to high-level ab initio calculations.  Potential topic areas include:

          * Advances in Group Contribution Techniques
          * New Software to Predict Thermochemistry
          * New Computational Techniques
          * Validation of Predictive Methods
          * Applications of Techniques to Practical Problems

In addition to the technical presentations, there will be a panel discussion
of the needs for and applications of accurate thermochemical data.  The panel
is intended to represent the users of thermochemical data in areas such as
chemical processing, microelectronics, atmospheric modeling, the military,
etc.  We are now trying to identify the best possible panel members and will
appreciate any suggestions.   

So far, the following speakers have accepted invitations to the symposium: 
A. D. Becke (Queen's University); S. W. Benson (University of Southern
California); J. W. Bozzelli (New Jersey Institute of Technology);
C. J. Cramer/D. G. Truhlar (University of Minnesota); L. A. Curtiss (Argonne
National Laboratory); D. A. Dixon (Pacific Northwest National Laboratory);
E. S. Domalski (National Institute of Standards and Technology);
R. S. Drago (University of Florida); K. Harrison (University of Southern
Alabama);  A. J. Holder (University of Missouri); T. J. Lee (NASA Ames
Research Center); M. L. Mavrovouniotis (Northwestern University);
C. F. Melius (Sandia National Laboratories); G. A. Petersson (Wesleyan
University); P. Politzer (University of New Orleans);
P. E. M. Siegbahn/M. R. A. Blomberg (University of Stockholm); T. Ziegler
(The University of Calgary).

If you wish to contribute an oral or poster paper, or if you would like to
suggest speakers, panel members, etc., please contact one of the organizers
(below).  For planning purposes, we would appreciate receiving the titles
of contributed papers before the Spring meeting.

Dr. Karl K. Irikura                      	Dr. David J. Frurip
National Institute of Standards & Technology 	The Dow Chemical Company
(301) 975-2510                          	(517) 636-2446
fax 301-926-4513                        	fax 517-638-6027
irikura @ enh.nist.gov                  	dfrurip @ dow.com