Subject: ACS/Orlando, Panel Discussion: "Computational Thermochemistry"

From: Karl Irikura <[email-masked]>
Date: Tue, 20 Aug 1996 14:53:09 -0400

>	Panel Discussion on Computational Thermochemistry
>
>	  (Symposium on Computational Thermochemistry)
>
>	Tuesday, August 27, 10-noon Omni-Rosen Hotel, Salon 15 (level 2)
>
>	
>Topic areas will include:
>
>	Thermochemical data needs in industry, academia, military, etc.
>	Bottlenecks in generating data
>	Experimental verification needs
>	Suggestions for techniques development (user friendliness, etc.)
>	Condensed phase data (vaporization heats, sublimation heats,...)
>	Common, consensus test data set for model verification 		
>
>Panel Members:
>
>                Dr. David Frurip (Discussion Leader)
>                The Dow Chemical Co.
>
>                Dr. Joseph Golab
>                Amoco Corp.
>
>                Prof. Klavs Jensen
>                Massachusetts Institute of Technology
>
>                Maj. Walter Lauderdale, Ph.D.
>                Wright-Patterson AFB
>
>                Dr. George Thomson
>                Design Institute for Physical Property Research (DIPPR)
>
>
>This panel discussion offers a unique opportunity for both the users of
>thermochemical data and the researchers who are developing the techniques to
>discuss, in an open forum, how to work toward common goals which are mutually
>beneficial. 
>
>If you are involved with the development of new computational methods,  
>you should come away from this discussion with a clearer picture of the actual 
>thermochemical needs in both the industrial and academic areas.  These needs 
>may be data on particular classes of compounds or they may be
technique-related.
>
>If you are a user of thermochemical data, this is your opportunity to advertise
>your concerns, needs, and experiences to a broad audience.  We hope to arrive
>at a consensus list of reasonable ideas which can be translated into tangible
>action items.
>
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Dr. Karl K. Irikura
Physical and Chemical Properties Division
National Institute of Standards and Technology
Gaithersburg, MD  20899
voice: 301-975-2510	fax: 301-975-3670
e-mail: [email-masked]
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