Subject: Faraday Discussion

From: [email-masked] (David C. Clary)
Date: Fri, 18 Apr 1997 12:18:44 +0000

Faraday Discussion No: 110
CHEMICAL REACTION THEORY
University of St Andrews, Scotland
1-3 July 1998

CALL FOR ABSTRACTS

This will be the first Faraday Discussion devoted purely to the theory of
chemical reactions, one of the most rapidly developing areas of theoretical
chemistry. Predictions on the dynamics of the reactions of small molecules
can now be as reliable as experimental measurements and the accuracy of
calculations on more complicated problems ranging from reactions of organic
molecules to reactions on surfaces and in solution is improving at a very
fast pace.

The committee specially welcomes theoretical or computational papers in the
following areas:

*   ab initio calculation of accurate potential energy surfaces for
chemical reactions
*   scattering theory for the accurate treatment of the reactions of small
molecules
*   extension of theory to dynamics and kinetics of larger molecules
*   reactions of molecules on solid surfaces and in solution

The papers chosen for the Discussion will be concerned with theory or
calculations that can be tested by comparison with experiment.

St Andrews University on the east coast of  Scotland is over 500 years old
and is a beautiful place to hold the meeting (especially in July). The
accommodation facilities there are excellent. There are good connections to
St Andrews from the international airport at Glasgow and also from
Edinburgh.

Contributions are invited for consideration by the Organising Committee.
Titles and abstracts of about 300 words should be submitted no later than 1
JUNE 1997 to Professor D C Clary, Department of Chemistry, University
College London, London WC1H OAJ (email: [email-masked]).

Full papers for publication in the Faraday General Discussion 110 volume
will be required by February 1998.

Organising Committee: D C Clary (Chairman), J N L Connor, I H Hillier, S
Holloway, W C Mackrodt , D E Manolopoulos,  M  A Robb

web site: http://physchem.ox.ac.uk/~mano/faraday.html

 ------------------------------------------------------------------
 Professor David C. Clary,
 Dept of Chemistry, University College London,
 20 Gordon Street, London WC1H OAJ, UK.
 Tel (0)171-391-1488, Fax (0)171-380-7463.
 email:   [email-masked]