Subject: Glass transition temperature

From: Patrik Johansson <[email-masked]>
Date: Tue, 16 Oct 2001 10:39:59 +0200

Dear colleagues,

does anyone out there know of the applicability of computed torsional
barriers (by SE, HF, MP2 methods etc) about single bonds as a way to
predict glass transition temperatures (absolute or relative) for simple
polymers? The computations of course on oligomers.

Will summarize to the list.

all the best

/Patrik
-- 
Dr. Patrik Johansson
Scientist
Materials Physics
Chalmers University of Technology
412 96 Goteborg SWEDEN
[email-masked]
http://fy.chalmers.se/~jpatrik/