Subject: Summary of hydroxyepoxide cyclization reaction

From: Yong Liang Yang <yonyang=at=ic.sunysb.edu>
Date: Mon, 17 Nov 2003 15:02:53 -0500 (EST)

Dear CCL users:

Thank you all for the response and the advice.
I have been able to locate a TS structure for
hydroxylepoxide cyclization reaction(include epoxide
ring open process). A good starting point (initial guess
structure) can be achieved either from CAChe Mopac 2002 program
or semi-empirical AM1 level in spartan program. This reaction
is a little complicated with some degrees of freedom and I
tried couples of times to finally locate a good structure.
In the further refinement of this structure in Gaussian,
OPT=Calcall,Tight.....etc. keyword was also included to
fully optimize the structure.

Especially thanks to Dr. David Gallagher and Dr. James J.P.Stewart
> from CAChe Mopac group, Dr. Phil Hultin , Dr. Ed lau, Dr. Gary Breton.
Thank you all again. Have a good day!

Cheers

Yong L.Y.

Department of Chemistry,