Subject: transition state search

From: "Dr. Heinz Schiffer" <[email-masked]>
Date: Thu, 02 Oct 1997 17:20:38 +0200

Hi netters,
>from the answers I got to my previous question concerning a program
to perform transition state searches I learned, that it was not very
precise.  The original question was :
> I am looking for a free software package to perform transition
> state searches on molecular potential energy surfaces (computed
> on the fly !).
But I am really looking for such a program independent
of an ab initio or semi-empirical package. I.e. I am looking for
a stand-alone program which just reads energies, gradients, and
(hopefully not) hessians, computed by any semi-empirical, force-field,
or ab initio program, and then perform the search. And even better
would be, if such a program would have implemented several different
methods, like the one by Schlegel, Bofill, Quapp, Zerner, Baker,
Ruedenberg, Carter, and many, many others. If anyone know such a program
(for free), please mail me. I would greatly appreciate any help.
Ciao
Heinz
-- 
Dr. Heinz Schiffer                  Phone ++49-69-305-2330                      
Hoechst Research & Technology       Fax   ++49-69-305-81162                     
Scientific Computing, G864          Email [email-masked]         
65926 Frankfurt am Main                   [email-masked]