Subject: CCL:Experience with Q-Chem?

From: "Dr. Rudolf Herrmann" <[email-masked]>
Date: Thu, 20 Mar 1997 18:36:26 GMT

Dear CCL-ers,
I have seen the web page of Q-Chem which is a massive parallel 
quantum chemistry package. I´m thinking about the possibility to 
convince our centre of calculations to buy it, but there is not much 
information available, the web page doesn´nt even tell the price...
So before I start to do something, I would like to know if someone 
has already gained experience with that program, in particular if it 
can treat somewhat more problematic molecules like ferrocene, and if 
the results are the same as those with Gaussian or Gamess.
I will summarize to the list.
Thank you very much in advance.
R.Herrmann
Dr. Rudolf Herrmann
Institut für Organische Chemie und Biochemie der 
Technischen Universität München
Lichtenbergstr. 4
D-85747 Garching
Tel. + 49 - 89 - 28913325
Fax  + 49 - 89 - 28912727