Subject: CCL: SUMMERY Energy analysis?

From: Thomas Nowak <[email-masked]>
Date: Wed, 15 Jul 1998 16:39:14 +0200 (METDST)

I want to thank all of you who gave me a reply...

the orginal question was:
-------------------------------------------------------------------------

Hi,

I am looking for program for the analysis of the bond energy.  I know
there is one implementation of the Morokuma algorithm in ADF, so i looking
for other implementations of this or similar algorithm which can be used
with other quantum chemistry programs. It would be great, if we
can do such analysis on DFT level. 

-------------------------------------------------------------------------
[email-masked] wrote:

I would be interested in any answers that you receive. Thanks, Alan

----- 
Alan Shusterman 
Department of Chemistry 
Reed College Portland, OR
www.reed.edu/~alan
---------------------------------------------------------------------------
Dmitry Khoroshun <[email-masked]> wrote:

Hello! 

GAMESS is also able of performing EDA. 

Sincerely, 
Dmitry Khoroshun
[email-masked]
--------------------------------------------------------------------------
Timm Lankau <[email-masked]> wrote:

Sehr geehrter Herr Nowak,

GAMESS US hat eine Implementation des Morokuma-Algorithmus - leider nur
fuer RHF Rechnungen. 

Mit freundlichen Gruessen
Timm Lankau
----------------------------------------------------------------------------
Andreas Ehlers <[email-masked]> wrote:

Hallo Thomas,

Prof. Frenking in Marburg hat etwas aehnliches, die CDA Analyse. Am besten
informierst du dich bei ihm: 

Prof. Gernot Frenking Fachbereich Chemie Philipps-Universitaet Marburg
Hans-Meerwein-Strasse D-35032 Marburg Germany

Tel: (06421)285563
            281535 (Sekr)  FAX: (06421)282189
http://www.chemie.uni-marburg.de/~frenking/ mail:
[email-masked]

Viel Erfolg,

Andreas
----------------------------------------------------------------------------

Thanks to all

Thomas Nowak 
Martin-Luther Universitaet Halle 
FB Chemie (Merseburg)  
IPC
06099 Halle

email: [email-masked]