Subject: software for PED

From: "Millefiori Salvatore" <[email-masked]>
Date: Fri, 14 Jun 1996 13:06:11 +0100

Hi,

I am looking for free PC-software to get the Potential Energy Distribution
(PED) for description of vibrations which involve mixtures of internal
coordinates of molecules.

Thanks,
                 Andrea Alparone. 
 
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Dr. Andrea Giovanni Alparone               ________       ___
(c/o Prof. Salvatore Millefiori)           \___    \_____/  /
Dottorato di Ricerca Scienze Chimiche,         \          _/
Università di Catania.                          \______ CT\
Address: Dipartimento Scienze Chimiche,                \___\
Viale A. Doria,6- 95125 Catania, ITALY.
Phone: 39-95-330319 (334)
E-mail: [email-masked]
__________________________________________________________________________

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From: Gert Everaert <[email-masked]>
Date: Fri, 14 Jun 1996 15:04:16 +0200 (METDST)

This may be of interest :

gar2ped is a utility program for post-processing the archive records of 
GAUSSIAN 94 frequency calculations. Features include isotopic shifts, 
potential energy distribution, APT population analysis, and vibrational 
mode animation. It was written by C. Van Alsenoy and J.M.L. Martin and is 
available by anonymous ftp from the Computational Chemistry Archives at 
ftp://ftp.ccl.net/pub/chemistry

Sincerely,

Gert

_______________________________________________________________________________

Gert Everaert
RUCA, Department of Chemistry             Tel:     + 32 3 218 03 63        
Groenenborgerlaan 171                     Fax:     + 32 3 218 02 33
B 2020  Antwerpen                         E-mail   [email-masked]	 
Belgium
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