Subject: Re: CCL:How to get bond stretching and bending force constants from gaussian freq calculation

From: Michele Lunelli <efunit _(a)_ yahoo.it>
Date: Tue, 17 May 2005 15:52:32 +0200

eric breynaert wrote:

> 
> Is it possible to get bond stretching and bending force constants from a 
> gaussian freq calculation?
> 

Take a look to these papers:

S.M. Seminario, Int. J. Quantum Chemistry: Quantum Chemistry Symposium, 
30, 1271-1277 (1996)

U. Ryde, Proteins, 21, 40-56 (1995)

Regards,
Michele Lunelli