CCL:G: Ring pseudorotation
- From: Alcides Simao <alsimao() gmail.com>
- Subject: CCL:G: Ring pseudorotation
- Date: Thu, 8 Mar 2012 11:49:07 +0000
Hello all!
I'm trying to study a pseudorotation of a
substituted pyrrolidine ring using GAUSSIAN 03. Although literature exists on
the theme, I haven't come across any input example of it,so I'm trying
to compute it in a way that I dislike particulary, which is to set a plane made
of four atoms, and set one of the atoms off-plane, which is quite unrealistic. I
would ask if anyone could kindly tell me what is your way of computing
pseudorotation, and if you happen to have an 'automagic' way of doing
so, if you would be so kind as to share it.
Best,
Alcides