On Thu, Mar 8, 2012 at 6:49
AM, Alcides Simao alsimao^^^
gmail.com <owner-chemistry()ccl.net> wrote:
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