I do not know how to answer this query but I do find something quite
interesting in the use of the word 'automagic.' This could be a
delightful word if deliberately used, even if simply a typo.. Either
way it is a delightful coinage of a very useful word.
John McKelvey
On Thu, Mar 8, 2012 at 6:49 AM, Alcides Simao alsimao^^^gmail.com
<http://gmail.com>
<owner-chemistry%%ccl.net
<mailto: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
--
John McKelvey
10819 Middleford Pl
Ft Wayne, IN 46818
260-489-2160
jmmckel%%gmail.com <mailto:jmmckel%%gmail.com>