From owner-chemistry@ccl.net Thu Mar 8 19:18:00 2012 From: "Daniel Fernando Coimbra danielfcoimbra_+_gmail.com" To: CCL Subject: CCL:G: Ring pseudorotation Message-Id: <-46447-120308142523-13342-FjCsXO60OQbd2Qvc1cO8Jg-.-server.ccl.net> X-Original-From: Daniel Fernando Coimbra Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Thu, 08 Mar 2012 16:26:13 -0300 MIME-Version: 1.0 Sent to CCL by: Daniel Fernando Coimbra [danielfcoimbra*|*gmail.com] As far as I know this term was first used by the authors of the (now discontinued) brazillian Linux distribution Kurumin. They created sets of BASH scripts that automated lots of installation proccess so that a novice user could configure non-trivial hardware with just a click on a menu item. There were said to so "automagicamente" (automagically), as it looked even easyer than simpler automatic task available at the time. Em 08-03-2012 11:40, John McKelvey jmmckel%%gmail.com escreveu: > 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 > > 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 -- Daniel Fernando Coimbra Grupo de Estrutura Eletrônica Molecular Departamento de Química Universidade Federal de Santa Catarina