Subject: sparkles atoms in Mopac

From: "Fransisco Carlos Lavarda" <[email-masked]>
Date: Wed, 15 Nov 1995 10:50:29 -0500

Dear CCL'ers:

  I'm studying some charge transfer complexes using Mopac.
  As a first step, I'm tryng to simulate a complete charge transfer between 
the main molecule and the counterion, using a sparkles atom provided in Mopac 
package.
  The question is that I was unable to get a minimum energy geometry IF the 
sparkles coordinates are set to be free.
  I looked for some information in Mopac Manual, but I couldn't find anything 
related to this topic.

  If somebody has a hint on this question, I would appreciate very much to know 
about. I'll summarize all the answers. So, if there are people interested in the 
responses, please send me an e-mail.

Thanks to everybody.

Francisco Lavarda.

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Francisco Carlos Lavarda
Quantum Theory Project - University of Florida
375 Williamson Hall
PO Box 118435
Gainesville FL 32611-8435 USA
tel.: (904)392-6973
PERMANENT ADDRESS:
Departamento de Fisica - UNESP/Bauru
C.P. 473
Bauru SP 17000 BRASIL
tel.:(142)302111 136
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