Hello all!
I was just wondering if anyone here has developed or knows a reference
where such a thing like a C=C=C bending parameters were developed. I don't
need this kind of parameter, but I have a system where part of the
equilibrium angles are of about 180 deg., and I don't know what kind of
approach can I do. Does anybody here develped it before, or knows any
reference where I can find the parametrization of the bending of this wide
angle?
Really thanks for anything.
Sincerally yours,
Jones
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* Jones de Andrade *
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* Theoretical Chemistry Group * Grupo de Quimica Teorica *
*
http://www.iq.ufrgs.br/theochem.html *
* Institute of Chemistry * Instituto de Quimica *
*
http://www.iq.ufrgs.br/ *
* Universidade Federal do Rio Grande do Sul *
*
http://www.ufrgs.br/ *
* Brasil *
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* E-mail:johannes_at_iq.ufrgs.br *
* ICQ UIN: 17929775 *
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* "We turn molecules into numbers, *
* and numbers into molecules..." *
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Instituto de Quimica - UFRGS
http://www.iq.ufrgs.br/
Received on Sun Jun 09 2002 - 13:55:33 PDT
