From: Kimberley Cousins (kcousins$##$csusb.edu)
Date: Sun Oct 31 1999 - 11:05:23 EST
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Kimberley Cousins
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California State University, San Bernardino
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On Fri, 29 Oct 1999, Uno [iso-8859-1] Mäeorg wrote:
>
>
> Hi colleagues,
>
> I recently started the calculations of IR spectral fequencies with TINKE=
R
> programm using MM3 method. The parameter set is from 1999.
> Unfortunately this set does not contain torsional parameters for
> HC(sp)C(sp)C(sp3) and C(sp3)C(sp)C(sp)C(sp3) type compounds,
> correspondingly 124-4-4-1 and 1-4-4-1 type of molecule.
>
> Can you tell me the source where more parameters for MM3 are available.
>
>
> Best regards
>
> Dr. Uno Maeorg
>
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