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AM1 |
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"It was almost like a homeport change because you are
basically going to a base where they aren't quite set up to
accommodate you," said AM1 Richard Peterson. The
lowest energy conformer obtained in this way was subjected to further
geometry optimization using the AM1 method (Dewer et al. Recent studies using MOPAC AM1 semiempirical quantum mechanical
calculations and CODESSA QSAR software yield excellent correlations of
molecular descriptors to onset of cure and maximum rate of vulcanization
(ref. |
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