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Topic: FMO theory w.r.t. Pd-allyl complexes  (Read 4057 times)

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Offline movies

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FMO theory w.r.t. Pd-allyl complexes
« on: November 07, 2004, 04:36:49 PM »
Does anyone have a good idea of a frontier molecular orbital picture for the formation of a palladium allyl complex from palladium(0) and an allyl acetate?  I've seen various, similar mechanisms, but never a FMO treatment of the question.
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Offline Mitch

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Re:FMO theory w.r.t. Pd-allyl complexes
« Reply #1 on: November 07, 2004, 05:54:00 PM »
You can always run a spartan job on it.
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