Modeling of Ru and Fe based olefin metathesis Michael T. Feldmann Richard P. Muller William A. Goddard, III Materials and Process Simulation Center, Caltech

3/17/99


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Modeling of Ru and Fe based olefin metathesis Michael T. Feldmann Richard P. Muller William A. Goddard, III Materials and Process Simulation Center, Caltech

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Scheme 1: L-dissociation

Scheme 2: olefin-association

Scheme 2b: olefin-association

Reaction pathway (Ru: X=Cl, L=PH3)

Reaction pathway (b) (Ru: X=Cl, L=PH3)

Ru catalyst: X=Cl L=

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Conclusions

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Author: Richard P. Muller

Email: feldmann@wag.caltech.edu

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