The asymmetric Schrock olefin metathesis catalysts. A computational study

T.P.M. Goumans, A.W. Ehlers, K. Lammertsma

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

The mechanism of the transition metal catalyzed olefin metathesis reaction with the Schrock catalyst is investigated with pure (BP86) and hybrid (B3LYP) density functional theory. On the free-energy surface there is no adduct between ethylene and model catalyst (MeO)
Original languageEnglish
Pages (from-to)3200-3206
Number of pages6
JournalOrganometallics
Volume24
DOIs
Publication statusPublished - 2005

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