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 language | English |
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Pages (from-to) | 3200-3206 |
Number of pages | 6 |
Journal | Organometallics |
Volume | 24 |
DOIs | |
Publication status | Published - 2005 |