title: Attractive noncovalent interactions in the mechanism of grubbs second-generation Ru catalysts for olefin metathesis.
abstract: Second-generation ruthenium carbenoid catalysts for olefin metathesis are a hundred to a thousand times more active than first-generation catalysts, despite a slower initiation step. A new density functional capable of treating medium-range correlation energy shows that the relative rates of generation of the catalyst are determined by attractive noncovalent interactions.
authors.affiliation: Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, MN 55455, USA.
authors.forename: Yan
authors.initials: Y
authors.lastname: Zhao
authors.forename: Donald G
authors.initials: DG
authors.lastname: Truhlar