Now showing items 1-2 of 2
trans-Mutation at Gold(III): A mechanistic study of a catalytic acetylene functionalization via a double insertion pathway
(Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
The Au(III) complex Au(tpy)(OAcF)2 (OAcF = OCOCF3; tpy = 2-(p-tolyl)pyridine) catalyzes the anti addition of trifluoroacetic acid (HOAcF) to acetylene to furnish vinyl trifluoroacetate. The Au(III) vinyl complex ...
Quantum chemical modeling of the reaction path of chorismate mutase based on the experimental substrate/product complex
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Chorismate mutase is a well‐known model enzyme, catalyzing the Claisen rearrangement of chorismate to prephenate. Recent high‐resolution crystal structures along the reaction coordinate of this enzyme enabled computational ...