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Quantum Mechanical Investigation of the Effect of Catalyst Fluorination in the Intermolecular Asymmetric Stetter Reaction

The asymmetric intermolecular Stetter reaction was investigated using the B3LYP and M06-2X functionals. Fluorination of a triazolium bicyclic catalyst had been found to significantly influence reaction yields and enantiomeric ratios. Computations indicate that the improved reactivity of the fluorina...

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Bibliografski detalji
Glavni autori: Um, Joann M., DiRocco, Daniel A., Noey, Elizabeth L., Rovi, Tomislav, Houk, K. N.
Format: Artigo
Jezik:Inglês
Izdano: 2011
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3143204/
https://ncbi.nlm.nih.gov/pubmed/21675770
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja202444g
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