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Computational Replication of the Abnormal Secondary Kinetic Isotope Effects in a Hydride Transfer Reaction in Solution with a Motion Assisted H-Tunneling Model

[Image: see text] We recently reported abnormal secondary deuterium kinetic isotope effects (2° KIEs) for hydride transfer reactions from alcohols to carbocations in acetonitrile (Chem. Comm. 2012, 48, 11337). Experimental 2° KIE values were found to be inflated on the 9-C position in the xanthylium...

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Detalles Bibliográficos
Autores principales:	Kashefolgheta, Sadra, Razzaghi, Mortezaali, Hammann, Blake, Eilers, James, Roston, Daniel, Lu, Yun
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2014
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3985929/ https://www.ncbi.nlm.nih.gov/pubmed/24498946 http://dx.doi.org/10.1021/jo402650a

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