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Filtering by: Creator Wilcox, Bert Guy Academic Affiliation Chemistry License All rights reserved

Computational Rationalizations of Mechanism and Stereocontrol in Small-Molecule Lewis Base Organocatalysis

Creator:

McCauley-Walden, Daniel W.

Abstract:

My work has focused on investigating synthetic organic reactions using applied computational methods. Non-covalent interactions are critical to catalysis, mechanism, and stereoselectivity, with the most prominent interaction for isothioureas being the S···O contact between the catalyst sulfur atom and the oxygen of the acyl group. A comprehensive joint experimental and...

Resource Type:

Dissertation

Full Text:

Ryne C. Johnston also contributed to computations. Paul H.-Y. Cheong, Guy C. Lloyd-Jones, and Andrew