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Rationalization and innovative design of asymmetric organocatalysts through computational investigation

Creator:

Johnston, Ryne Connell

Abstract:

My work on computing complex catalyzed organic transformations reveals that only a few subtle chemical factors, e.g. non-classical hydrogen bonding, (hyper)conjugation and steric effects, common across different catalyst manifolds are critical for catalysis and selectivity. Rational manipulation and exploitation of these factors has led to improved catalyst designs, which has...

Resource Type:

Dissertation

Full Text:

- catalyzed Michael cascade reaction to complex furanyl/pyranyl products uncovered the synergistic