Browsing Public Research Data by Author "Proctor, Rupert S. J."

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DFT data for "Hydrogen Atom Transfer-Driven Enantioselective Minisci Reaction of Alcohols"

Ermanis, Kristaps; Phipps, Robert J. (The University of Nottingham, 2021-11-26)

This dataset contains Gaussian DFT output files of the key ground-states and transition state DFT optimized structures for the results reported in the paper "Hydrogen Atom Transfer-Driven Enantioselective Minisci Reaction ...