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. 2015 Dec 11;6(1):442–446. doi: 10.1021/acscatal.5b02742

Scheme 4. Calculated Reaction Profile for Both Diastereomeric Approaches (Re and Si) of the Boryl Cupration at the B3LYP/6-31G(d) (C,H,B,O,P) LANL2DZ (Cu) Level.

Scheme 4

ΔG values are represented in kcal mol–1, considering IS as 0.0.