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. 2020 Nov 26;27(1):401–411. doi: 10.1002/chem.202003862

Scheme 4.

Scheme 4

Full energy profile for the hydrogenation of PhC(H)=NtBu with the anion AlH4 (B3PW91/6–311++G**(PCM=THF)//6–31+G**); ΔH in kcal mol−1.