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. 2019 Aug 2;15:1856–1863. doi: 10.3762/bjoc.15.181

Table 3.

Energies of reaction (B3PW91-D3BJ, kJ mol−1

Entry Reactiona Energy

1 [KA'] + [CH4] → [(CH4)'] −11.9 (∆H°)
2 [KA'] + HSiMe3 → [(HSiMe3)KA'] −30.0 (∆H°)
3 [CsA'] + CH4 → [(CH4)CsA'] −3.9 (∆H°)
4 [CsA'] + HSiMe3 → [(HSiMe3)CsA'] −23.6 (∆H°)

aThe def2-TZVP basis set was used on all atoms.