. 2017 Oct 20;2(10):7029–7038. doi: 10.1021/acsomega.7b00907

Table 4. Relative Gibbs Free Energies (kcal/mol) of Transition States 3^DBU, 3^2,6-lutidine, and 3^DMAP.

	energy (kcal/mol)
3^DBU	24.4^a
3^2,6-lutidine	46.3^b
3^DMAP	26.9^b

The energy barrier was calculated at the M06-2X-D3/6-311++G(2df, 2pd)/IEF-PCM_chloroform//M06-2X/6-31G(d, p)/IEF-PCM_chloroform level of theory.

The energy barriers were calculated at the M06-2X-D3/6-311++G(2df, 2pd)/IEF-PCM_{dichloromethane}//M06-2X/6-31G(d, p)/IEF-PCM_{dichloromethane} level of theory.

Table 4. Relative Gibbs Free Energies (kcal/mol) of Transition States 3DBU, 32,6-lutidine, and 3DMAP.

Table 4. Relative Gibbs Free Energies (kcal/mol) of Transition States 3^DBU, 3^2,6-lutidine, and 3^DMAP.