. 2020 Apr 27;22(12):4597–4601. doi: 10.1021/acs.orglett.0c01008

Table 1. Energy Data from ASM Analysis (in kcal/mol)^a.

energy component	anti-TS	syn-TS	ΔΔE^b
ΔE_dist(en)	2.9	1.0	1.9
ΔE_dist(MeI)	12.9	11.8	1.1
ΔE_int	–19.5	–18.6	–0.9
ΔE^⧧	–3.7	–5.8	2.1

Energy data are obtained form electronic energies computed at the ωB97X-D/Def2TZVPP level. en^TS and MeI^TS denote distorted structures of the reactants in the transition states.

Energy difference obtained from the previous two columns.

Table 1. Energy Data from ASM Analysis (in kcal/mol)a.

Table 1. Energy Data from ASM Analysis (in kcal/mol)^a.