Table 2. Effects of alkene substitution on VCP 10 (UB3LYP/6-31G*, gas phase, 298 K, Spartan'10).

Entry	VCP	R1	R2	ΔG‡B3LYP	ΔΔG‡B3LYP a
1	10a	CN	H	23.2	–2.1
2	10b	CON(Me)OMe	H	24.4	–0.9
3	10c	CH2OH	H	25.1	–0.2
4	9j	CO 2 Me	H	25.3	0.0
5	10d	Me	H	25.5	0.2
6	10e	H	H	26.3	1.0
7	10f	H	CH2OH	28.5	3.2
8	10g	H	Me	29.7	4.4
9	10h	H	CN	29.7	4.4
10	10i	CO2Me	Me	28.3	3.0

^a ΔΔG‡B3LYP = (ΔG‡B3LYP10x) – (ΔG‡B3LYP9j).