Table 3. Relative Helmholtz free energies of the conformers of (R)-MPD from MD simulations.

Conformer	F (kJmol1), 300K	F (kJ mol1), 370K
1a	0.00	0.00
2a	5.93	3.41
3b	7.55	5.89
3a	7.92	6.46
2b	7.99	5.73
1b	8.75	8.16
1c	20.07	18.88
2c	†	17.54
3c	†	18.45

^†Conformer not observed.