Table 2. Relative energies of the conformers of (R)-MPD from QC calculations.

Conformer	E (kJmol1) in vacuo	E (kJmol1) in water (PCM†)
1a	0.00	0.00
3a	12.41	14.93
2a	13.86	15.17
3c	14.46	15.91
3b	17.40	17.46
1b	19.53	19.40
2b	23.19	20.74
1c	23.45	24.48
2c	27.77	27.40

^†PCM: polarizable continuum model.