| Minima for acetylcarnitine in water by AM1/COSMO | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| A | B | C | D | E | δHf | μ | F | % | Cont. δHf | Cont. μ |
| g- | g- | a | g- | s | -191.8 | 26.67 | 0.41 | 40.73 | -78.11 | 11.22 |
| g- | a | a | a | s | -191.7 | 29.90 | 0.37 | 37.43 | -71.77 | 10.62 |
| g+ | a | g+ | a | s | -190.8 | 28.67 | 0.07 | 7.40 | -14.11 | 2.23 |
| a | a | g+ | s | s | -190.6 | 26.35 | 0.06 | 5.74 | -10.95 | 1.46 |
| g- | g+ | a | g- | s | -190 | 24.93 | 0.02 | 1.88 | -3.58 | 0.50 |
| g- | a | g- | a | s | -190 | 28.34 | 0.02 | 1.88 | -3.58 | 0.57 |
| g- | g- | g- | g- | s | -189.9 | 25.42 | 0.02 | 1.62 | -3.07 | 0.43 |
| a | a | g- | a | s | -189.7 | 26.52 | 0.01 | 1.14 | -2.15 | 0.32 |
| g- | g- | g- | a | s | -189.2 | 25.65 | 0.01 | 0.54 | -1.02 | 0.13 |
| a | g- | g+ | g- | s | -189.2 | 22.03 | 0.01 | 0.50 | -0.95 | 0.12 |
| g+ | g- | a | g- | s | -188.9 | 23.99 | 0.00 | 0.34 | 0.64 | 0.08 |
| a | g- | g+ | a | s | -188.9 | 21.55 | 0.00 | 0.31 | -0.59 | 0.07 |
| g- | g- | g- | a | s | -188.7 | 24.92 | 0.00 | 0.24 | -0.45 | 0.06 |
| a | g+ | a | g- | s | -188.4 | 24.57 | 0.00 | 0.13 | -0.24 | 0.03 |
| g- | g- | a | a | a | -188.3 | 21.55 | 0.00 | 0.12 | -0.22 | 0.02 |
| -191.44 | 27.86 |