| Minima for carnitine in water by AM1/COSMO | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| A | B | C | D | δHf | μ | F | % | Cont. δHf | Cont. μ | |
| g- | a | g- | a | -153.8 | 29.17 | 0.57 | 57.2 | -87.93 | 16.04 | |
| g- | g- | g- | s | -153.2 | 23.89 | 0.18 | 18.1 | -27.76 | 4.77 | |
| g- | g+ | g- | a | -152.7 | 23.69 | 0.09 | 8.77 | -13.39 | 2.03 | |
| g- | g- | g- | a | -152.3 | 23.15 | 0.04 | 3.97 | -6.04 | 1.01 | |
| g- | a | a | s | -152.2 | 27.87 | 0.04 | 3.77 | -5.74 | 1.03 | |
| a | a | g- | a | -152 | 27.88 | 0.03 | 2.51 | -3.82 | 0.73 | |
| g- | g- | g- | a | -151.9 | 24.04 | 0.02 | 2.27 | -3.45 | 0.54 | |
| g- | g- | a | s | -151.8 | 23.57 | 0.02 | 1.82 | -2.77 | 0.44 | |
| a | g+ | g- | a | -151.4 | 23.49 | 0.01 | 0.99 | -1.5 | 0.22 | |
| g- | g- | a | a | -151.2 | 23.15 | 0.01 | 0.61 | -0.92 | 0.16 | |
| -153.32 | 26.98 |