AM1a | PM3a | |||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
AM1//AMBER* | AM1//AM1 | PM3//AMBER* | PM3//PM3 | |||||||||
gas | CHCl3 | H2O | gas | CHCl3 | H2O | gas | CHCl3 | H2O | gas | CHCl3 | H2O | |
1 | 3.7 | 4.0 | 5.3 | 4.0 | 2.0 | 2.5 | 4.6 | 5.8 | 7.6 | 0.2 | 3.8 | 2.1 |
2 | 1.8 | 4.7 | 5.1 | 0.0 | 0.8 | 0.2 | 2.4 | 6.6 | 7.7 | 0.3 | 6.9 | 4.3 |
3 | 9.3 | 9.4 | 11.5 | 6.7 | 4.7 | 5.9 | 8.5 | 9.2 | 11.5 | 2.6 | 5.7 | 4.4 |
4 | 1.7 | 1.4 | 4.7 | 0.4 | 2.1 | 0.3 | 2.8 | 2.8 | 6.1 | 2.0 | 4.4 | 4.1 |
5 | 1.4 | 1.9 | 2.2 | 4.1 | 2.5 | 1.8 | 1.3 | 2.1 | 2.4 | 1.4 | 4.6 | 1.3 |
6 | 0.0 | 0.0 | 0.0 | 3.1 | 0.9 | 0.0 | 0.0 | 0.0 | 0.0 | 1.2 | 3.7 | 0.0 |
7 | 2.8 | 0.3 | 4.3 | 4.7 | 0.0 | 3.2 | 3.8 | 1.4 | 5.4 | 0.0 | 0.0 | 0.4 |