Réactants |
| 1a | 1b | R2 | |
Atomes |
| P1 | P2 | C1 | C2 |
Mulliken |
|
|
| 0.352 | −0.245 |
| 0.358 | 0.218 |
|
| |
|
|
| 0.052 | −0.036 | |
| 0.060 | 0.040 |
|
| |
NPA |
|
|
| 0.358 | 0 |
| 0.092 | 0.121 |
|
| |
|
|
| 0.053 | 0.000 | |
| 0.015 | 0.021 |
|
|