| Fukui Indices for Electrophilic Attack (Fukui ( )) | |||||||
| Molecule | Slab (001) | Slab (010) | Slab (100) | ||||
| atom |
| atom |
| atom |
| atom |
|
| C2 | 0.080 | C2 | 0.017 | C4 | 0.028 | N1 | 0.014 |
| N1 | 0.079 | Cl1 | 0.016 | N1 | 0.023 | C2 | 0.014 |
| C4 | 0.078 | C4 | 0.014 | C2 | 0.022 | C4 | 0.014 |
| O3 | 0.055 | N1 | 0.013 | O3 | 0.021 | Cl1 | 0.010 |
| O1 | 0.054 | O1 | 0.012 | Cl2 | 0.017 | O3 | 0.007 |
| C1 | 0.039 | Cl2 | 0.010 | Cl1 | 0.015 | C9 | 0.007 |