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Mulliken atomic charges for the corrosion inhibitor.
| |||||||
|---|---|---|---|---|---|---|---|
| Atoms | Charges | Atoms | Charges | Atoms | Charges | Atoms | Charges |
| N(1) | − 0.2749 | C(5) | − 0.1057 | C(9) | − 0.0798 | C(13) | 0.1780 |
| N(2) | 0.0219 | C(6) | − 0.1300 | C(10) | − 0.1700 | S(14) | − 0.2697 |
| N(3) | − 0.3344 | C(7) | − 0.0661 | C(11) | 0.0867 | N(15) | − 0.3517 |
| C(4) | 0.3640 | C(8) | − 0.1637 | O(12) | − 0.2946 | H(16) | 0.2599 |
