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The calculated values of dipole moment (Debye), transition metal charge (Qm, e), and charge transfer (Qt, e) for all the studied systems.
| System | DM | QM | Qt |
|---|---|---|---|
| C19Ti | 15.31 | +1.855 | – |
| C19Ti-F | 24.78 | +1.373 | 0.359 |
| C19Cr | 9.61 | +1.325 | – |
| C19Cr-F | 21.37 | +0.933 | 0.310 |
| C19Fe | 10.09 | +1.170 | – |
| C19Fe-F | 16.70 | +0.858 | 0.266 |
| C19Ni | 7.56 | +1.091 | – |
| C19Ni-F | 16.58 | +0.777 | 0.329 |
| C19Zn | 7.62 | +1.385 | – |
| C19-Zn-F | 13.57 | +1.103 | 0.167 |
