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Table 2
Total dipole moment for the species considered in our model.
| Species | Total dipole moment (Debye) | Species | Total dipole moment (Debye) | Species | Total dipole moment (Debye) |
|---|---|---|---|---|---|
| Si-related | Na-related | Mg-related | |||
| SiH | 0.091 | NaH | 6.022 | MgH | 1.342 |
| SiO | 3.091 | NaO | 8.052 | MgO | 6.041 |
| SiC | 1.71 | NaC | 7.482 | MgC | 0.672 |
| SiN | 2.561 | NaN | 6.352 | MgN | 2.52 |
| SiH2 | 0.181 | NaS | 8.452 | MgH2 | 02 |
| SiH3 | 0.012 | NaCl | 9.001 | MgOH | 1.41 |
| SiH4 | 01 | NaOH | 6.662 | MgCN | 5.31 |
| SiOH | 1.542 | NaCN | 8.851 | MgNC | 5.221 |
| SiCN | 3.142 | NaNC | 10.92 | MgS | 7.662 |
| SiNC | 2.001 | NaC2H | 7.652 | MgC2 | 7.91 |
| SiS | 1.741 | NaC4H | 9.182 | MgC2H | 1.68 1 |
| HCSi | 0.072 | HMgNC | 3.491 | ||
| SiCH2 | 0.181 | MgC4H | 2.121 | ||
| SiCH3 | 0.651 | MgC3N | 6.381 | ||
| HNSi | 0.251 | MgC6H | 2.51 | ||
| HSiO | 3.391 | MgC5N | 7.31 | ||
| H2SiO | 3.821 | MgC8H | 2.91 | ||
| SiC2 | 2.391 | MgC7N | 8.3 1 | ||
| SiC2H | 1.41 | ||||
| SiC2H2 | 0.921 | ||||
| SiO2 | 0.51 | ||||
| HSiS | 2.061 | ||||
| H2SiS | 2.671 | ||||
| SiC3 | 4.91 | ||||
| SiC3H | 0.771 | ||||
| SiC4 | 6.421 | ||||
| SiCN | 3.141 | ||||
| Fe-related | K-related | Al-related | |||
| FeH | 2.732 | KH | 7.552 | AlH | 0.191 |
| FeO | 4.081 | KCl | 10.582 | AlO | 4.391 |
| FeC | 2.712 | KCN | 12.392 | AlOH | 1.041 |
| FeN | 3.92 | AlCl | 1.631 | ||
| FeS | 5.682 | AlCN | 3.741 | ||
| FeOH | 2.712 | AlF | 1.441 | ||
| AlNC | 3.311 | ||||
Notes. 1 Millar et al. (2024), 2 This work considering DFT-B3LYP/6-311+G(d,p) level of theory.
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