Table 4.
Quantum chemical parameters of thiourea (CS(NH2)2).
| Inhibitor | EHOMO (eV) | ELOMO (eV) | ∆E (eV) | µ(Debye) |
|---|---|---|---|---|
| CH4N2S | −8.618442 | −0.270586 | 8.347855 | 6.266 |
| Mg | −7.661 | 1.717 | 9.378 | 1.310 |
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