Open Access
Table 2
Computed relative stabilities with respect to the minimum energy isomer in each series ΔE (kcal mol−1), dipole moments μ (Debye), and adsorption energies EAds of oxirane and derivatives (kcal mol−1) on water ice.
| Isomer | Structure | ΔE | μ | EAds |
|---|---|---|---|---|
| Oxirane |  |
27.5 | 1.9 | 8.0 |
| Propylene oxide |  |
29.9 | 2.0 | 10.6 |
| Hydroxyoxirane |  |
47.2 | 1.6 | 19.7 |
| Cyanooxirane |  |
27.6 | 3.8 | 10.7 |
| Aminooxirane |  |
47.6 | 1.0 | 15.4 |
| Ethynyloxirane |  |
54.5 | 1.8 | 12.8 |
| Formyloxirane |  |
40.7 | 2.6 | 16.4 |
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