Open Access
Table 4
Rotational, vibrational, and total partition functions of E- and Z-propanimine at various temperatures.
| E-Propanimine | Z-Propanimine | |||||
|---|---|---|---|---|---|---|
| T (K) | Q(T)rot | Q(T)vib | Q(T)tot | Q(T)rot | Q(T)vib | Q(T)tot |
| 300 | 42 349.806 | 5.980 | 253 245.391 | 42 855.317 | 6.044 | 259 007.986 |
| 225 | 27 551.665 | 3.404 | 93 776.339 | 27 884.838 | 3.432 | 95 699.098 |
| 150 | 14 977.978 | 1.955 | 29 275.249 | 15 160.670 | 1.964 | 29 772.002 |
| 75 | 5286.790 | 1.197 | 6328.685 | 5351.882 | 1.199 | 6414.655 |
| 37.5 | 1868.806 | 1.024 | 1913.176 | 1891.941 | 1.024 | 1937.409 |
| 18.75 | 661.513 | 1.001 | 661.863 | 669.721 | 1.001 | 670.084 |
| 9.375 | 234.625 | 1.000 | 234.625 | 237.536 | 1.000 | 237.536 |
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