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Table 5
Rotational, vibrational, and conformational partition functions for both cis and trans isomers of CPCA at different temperatures.
| Temperature/K | Qr (c)(a,b) | Qr (t) | Qv(c) | Qv(t) | Qc | X(t/c) |
|---|---|---|---|---|---|---|
| 350.000 | 82 331.3 | 86 128.5 | 7.3 | 6.8 | 0.83 | 1.83 |
| 300.000 | 65 822.4 | 69 359.9 | 4.8 | 4.5 | 0.81 | 1.81 |
| 225.000 | 42 979.0 | 45 656.3 | 2.8 | 2.6 | 0.75 | 1.75 |
| 150.000 | 23 411.5 | 24 951.4 | 1.7 | 1.6 | 0.66 | 1.66 |
| 75.000 | 8275.4 | 8823.1 | 1.1 | 1.1 | 0.43 | 1.43 |
| 37.500 | 2927.1 | 3120.7 | 1.0 | 1.0 | 0.18 | 1.18 |
| 18.750 | 1036.3 | 1104.6 | 1.0 | 1.0 | 0.03 | 1.03 |
| 9.375 | 367.5 | 391.5 | 1.0 | 1.0 | 0.00 | 1.00 |
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