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Table 2.
Rotational, vibrational and conformational partition functions for succinonitrile together with the abundance fraction of the gauche conformer (Xg) at different temperatures.
| Temperature/K | Qr | Qv | Qc | Xg(a) |
|---|---|---|---|---|
| 300.000 | 146 147.3 | 15.4 | 1.20 | 0.20 |
| 225.000 | 99 421.3 | 6.5 | 1.12 | 0.12 |
| 150.000 | 55 436.2 | 2.8 | 1.04 | 0.04 |
| 75.000 | 19 659.0 | 1.3 | 1.00 | 1.69 × 10−3 |
| 37.500 | 6945.8 | 1.1 | 1.00 | 2.88 × 10−6 |
| 18.750 | 2456.3 | 1.0 | 1.00 | 8.32 × 10−12 |
| 9.375 | 869.6 | 1.0 | 1.00 | 6.92 × 10−23 |
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