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Table B.3
Partition function values of C2H5NCO computed at different temperatures.
| T (K) | Qrot a | Qvib b | Qvibrot c |
|---|---|---|---|
| 300.000 | 83423.9162 | 9.96669 | 831460.1637 |
| 225.000 | 54116.8299 | 7.38116 | 399445.2080 |
| 150.000 | 29365.9661 | 4.54674 | 133519.4629 |
| 75.000 | 10348.8360 | 2.07522 | 21476.0934 |
| 37.500 | 3655.0733 | 1.28668 | 4702.9099 |
| 18.750 | 1292.7145 | 1.04879 | 1355.7917 |
| 9.375 | 457.8892 | 1.00216 | 458.8790 |
| 5.000 | 179.0092 | 1.00001 | 179.0110 |
| 2.725 | 72.5214 | 1.00000 | 72.5214 |
Notes. (a) Computed with SPCAT. (b) Computed using Eq. (B.3). (c)Obtained as the product of Qrot and Qvib.
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