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Table 5

Rotational and vibrational partition functions of cis-trans n-PrCHO.

Temperature (K) Qr(a) Qv(b)
9.38 518.5813 1.0000
18.75 1464.0056 1.0020
37.50 4137.2687 1.0486
75.00 11698.8301 1.3624
150.00 33095.6561 3.1151
225.00 60821.5883 7.6557
300.00 93661.9204 18.3964

Notes. (a) Qr is the rotational contribution to the partition function. (b) Qv is the vibrational contribution to the function. The total partition function of the conformer is Qr × Qv.

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