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Table 4

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

Temperature (K) Qr(a) Qv(b)
9.38 514.3036 1.0000
18.75 1451.3130 1.0003
37.50 4101.0172 1.0206
75.00 11598.5581 1.2410
150.00 32831.0285 2.6021
225.00 60373.8787 6.0802
300.00 93047.2540 14.1692

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

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