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Table 7

Rotational and vibrational partition functions of gauche i-PrCHO.

Temperature (K) Qr(a) Qv(b)
9.38 507.7789 1.0000
18.75 1432.7594 1.0007
37.50 4048.2084 1.0277
75.00 11337.6188 1.2408
150.00 32395.4138 2.5019
225.00 59557.2187 5.8979
300.00 91764.5821 14.1391

Notes. (a)Qr is the rotational contribution to the partition function. We took J = 150 as the maximum value. (b)Qv is the vibrational partition function. The total partition function of the conformer is the following product: Qr × Qv.

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