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This article has an erratum: [https://doi.org/10.1051/0004-6361/201935428e]


Table 4

Partition functions of N-methylformamide and acetamide.

CH3NHCHO CH3CONH2
T Qtr a Qv b Qtr a Qv b
(K)

10 365.16247 1.00000 359.18058 1.00000
20 1189.23944 1.00000 1272.66459 1.00000
30 2488.15240 1.00000 2766.98655 1.00000
40 4317.90735 1.00008 4871.11731 1.00009
50 6701.57116 1.00058 7590.48345 1.00058
60 9648.68076 1.00224 10 925.10798 1.00205
70 13 164.31826 1.00592 14 874.85986 1.00508
80 17 251.81144 1.01233 19 439.98556 1.01017
90 21 913.57312 1.02193 24 620.89439 1.01769
100 27 151.45535 1.03496 30 418.00805 1.02792
110 32 966.94532 1.05150 36 831.70759 1.04108
120 39 361.28161 1.07156 43 862.32239 1.05734
130 46 335.51849 1.09509 51 510.12815 1.07686
140 53 890.55428 1.12204 59 775.34167 1.09979
150 62 027.13560 1.15237 68 658.10939 1.12626
160 70 745.84645 1.18606 78 158.49050 1.15642
170 80 047.08923 1.22311 88 276.43644 1.19042
180 89 931.06287 1.26356 99 011.76908 1.22844
190 100 397.74181 1.30747 110 364.15950 1.27064
200 111 446.85817 1.35493 122 333.10876 1.31725
210 123 077.88845 1.40605 134 917.93177 1.36849
220 135 290.04535 1.46097 148 117.74490 1.42463
230 148 082.27451 1.51987 161 931.45737 1.48594
240 161 453.25592 1.58293 176 357.76649 1.55275
250 175 401.40932 1.65036 191 395.15645 1.62543
260 189 924.90280 1.72242 207 041.90022 1.70434
270 205 021.66401 1.79936 223 296.06409 1.78994
280 220 689.39314 1.88148 240 155.51446 1.88269
290 236 925.57717 1.96908 257 617.92629 1.98311
300 253 727.50471 2.06251 275 680.79287 2.09175
310 271 092.28113 2.16213 294 341.43638 2.20925
320 289 016.84348 2.26834 313 597.01910 2.33626
330 307 497.97493 2.38156 333 444.55472 2.47352

Notes.

(a)

Qtr is the torsional-rotational partition function. It does not take the hyperfine splitting into account.

(b)

Qv is the vibrational partition function. The total partition function of the molecule (without hyperfine splitting) is Qtr × Qv.

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