Fig. 6
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Comparison of the total internal partition sums (Qtot) as a function of temperature for acetylene (C2H2), 13 CCH2, and C2HD. The solid blue line represents the results from this work, while the red dashed line shows the HITRAN values. The agreement between our calculations and HITRAN demonstrates the accuracy of our method across a wide temperature range (0–1000 K).
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