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. 2021 Apr 2;154(13):134109. doi: 10.1063/5.0044385

TABLE III.

Comparison between experimental and predicted sublimation enthalpies at 298 K.

Method Source ΔHsub (kJ/mol)
Expt. Verevkin and Kozlova121 95.6 ± 0.6
Expt. Gonçalves et al.123 99.7 ± 0.4
B86bPBE-XDM This work 102.7