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. Author manuscript; available in PMC: 2018 Feb 7.
Published in final edited form as: J Chem Phys. 2017 Feb 7;146(5):054304. doi: 10.1063/1.4974993

Fig. 4.

Fig. 4

Values of B12 for H2 with CO at high temperatures, calculated with full consideration of flexibility and quantum effects with the PIMC approach, and compared with experimental data. The virials computed from the V15(r0) potential are not shown since they would be nearly indistinguishable from those computed from the Utot,15 potential.