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. 2023 Sep 22;63(19):6014–6028. doi: 10.1021/acs.jcim.3c00800

Figure 14.

Figure 14

Comparison of the experimental density (left) and heat of vaporization (right) values of 123 organic liquids37 with the calculated values using OpenFF-2.0.0 with the default AM1-BCC charges (blue) and the DASH partial charges (green).