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. Author manuscript; available in PMC: 2022 Mar 9.
Published in final edited form as: J Chem Theory Comput. 2021 Feb 23;17(3):1581–1595. doi: 10.1021/acs.jctc.0c01327

Figure 3.

Figure 3.

Dihedral fittings for the C-O-C-C and O-C-C-O dihedrals. The chemical structure of DEOE and the positions of the two dihedrals (green) are shown on the upper left of each panel. All dihedrals not used for the scan are fixed at 180°.