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. Author manuscript; available in PMC: 2021 May 12.
Published in final edited form as: J Chem Theory Comput. 2020 Apr 27;16(5):3221–3239. doi: 10.1021/acs.jctc.0c00057

Figure 3.

Figure 3.

Interaction energies between imidazolium (IMIM) and acetate (ACET) with different interaction geometries of a) to f) using the QM (blue), Drude-2013 (red) and optimized Drude-2019 (black) model chemistries. Hydrogens are white, carbons (C) are green, nitrogens (N) are blue, and oxygens (O) are red. Distances, d(x…y) Å, are measured between the interacting atom x and y, where x is O and y is N or C.