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. Author manuscript; available in PMC: 2019 Feb 13.
Published in final edited form as: J Chem Theory Comput. 2018 Jan 31;14(2):1083–1098. doi: 10.1021/acs.jctc.7b01086

Figure 2.

Figure 2

Structures of target-set of halogenated molecules under parametrization. a. Halogenated ethanes. b. Halogenated benzenes. See Table S1 for molecule names and abbreviations.