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. 2020 Oct 23;25(21):4908. doi: 10.3390/molecules25214908

Figure 5.

Figure 5

B3LYP/6-311++G(d,p) calculated potential energy profiles for internal rotation about the exocyclic C-C (for cis and trans arrangement of the carboxylic group) (top left and top right panels) and about the C-O bond (connecting the two pairs of conformers, cis-II/trans-II and cis-I/trans-I; bottom left and bottom right panels) for 2-chlorobenzoic acid.