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. 2022 Dec 30;39(1):119–128. doi: 10.1021/acs.langmuir.2c02281

Figure 5.

Figure 5

APE from the Garcia-Muelas et al. 1,2PG and 1,3PG configurations calculated in this work’s environment. (A) illustrates the fully relaxed 1,2PG, while (B) illustrates the fully relaxed 1,3PG.