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. 2023 May 22;19(20):6933–6991. doi: 10.1021/acs.jctc.3c00182

Figure 22.

Figure 22

PESs around the MECI of pyramidalized ethylene optimized with (A) MS-, (B) XMS-, (C) XDW-, and (D) RMS-CASPT2 methods. Reprinted with permission from ref (401). Copyright 2022 American Chemical Society.