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. 2022 Sep 2;28(62):e202202280. doi: 10.1002/chem.202202280

Figure 5.

Figure 5

Conformations C1C4 of EH3 and their relative Gibbs free energies in kJ mol−1 (B3LYP‐D3(BJ)/def2‐SVP, solvent CH2Cl2, PCM model).