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. 2024 May 31;89(12):8789–8803. doi: 10.1021/acs.joc.4c00670

Table 2. Conformational Profile of Pentane (A), 12 (B), and 13 (C) (M05-2X/6-311+G**)a,b.

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a

Dihedral angles refer to rotation along the central CC–CC bonds.

b

Only the most relevant conformers shown (full data: see Figures S1, S2, and Table S1).