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This article has an erratum: [https://doi.org/10.1051/0004-6361/202452565e]


Fig. A.1

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All new calculated conformers and isomers at B3LYP/6-311+G(d,p) level, normalised to the 1-NH2CHCO minimum. Conformers of the same isomer are grouped in the same box. Each box is colour-coded according to the minimum energy of the relative conformer. From the most to the least favourable isomer, normalised colour scale ranges from violet to yellow, respectively. SP (saddle point) and TS (transition state) are both highlighted by lighter-coloured boxes. The average value of the isomer’s conformers, which does not include TS and SP, and the values of each conformer are reported with the grey dotted line and the black solid line, respectively. The numerical value of the latter is also given.

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