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Fig. 1
Energy profile, in kcal/mol, for the isomerization of [C2, H4, N, O]+ isomers. Relative energies (including zero-point vibrational energies differences) are calculated respect to c-CH2NHC-OH+-t (panel a)) and trans-NHCHCHOH+ (panel b)) at the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVTZ level.
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