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Fig. A.4


Energy profiles, in kcal/mol, for two pathways of neutral-neutral reaction NH2 OH + HCONH2 as obtained by CCSD(T)/aug-cc-pVTZ//MP2-aug-cc-pVTZ and MP2/aug-cc-pVTZ (in parenthesis) calculations. These values contain zero-point energies (ZPE). In the final step we report the energy of the cluster, the final product energy being reported in Table 1. Upper panel: Path A; lower panel: Path B.

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