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Fig. 5


Energy profile, in kcal/mol, for ion-molecule reaction NH2OH + HCONH2 in which water molecule was separated from ion once formed, 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).

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