Fig. 6

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Key D-substitution patterns for the energetically favored pathways leading to methanimine and methylamine from HNC and 1[HC:NH2]. Single deuterium substitutions are shown as color-coded H atoms. Bare values correspond to ZPE-corrected activation energies (in kJ mol−1 ; when present), and values in parentheses indicate the transition-state imaginary frequencies (|v‡|; in cm−1). Reaction steps without any activation energy value are barrier-less.
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