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. Author manuscript; available in PMC: 2020 Jul 25.
Published in final edited form as: Chemphyschem. 2019 Mar 5;20(6):815–822. doi: 10.1002/cphc.201801143

Table 3.

Lowest energy structures of ADMH adduct where R1=H and R2=H relative to the global minimum structure A in gas phase (kJ mol−1).

Structure Hydrogen Bond ΔE (kJ mol−1)
A N1─O7 0.00
B N1─O7 15.9
C N1─N5 11.5
D N1─O4 47.9