Figure 3.
(a) Optimized configurations of intermediates. (b) Calculated free energy diagram of ZZU-361, ZZU-362, and ZZU-363 reacting with HNO3 molecule at 298 K.
(a) Optimized configurations of intermediates. (b) Calculated free energy diagram of ZZU-361, ZZU-362, and ZZU-363 reacting with HNO3 molecule at 298 K.