Investigation into the performance characteristics of N,N'-bonded bis-triazole derivatives.

CONTEXT: Substituents including -NH2, -NO2, -NHNO2, and -CH(NO2)2 were introduced into the N,N'-linked bis-triazole scaffold to design 72 derivatives. Density functional theory (DFT) calculations at the B3LYP/6-311+G(d, p) level were performed using…

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