Three new photoisomeric compounds: 1,3-diphenyl-4-benzal-5-pyrazolone 4-methylthiosemicarbazone (DPBP-MTSC), 1,3-diphenyl-4-(4′-methylbenzal)-5-pyrazolone 4-me
The N–NO2 bond dissociation energies (BDEs) for 7 energetic materials were computed by means of accurate density functional theory (B3LYP, B3PW91 and B3P86) wi