Unusual thermostable and insensitive high-energy compounds which contain dioximes with donor–acceptor H-bond sites, were synthesized from glyoxal (40% in water) straightforward steps.

Tetrazoles are well known for their high positive enthalpy of formation which makes them attractive as propellants, explosives, and energetic materials. As a step towards deeper understanding the stability benziodazolotetrazole (BIAT)-based materials compared to benziodoxole (BIO) counterparts, we investigated in this work electronic structure features bonding properties two monovalent iodine p...

the present work reports the detailed b3lyp/6-311++g(d,p) study of most stable transand cisconfigurations photoisomerization in the core system of computational photochemistry-the 5,5'-disubstituted-1,1'-azobis (tetrazole) molecules. all computations were carried out in gas phase attemperature 293.15 k and pressure 1 atm. firstly; the potential energy surface (pes) of the groundstate ...