The study of chemical micromechanism govering detonation initiation of some m-dinitrobenzopolyazaarenes

článek v časopise - ostatní, Jost

angličtina

Electronic q at nitrogen atoms of twelve m-dinitrobenzopolyazaarenes were calculated by means of ab-initio HF/6-31G** and semiempirical AM1 methods. The relationships have been confirmed between squares of the detonation velocities and/or detonation heats of the azaarenes and q values for primarily split off nitro groups.

m-dinitrobenzopolyazaarenes, ab initio charges, detonation velocity, heat of detonation

atomic N charges, detonation initiation, ab-initio calculation, m-dinitrobenzopolyazaarenes

Zeman, S., Huczala, R., Friedl, Z.

2002

1. 1. 2002

0737-0652

Journal of Energetic Materials

20

2

Spojené státy americké

53

59

7