Publication detail

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

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

Czech title

Studium chemického mikromechanismu určujícím iniciaci detonace některých m-dinitrobenzopolyazaarenů

English title

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

Type

journal article - other

Language

en

Original abstract

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.

Czech abstract

AM1 a ab initio HF/6-31G** náboje na atomu primárně se štěpícího dusíku dvanácti m-dinitrobenzopolyazaarenů byly korelovány se čtvercem detonační rychlosti a detonačním teplem.

English abstract

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.

Keywords in English

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

RIV year

2002

Released

01.01.2002

ISSN

0737-0652

Journal

Journal of Energetic Materials

Volume

20

Number

2

Pages count

7

BIBTEX


@article{BUT41281,
  author="Svatopluk {Zeman} and Radim {Huczala} and Zdeněk {Friedl},
  title="The study of chemical micromechanism govering detonation initiation of some m-dinitrobenzopolyazaarenes",
  journal="Journal of Energetic Materials",
  year="2002",
  volume="20",
  number="2",
  month="January",
  issn="0737-0652"
}