Publication detail

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

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

Original Title

Type

journal article - other

Language

English

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.

Keywords

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

Key words in English

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

Authors

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

RIV year

2002

Released

1. 1. 2002

ISBN

0737-0652

Periodical

Journal of Energetic Materials

Year of study

Number

State

United States of America

Pages from

Pages to

Pages count

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",
  pages="7",
  issn="0737-0652"
}