Publication detail

Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines

Original Title

Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines

Type

book chapter

Language

English

Original Abstract

Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of ab initio DFT B3LYP/6-31G(d,p) method. The relationships have been confirmed between initiation characteristics of the nitramine and q values for primarily split off nitro groups. These relationships directly specify the most reactive nitro groups of corresponding molecules in their initiation and detonation.

Key words in English

electronic charges, nitro groups, sensitivities, nitramines

Released

10. 10. 2004

Publisher

Science Press

Location

Beijing/New York

Pages from

710

Pages to

718

Pages count

9

BibTex

@inbook{BUT55477,
  title="Electronic charges at Nitrogen Atoms of Primarily Split Off Nitro Groups Versus Sensitivities of Some Nitramines",
  booktitle="Theory and Practice of Energetic Materials",
  year="2004",
  publisher="Science Press",
  address="Beijing/New York",
  series="Part B",
  pages="9"
}