Detail publikace

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

Originální název

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

Typ

kapitola v knize

Jazyk

angličtina

Originální abstrakt

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.

Klíčová slova v angličtině

electronic charges, nitro groups, sensitivities, nitramines

Vydáno

10. 10. 2004

Nakladatel

Science Press

Místo

Beijing/New York

Strany od

710

Strany do

718

Strany počet

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"
}