Detail publikačního výsledku

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

Zeman, S., Friedl, Z.

Originální název

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

Anglický název

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

Druh

Kapitola, resp. kapitoly v odborné knize

Originální abstrakt

Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of ab initio DFT B3LYP/6-31G** 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.

Anglický abstrakt

Electronic charges q at nitrogen atoms of 15 nitramines were calculated by means of ab initio DFT B3LYP/6-31G** 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

Autoři

Zeman, S., Friedl, Z.

Vydáno

10.10.2003

Nakladatel

Science Press

Místo

Beijing/New York

ISBN

7-03-12202-X

Kniha

Theory and Practice of Energetic Materials

Edice

Part B

Strany od

710

Strany počet

9

Plný text v Digitální knihovně

http://hdl.handle.net/

BibTex

@inbook{BUT55478,
  author="Svatopluk {Zeman} and Zdeněk {Friedl}",
  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="2003",
  publisher="Science Press",
  address="Beijing/New York",
  series="Part B",
  pages="9",
  isbn="7-03-12202-X"
}