Detail publikačního výsledku

Characterization of C-NO2 Bonds in Nitroaromatic Compounds: A Bond Disproportionation Approach

PEXA, M.; FRIEDL, Z.

Originální název

Characterization of C-NO2 Bonds in Nitroaromatic Compounds: A Bond Disproportionation Approach

Anglický název

Characterization of C-NO2 Bonds in Nitroaromatic Compounds: A Bond Disproportionation Approach

Druh

Článek recenzovaný mimo WoS a Scopus

Originální abstrakt

he bond dissociation and bond disproportionation approach was tested on series of polynitroaromatic compounds. The relationships between structure and iniciation mechanisms were scrutinized by DFT B3LYP/6-311+G(d,p) calculations.

Anglický abstrakt

he bond dissociation and bond disproportionation approach was tested on series of polynitroaromatic compounds. The relationships between structure and iniciation mechanisms were scrutinized by DFT B3LYP/6-311+G(d,p) calculations.

Klíčová slova

nitrobenzenes, nitrotoluenes, bond disproportionation energy, DFT calculations

Klíčová slova v angličtině

nitrobenzenes, nitrotoluenes, bond disproportionation energy, DFT calculations

Autoři

PEXA, M.; FRIEDL, Z.

Rok RIV

2011

Vydáno

20.08.2010

Nakladatel

Inst.Ind.Org.Chem.

Místo

Warsaw, Poland

ISSN

1733-7178

Periodikum

Central European Journal of Energetic Materials

Svazek

7

Číslo

2

Stát

Polská republika

Strany od

33

Strany do

46

Strany počet

14

BibTex

@article{BUT50100,
  author="Michal {Pexa} and Zdeněk {Friedl}",
  title="Characterization of C-NO2 Bonds in Nitroaromatic Compounds: A Bond Disproportionation Approach",
  journal="Central European Journal of Energetic Materials",
  year="2010",
  volume="7",
  number="2",
  pages="33--46",
  issn="1733-7178"
}