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"
}