Publication detail
Characterization of C-NO2 Bonds in Nitroaromatic Compounds: A Bond Disproportionation Approach
PEXA, M. FRIEDL, Z.
Original Title
Characterization of C-NO2 Bonds in Nitroaromatic Compounds: A Bond Disproportionation Approach
Type
journal article - other
Language
English
Original Abstract
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.
Keywords
nitrobenzenes, nitrotoluenes, bond disproportionation energy, DFT calculations
Authors
PEXA, M.; FRIEDL, Z.
RIV year
2010
Released
20. 8. 2010
Publisher
Inst.Ind.Org.Chem.
Location
Warsaw, Poland
ISBN
1733-7178
Periodical
Central European Journal of Energetic Materials
Year of study
7
Number
2
State
Republic of Poland
Pages from
33
Pages to
46
Pages count
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"
}