- Author
-
Fabian, W. M. F.
|
Janoschek, R.
- Title
- Thermochemical Properties of Stable Intermediates and Derived Radicals for the Gas-Phase Formation of 1,3,6,8- and 1,3,7,9-tetrachlorodibenzo-p-dioxins from 2,4,6-trichlorophenol: A Computational G3MP2B3 Study.
- Coporate
- Karl-Franzens Universität, Institut für Chemie, Strassoldogasse 10, A-8010 Graz, Austria
- Journal
-
Combustion and Flame,
Vol. 145,
No. 1/2,
282-289,
April 2006
- Keywords
-
radicals
|
vapor phases
|
dioxins
|
thermochemical properties
|
thermochemistry
|
heat capacity
- Identifiers
- reaction paths; G3MP2B3 calculated thermochemical properties of energy minima of reaction; G3MP2B3 calculated enthalpies of formation, compared with estimates including semiempirical calculations