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Computational study of the mechanism and product yields in the reaction systems C2H3 + CH3 (left and right arrow) C3H6 (left and right arrow) H + C3H5 and C2H3 + CH3 (right arrow) CH4 + C2H2

Authors :
Stoliarov, Stanislav I.
Knyazev, Vadium D.
Slagle, Irene R.
Source :
Journal of Physical Chemistry A. August 1, 2002, Vol. 106 Issue 30, 6952-6966
Publication Year :
2002

Abstract

Quantum chemical method is used to study the mechanism of the radical-radical reaction C2H3 + CH3 .The results of the study and the analysis of earlier experimental results demonstrate that the reaction of C2H3 + Ch3 proceeds through two distinctly different routes.

Details

Language :
English
ISSN :
10895639
Volume :
106
Issue :
30
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.123033018