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High-accuracy extrapolated ab initio thermochemistry of vinyl chloride

Authors :
Harding, Michael E.
Gauss, Jurgen
Pfluger, Klaus
Werner, Hans-Joachim
Source :
Journal of Physical Chemistry A. Dec 27, 2007, Vol. 111 Issue 51, 13623-13628
Publication Year :
2007

Abstract

High accuracy extrapolated ab initio thermochemistry (HEAT) scheme is used for studying the standard heat of formation of vinyl chloride. The enthalpies of the reactions [C.sub.2][H.sub.4] + [Cl.sub.2] -> C[H.sub.2]CHCl + HCl and [C.sub.2][H.sub.2] + HCl -> C[H.sub.2]CHCl are obtained.

Details

Language :
English
ISSN :
10895639
Volume :
111
Issue :
51
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.173264860