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Author(s):   Alvarez-Idaboy, J.R.; Diaz-Acosta, I.; Vivier-Bunge, A.
Title:   Energetics of mechanism of OH-propene reaction at low pressures in inert atmosphere
Journal:   J. Comput. Chem.
Volume:   19
Page(s):   811 - 819
Year:   1998
Reference type:   Journal article
Squib:   1998ALV/DIA811-819

Reaction:   C2H4 + ·OH → Products
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Comments:   MP2 calculations with full geometry optimization were performed with a double- and triple-zeta basis set to obtain the energy profile at low pressures.

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