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Author(s):   Coote, M.L.; Collins, M.A.; Radom, L.
Title:   Calculation of accurate imaginary frequencies and tunnelling coefficients for hydrogen abstraction reactions using IRCmax
Journal:   Mol. Phys.
Volume:   101
Page(s):   1329 - 1338
Year:   2003
Reference type:   Journal article
Squib:   2003COO/COL1329-1338

Reaction:   CH3CN + ·CH3CH4 + CH2CN
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   The effect of theory on the imaginary frequency and tunneling coefficients is studied for a test set of abstraction reactions.

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