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Author(s):   Vereecken, L.; Nguyen, T.L.; Hermans, I.; Peeters, J.
Title:   Computational study of the stability of alpha-hydroperoxyl-alpha-alkylperoxyl substituted alkyl radicals
Journal:   Chem. Phys. Lett.
Volume:   393
Page(s):   432 - 436
Year:   2004
Reference type:   Journal article
Squib:   2004VER/NGU432-436

Reaction:   CH3CH3COOCH3(CH3)2CO + (·)CH2OH
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Results too complex to abstract B3LYP-DFT, BH&H-DFT + single point high-level CCSD(T)/cc-pVDZ, no significant barriers found to reaction, R1, R2, R3 = H and CH3

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