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Accessibility information
Author(s):   Hatipoglu, A.; Cinar, Z.
Title:   A QSAR study on the kinetics of the reactions of aliphatic alcohols with the photogenerated hydroxyl radicals
Journal:   J. Mol. Struct. THEOCHEM
Volume:   631
Page(s):   189 - 207
Year:   2003
Reference type:   Journal article
Squib:   2003HAT/CIN189-207

Reaction:   C2H5OH + ·OHHOCH2CH2 + H2O
Reaction order:   2
Temperature:   298 K
Rate expression:   1.17x10-16 [cm3/molecule s]
Category:  Theory
Data type:   Transition state theory
Comments:   TST calculations based on quantum chemical study performed using the PM3 and SCF (RHF or UHF) methods.

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