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Author(s):   Good, D.A.; Hansen, J.; Kamoboures, M.; Santiono, R.; Francisco, J.S.
Title:   An Experimental and Computational Study of the Kinetics and Mechanism of the Reaction of Methyl Formate with Cl Atoms
Journal:   J. Phys. Chem. A
Volume:   104
Page(s):   1505 - 1511
Year:   2000
Reference type:   Journal article
Squib:   2000GOO/HAN1505-1511

Reaction:   HC(O)OCH3 + ·ClHCl + CH3C(O)O
Reaction order:   2
Temperature:   298 K
Rate expression:   2.5x10-12 [cm3/molecule s]
Category:  Theory
Data type:   Transition state theory
Comments:   Energies of transition state structures were determined at the QCISD(T)/6-311++G(2d,2p) level using optimized geometries found by MP2/6-311++G(2d,2p) calculations. No tunneling corrections are applied.

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