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Author(s):   Kornweitz, H.; Persky, A.
Title:   Quasiclassical trajectory calculations for the reactions F+HCl, F+HBr, and F+HI
Journal:   J. Phys. Chem. A
Volume:   108
Page(s):   140 - 145
Year:   2004
Reference type:   Journal article
Squib:   2004KOR/PER140-145

Reaction:   HBr + ·FHF + Br·
Reaction order:   2
Temperature:   298 K
Rate expression:   3.2x10-11 [cm3/molecule s]
Category:  Theory
Data type:   Other theoretical
Comments:   Calculations were carried out by the quasiclassical trajectory method across a LEPS potential energy surface. The results are discussed in comparison with available experimental results as well as with results of calculations from other research groups. The kinetic isotope effect and energy disposal of the reaction are computed.

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