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Author(s):   Peterson, S.D.; Francisco, J.S.
Title:   Theoretical Study of the Thermal Decomposition Pathways of Heptafluoropropane
Journal:   J. Phys. Chem. A
Volume:   106
Page(s):   3106 - 3113
Year:   2002
Reference type:   Journal article
Squib:   2002PET/FRA3106-3113

Reaction:   CF3CHFCF3·CF3 + CF3CHF
Reaction order:   1
Rate expression:   no rate data available
Category:  Theory
Data type:   Barrier height only calculated
Comments:   QCISD(T)/6-311G(d,p)//UMP2/6-31G(d), thermodynamics and barriers only, rationale for observed products given

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