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Accessibility information
Author(s):   Gulvi, N.R.; Patel, P.; Badani, P.M.
Title:   Exploring unimolecular dissociation kinetics of ethyl dibromide through electronic structure calculations
Journal:   Chem. Phys.
Volume:   505
Page(s):   55 - 63
Year:   2018
Reference type:   Journal article
Squib:   2018GUL/PAT55-63

Reaction:   CH2BrCH2BrCH2=CHBr + HBr
Reaction order:   2
Temperature:   298 - 1400 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using statistical kinetic rate theory. Rate constants were calculated for a wide range of temperatures; however, no Arrhenius expressions are given for the k(T) dependences. Instead, rate constants at selected temperatures are presented in a tabular format.

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