Understanding the kinetics of thermal decomposition of 2,3-epoxy-2,3-dimethylbutane using RRKM theory
Author:
Affiliation:
1. Center of Molecular and Materials Modelling
2. Hasselt University
3. B-3590 Diepenbeek
4. Belgium
5. Young Researchers and Elite Club
6. Chemistry Department
7. Shahrood Branch
8. Islamic Azad University
9. Shahrood
10. Iran
Abstract
The thermal decomposition kinetics of 2,3-epoxy-2,3-dimethylbutane have been studied computationally using density functional theory, along with various exchange–correlation functionals and an extremely large basis set.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA21963B
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