Structures, energetics, and kinetics of H-atom abstraction from methyl propionate by molecular oxygen: Ab initio and DFT investigations

Citation:
Mahmoud, M. A. M., A. Shiroudi, M. A. Abdel-Rahman, M. F. Shibl, S. Abdel-Azeim, and A. M. El-Nahas, "Structures, energetics, and kinetics of H-atom abstraction from methyl propionate by molecular oxygen: Ab initio and DFT investigations", Computational and Theoretical Chemistry, vol. 1196: Elsevier, pp. 113119, 2021.

Abstract:

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