Structures, Energetics, and Kinetics of H-atom Abstraction from Methyl Propionate by Molecular Oxygen: Ab Initio and DFT Investigations

Publication date: Available online 8 December 2020Source: Computational and Theoretical ChemistryAuthor(s): Mohamed A. M. Mahmoud, Abolfazl Shiroudi, Mohamed A. Abdel-Rahman, Mohamed F. Shibl, Safwat Abdel-Azeim, Ahmed M. El-Nahas

Source: Computational and Theoretical Chemistry - December 10, 2020 Category: Chemistry Source Type: research