Atmospheric chemistry of oxazole: the mechanism and kinetic studies of the oxidation reaction initiated by OH radicals
Abolfazl Shiroudi, Mohamed A. Abdel-Rahman, Ahmed M. El‐Nahas, Mohammednoor Altarawneh
Abstract
Oxidation of oxazole by OH˙ radicals studied by DFT methods coupled with reaction kinetics calculations using TST and RRKM theories.
Topics & Concepts
ChemistryRadicalOxazoleKinetic energyMechanism (biology)Reaction mechanismPhotochemistryComputational chemistryOrganic chemistryCatalysisPhilosophyPhysicsEpistemologyQuantum mechanicsAtmospheric chemistry and aerosolsAdvanced Chemical Physics StudiesFree Radicals and Antioxidants