Litcius/Paper detail

Comment on “Atmospheric chemistry of oxazole: the mechanism and kinetic studies on oxidation reaction initiated by OH radicals” by A. Shiroudi, M. A. Abdel-Rahman, A. M. El-Nahas and M. Altarawneh, <i>New J. Chem.</i>, 2021, <b>45</b>, 2237

Tam V.‐T., Lam K. Huynh

2021New Journal of Chemistry17 citationsDOIOpen Access PDF

Abstract

The large kinetic discrepancy between computational and experimental studies is resolved using the rigorous stochastic RRKM-based master-equation rate model. Detailed mechanistic insights are also revealed to advance its related applications.

Topics & Concepts

ChemistryRadicalOxazoleKinetic energyReaction mechanismRedoxComputational chemistryOrganic chemistryCatalysisQuantum mechanicsPhysicsAtmospheric chemistry and aerosolsAtmospheric Ozone and ClimateAir Quality and Health Impacts