Mechanism and kinetics for the reaction of O(3P) with DMSO: A theoretical study

► Mechanism and kinetics for the reaction of O(3P) with DMSO have been explored. ► Probable pre-reactive complexes are identified. ► Stability as well as interaction patterns in pre-reactive complexes are determined. ► Probable routes for the title reaction are identified. ► Thermochemical parameters and enthalpy of formation are calculated.