• First-principle studies on the gas phase OH-initiated oxidation of O-toluidine 

      Abdel-Rahman M.A.; Shibl M.F.; El-Demerdash S.H.; El-Nahas A.M. ( Elsevier B.V. , 2019 , Article)
      In the present work, the gas phase reaction of OH radical initiated O-toluidine (OTOD) oxidation is investigated at ROCBS-QB3. Different pathways for OH radical additions to the benzene ring sites and H-atom abstractions ...