https://ogma.newcastle.edu.au/vital/access/ /manager/Index en-au 5 Formation of chlorobenzenes by oxidative thermal decomposition of 1,3-dichloropropene https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:27704 Wed 24 Jul 2019 15:36:26 AEST ]]> Formation of benzofuran and chlorobenzofuran from 1,3-dichloropropene: a quantum chemical investigation https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:22688 n thermochemical methods are used to propose detailed mechanistic reaction pathways. These calculations indicate that oxidation of phenylvinyl radical intermediates and subsequent ring closure are key mechanistic pathways in the formation of benzofuran and chlorobenzofuran. Thermochemical and kinetic parameters presented herein will assist in further elucidation of dioxin formation mechanisms from thermolyses of hydrocarbon moieties.]]> Wed 24 Jul 2019 13:51:26 AEST ]]> Formation of toxic compounds in the thermal decomposition of 1,3-dichloropropene https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:22328 Wed 11 Apr 2018 11:46:01 AEST ]]> Dehydrohalogenation of ethyl halides https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:19259 Sat 24 Mar 2018 08:06:33 AEDT ]]> Quantum Chemical Molecular Dynamics Simulations of 1,3-Dichloropropene Combustion https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:27362 Mon 12 Aug 2019 13:56:34 AEST ]]>