Computational characterization of the herbicide metolachlor and its mono-hydroxylated photodegradation products
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DOI: 10.1007/s00214-018-2353-6
Abstract: Electronic structure calculations have been performed for the characterization of the different conformers of the herbicide metolachlor (MC), (2-chloro-N-(2-methyl-6-ethylphenyl)-N-(2-methoxy-1-methylethyl) acetamide), the radical structures obtained through the photo chemical breaking of the C–Cl bond and the… read more here.
Keywords: mono hydroxylated; kcal mol; herbicide metolachlor; characterization ... See more keywords
Kinetics and thermodynamics of the hydroxylation products in the photodegradation of the herbicide Metolachlor
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DOI: 10.1515/pac-2018-1205
Abstract: Abstract Electronic structure calculations have been performed to determine the thermochemistry and kinetics of the reaction between OH and the radicals of the S enantiomer of the herbicide Metolachlor, 2-chloro-N-(2-methyl-6-ethylphenyl)-N(2-methoxy-1-methylethyl) acetamide (MC), produced by photoinduced… read more here.
Keywords: herbicide metolachlor; kinetics thermodynamics; thermodynamics hydroxylation; thermodynamics ... See more keywords