Browsing Electronic Theses and Dissertations by Subject "Organic Mercury"
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COMPUTATIONAL ANALYSIS OF VARIOUS REACTIONS BETWEEN HYDROXYL RADICALS AND ORGANIC MERCURY SPECIES
(2021-07-29)The interactions between hydroxy radicals and both dimethylmercury and methylmercury hydroxide have been studied using ab-initio methods. The density functional theory (DFT) method M06-2X was used to optimize the structures ...