Degradation of NTO induced by superoxide and hydroperoxyl radicals: a comprehensive DFT study

doi:10.1039/d3cp05603a

DOI: 10.1039/d3cp05603a ISSN: 1463-9076

Degradation of NTO induced by superoxide and hydroperoxyl radicals: a comprehensive DFT study

Liudmyla K. Sviatenko, Leonid Gorb, Jerzy Leszczynski

Physical and Theoretical Chemistry
General Physics and Astronomy

Decomposition of environmental pollutant NTO (5-nitro-1,2,4-triazol-3-one) induced by hydroperoxyl radicals in water is a multistep process, which leads to its mineralization.

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