Hidden complexities in the reaction of H2O2 and HNO revealed by ab initio quantum chemical investigations.


Nitroxyl (HNO) and hydrogen peroxide have both been implicated in a variety of reactions relevant to environmental and physiological processes and may contribute to a unique, unexplored, pathway for the production of nitrous acid (HONO) in soil. To investigate the potential for this reaction, we report an in-depth investigation of the reaction pathway of… (More)
DOI: 10.1039/c7cp05883g


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