Mechanism of the O2(1Δg) generation from the Cl2/H2O2 basic aqueous solution explored by the combined ab initio calculation and nonadiabatic dynamics simulation
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DOI: 10.1002/jcc.25713
Abstract: In the present work, mechanism of the O2(1Δg) generation from the reaction of the dissolved Cl2 with H2O2 in basic aqueous solution has been explored by the combined ab initio calculation and nonadiabatic dynamics simulation,… read more here.
Keywords: basic aqueous; mechanism generation; generation; cl2 h2o2 ... See more keywords