Computational study on the catalytic cycle for reduction of NO to N2 catalyzed by a ruthenium–substituted Keggin-type polyoxometalate
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DOI: 10.1016/j.comptc.2018.08.004
Abstract: Abstract Reaction mechanism corresponding to reduction of NO to N2 by hydroxylammonium chloride (NH2OH⋅HCl) catalyzed by a ruthenium–substituted Keggin-type polyoxometalates (POMs) has been studied by using density functional theory (DFT) method with the M06L functional.… read more here.
Keywords: reduction; catalyzed ruthenium; ruthenium substituted; keggin type ... See more keywords