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- W2808177788 abstract "The active-site structure, reaction mechanism, and product selectivity of the industrially important selective hydrogenation of 1,3-butadiene are investigated using first principles for an emerging single-atom Pd catalyst anchored on graphene." @default.
- W2808177788 created "2018-06-21" @default.
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- W2808177788 date "2018-01-01" @default.
- W2808177788 modified "2023-10-13" @default.
- W2808177788 title "Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics" @default.
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- W2808177788 doi "https://doi.org/10.1039/c8sc00776d" @default.
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