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- W1998545905 abstract "Using density functional theory, we report detailed reaction path calculations for the reaction of acetone with the silicon (001) surface. We identify the key reaction intermediates of dissociative adsorption and the transition states between them. This resolves the identity of the one-dimer intermediate observed in STM experiments and its role in the formation of several two-dimer-wide end products of dissociation. Key to the understanding of the dissociation mechanism is the ambiphilic character of the two reactants, that is the simultaneous expression of electrophilic and nucleophilic reactivities in both the surface and the acetone molecule." @default.
- W1998545905 created "2016-06-24" @default.
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- W1998545905 date "2009-01-01" @default.
- W1998545905 modified "2023-09-24" @default.
- W1998545905 title "Acetone on silicon (001): ambiphilic molecule meets ambiphilic surface" @default.
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- W1998545905 doi "https://doi.org/10.1039/b815542a" @default.
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