科研之友
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摘要
The positive effect of the addition of water to acetone hydrogenation by [RhH2(PR3)(2)S-2](+) catalysts has been studied by DFT calculations. The studied energetic profiles reveal that the more favourable mechanistic path involves a hydride migration to the ketone followed by a reductive elimination that is assisted by two water molecules.
- 出版日期2016
