Mechanistic insights into the iridium catalysed hydrogenation of ethyl acetate to ethanol: a DFT study

Xiuli Yan1, Xinzheng Yang

  • 1Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P.R. China. xyang@iccas.ac.cn.

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