Exploring the mechanism of alkene hydrogenation catalyzed by defined iron complex from DFT computation.

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第一作者： Cai-Hong,Guo

第一单位： Key Laboratory of Magnetic Molecules, Magnetic Information Materials Ministry of Education, The School of Chemical and Material Science, Shanxi Normal University, Linfen, 041004, China. sxgch2006@163.com.

作者： Cai-Hong,Guo ^[1] ; Dandan,Yang ^[2] ; Xiaoyan,Liu ^[2] ; Xiang,Zhang ^[2] ; Haijun,Jiao ^[3]

作者单位： Key Laboratory of Magnetic Molecules, Magnetic Information Materials Ministry of Education, The School of Chemical and Material Science, Shanxi Normal University, Linfen, 041004, China. sxgch2006@163.com. ^[1] Key Laboratory of Magnetic Molecules, Magnetic Information Materials Ministry of Education, The School of Chemical and Material Science, Shanxi Normal University, Linfen, 041004, China. ^[2] Leibniz-Institut für Katalyse e.V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059, Rostock, Germany. haijun.jiao@catalysis.de. ^[3]

关键词 Alkene hydrogenation DFT Fe complexes Homogeneous catalysis Mechanism

DOI 10.1007/s00894-019-3942-6

PMID 30747286

发布时间 2020-02-25

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