铁、钴配合物催化酮不对称氢化反应的理论研究

21703256
2017
B0301.化学理论与方法
景园园
青年科学基金项目
助理研究员
中国科学院化学研究所
23万元
不对称氢化;溶剂效应;钳型配合物;取代基效应;密度泛函理论
2018-01-01到2020-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Mechanistic insights and computational design of half-sandwich iridium and rhodium complexes for hydrogenation of quinoline 期刊论文 Yan Xiuli;Yang Xinzheng
2 Bioinspired Design and Computational Prediction of SCS Nickel Pincer Complexes for Hydrogenation of Carbon Dioxide 期刊论文 Liu Xiaoyun;Qiu Bing;Yang Xinzheng
3 Mechanistic Insights into Selective Hydrogenation of C=C Bonds Catalyzed by CCC Cobalt Pincer Complexes: A DFT Study 期刊论文 Zuo Zheng;Yang Xinzheng
4 Binuclear O-2 activation and hydrogen transfer mechanism for aerobic oxidation of alcohols 期刊论文 Hu Zhiyun;Ge Hongyu;Yang Xinzheng
5 Computational Design of SCS Nickel Pincer Complexes for the Asymmetric Transfer Hydrogenation of 1-Acetonaphthone 期刊论文 Qiu Bing;Wang Wan;Yang Xinzheng
6 Hydrogenation of CO2 to Methanol Catalyzed by CpCo Complexes: Mechanistic Insights and Ligand Design 期刊论文 Yan Xiuli;Ge Hongyu;Yang Xinzheng
7 Mechanistic insights into asymmetric transfer hydrogenation of pyruvic acid catalysed by chiral osmium complexes with formic acid assisted proton transfer 期刊论文 Wang Wan;Yang Xinzheng
8 Computational Study of the Substituent Effects for the Spectroscopic Properties of Thiazolo[5,4-d]thiazole Derivatives 期刊论文 Li Rongrong;Yang Xinzheng
9 Computational prediction of pentadentate iron and cobalt complexes as a mimic of mono-iron hydrogenase for the hydrogenation of carbon dioxide to methanol 期刊论文 Wang Wan;Qiu Bing;Yang Xinzheng
10 Computational Prediction of Chiral Iron Complexes for Asymmetric Transfer Hydrogenation of Pyruvic Acid to Lactic Acid 期刊论文 Wang Wan;Yang Xinzheng
11 Unexpected concerted two-proton transfer for amination of formic acid to formamide catalysed by Mn bipyridinol complexes 期刊论文 Yan Xiuli;Ge Hongyu;Yang Xinzheng
12 DFT and AIMD prediction of a SNS manganese pincer complex for hydrogenation of acetophenone 期刊论文 Qian Fangyuan;Chen Xiangyang;Yang Xinzheng
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