廉价金属配合物催化C=C双键氢化反应的理论研究

21672018
2016
B0307.化学反应机制
雷鸣
面上项目
教授
北京化工大学
65万元
廉价金属配合物;理论研究;C=C双键氢化反应;反应机理;催化剂设计
2017-01-01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 Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2 (100) Surface: Toward H-2 Dissociation and Oxygen Vacancy Formation 期刊论文 Zhang Wei;Pu Min;Lei Ming
2 Theoretical Study on Mechanism of CO, Hydrogenation to Formic Acid Catalyzed by Manganese Complex 期刊论文 Zhang Lin;Zhang Wei;Yue Xin;Li Pengjie;Yang Zuoyin;Pu Min;Lei Ming
3 Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide 期刊论文 Xiong Wenfang;Shi Fuxing;Cheng Ruixiang;Zhu Baiyao;Wang Lu;Chen Pengquan;Lou Hongming;Wu Wanqing;Qi Chaorong;Lei Ming;Jiang Huanfeng
4 Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study 期刊论文 Wang Qianyue;Li Longfei;Li Pengjie;Yue Xin;Yang Zuoyin;Pu Min;Lei Ming
5 A Computational Study on Iridium-Catalyzed Production of Acetic Acid from Ethanol and Water Solution 期刊论文 Yue Xin;Li Longfei;Li Pengjie;Luo Chenguang;Pu Min;Yang Zuoyin;Lei Ming
6 Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its AI, Ga, In, and TI Congeners 期刊论文 Li Longfei;Lei Ming;Xie Yaoming;Weinhold Frank;Schaefer Henry F III
7 Transition-Metal-Free Hydrogen Autotransfer: Diastereoselective N-Alkylation of Amines with Racemic Alcohols 期刊论文 Xiao Miao;Yue Xin;Xu Ruirui;Tang Weijun;Xue Dong;Li Chaoqun;Lei Ming;Xiao Jianliang;Wang Chao
8 笼形水合簇中水分子对与氢键能的关系 期刊论文 余雨田;胡晓敏;雷鸣;杨作银
9 Theoretical Study on the Formation Mechanism of Catalytic Active Components in Suzuki-Miyaura Cross-Coupling Reaction Catalyzed by Transition Metal Cobalt Complex 期刊论文 Zhang Wei;Zhang Yiwei;Li Hui;Lei Ming
10 Asymmetric Induction with a Chiral Amine Catalyzed by a Ru-PNP Pincer Complex: Insight from Theoretical Investigation 期刊论文 Liu Yangqiu;Yue Xin;Li Longfei;Li Zhewei;Zhang Lin;Pu Min;Yang Zuoyin;Wang Chao;Xiao Jianliang;Lei Ming
11 Murai反应中芳香酮邻位C–H键活化的区域选择性的理论研究 期刊论文 唐艳辉;李慧;李龙飞
12 A DFT study on ring-opening polymerization of epsilon-caprolactone initiated by Mg and Al complexes 期刊论文 Li Pengjie;Xi Yanxia;Li Longfei;Li Hui;Sun Wen Hua;Lei Ming
13 含氮杂环协助的醛胺缩合反应机理的研究 期刊论文 李哲伟;王骞阅;蒲敏;杨作银;雷鸣
14 Transition-metal-free polycyclic indoline formation via a free radical pathway: a computational mechanistic study 期刊论文 Luo Chenguang;Lu Lin;Zhang Lin;Yang Zuoyin;Pu Min;Yin Biaolin;Lei Ming
15 单笼形水分子簇中心水分子对类型关系 期刊论文 胡晓敏;余雨田;陈思宇;雷鸣;蒲敏;杨作银
16 Theoretical Study on Nitrogenous Heterocyclic Assisted Aldimine Condensation 期刊论文 Li Zhewei;Wang Qianyue;Pu Min;Yang Zuoyin;Lei Ming
17 DFT Study on the Mechanism of Tandem Oxidative Acetoxylation/Ortho C-H Activation/Carbocyclization Catalyzed by Pd(OAc)(2) 期刊论文 Li Hui;Ma Xuelu;Zhang Baohua;Lei Ming
18 pH-Dependent transfer hydrogenation or dihydrogen release catalyzed by a [(eta(6)-arene)RuCl(kappa(2)-N,N-dmobpy)](+) complex: a DFT mechanistic understanding 期刊论文 Luo Chenguang;Li Longfei;Yue Xin;Li Pengjie;Zhang Lin;Yang Zuoyin;Pu Min;Cao Zexing;Lei Ming
19 Hydrogen Bond Cooperative Effect in Single Cage Water Clusters 期刊论文 Hu Xiao-Min;Yu Yu-Tian;Chen Si-Yu;Lei Ming;Pu Min;Yang Zuo-Yin
20 Metal–Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst 期刊论文 Longfei Li;Ming Lei;Li Liu;Yaoming Xie;Henry F. Schaefer
21 Experimental and Theoretical Study on the Stability of CL-20-Based Host-Guest Energetic Materials 期刊论文 Ding Ruiqin;Xu Jinjiang;Tao Yuting;Sun Jie;Lei Ming
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