一系列镍催化的有机反应机理的理论研究

21002073
2010
B0307.化学反应机制
夏远志
青年科学基金项目
教授
温州大学
19万元
镍催化;势能面;密度泛函计算;反应机理;Lewis酸添加剂
2011-01-01到2013-12-31
  • 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 Mechanisms of the Au- and Pt-Catalyzed Intramolecular Acetylenic Schmidt Reactions: A DFT Study 期刊论文 Xia|Yuanzhi|Huang|Genping|
2 Computational Elucidation of the Internal Oxidant-Controlled Reaction Pathways in Rh(III)-Catalyzed Aromatic C-H Functionalization 期刊论文 Xu, Liang|Zhu, Qi|Huang, Genping|Cheng, Bing|Xia, Yuanzhi|
3 Mechanism of the Transition-Metal-Catalyzed Hydroarylation of Bromo-Alkynes Revisited: Hydrogen versus Bromine Migration 期刊论文 Huang, Genping|Cheng, Bing|Xu, Liang|Li, Yahong|Xia, Yuanzhi|
4 Reactivity of Alkynyl Metal Carbenoids: DFT Study on the Pt-Catalyzed Cyclopropanation of Propargyl Ester Containing 1,3-Diynes 期刊论文 Huang, Genping|Xie, Kelei|Lee, Daesung|Xia, Yuanzhi|
5 Noninnocent Counterion Effect on the Rearrangements of Cationic Intermediates in a Gold(I)-Catalyzed Alkenylsilylation Reaction 期刊论文 Zhou, Tao|Xu, Liang|Xia, Yuanzhi|
6 Mechanism of the N-protecting group dependent annulations of 3-aryloxy alkynyl indoles under gold catalysis: a computational study 期刊论文 Cheng, Bing|Huang, Genping|Xu, Liang|Xia, Yuanzhi|
7 Rapid Access to Substituted Piperazines via Ti(NMe2)(4)-Mediated C-C Bond-Making Reactions 期刊论文 Chen|Zhou|Wu|Jian|Chen|Yanmei|et al|
8 Theoretical Studies on the Mechanism of the C-H Amination of Silyl Cyclopropenes by Azodicarboxylates 期刊论文 Huang, Genping|Xia, Yuanzhi|Sun, Chunrui|Li, Jingwei|Lee, Daesung|
9 Subtle Electronic Effects in Metal-Free Rearrangement of Allenic Alcohols 期刊论文 Sabbasani, Venkata R.|Mamidipalli, Phani|Lu, Huijie|Xia, Yuanzhi|Lee, Daesung|
10 On the Validity of Au-vinylidenes in the Gold-Catalyzed 1,2-Migratory Cycloisomerization of Skipped Propargylpyridines 期刊论文 Xia|Yuanzhi|Dudnik|Alexander S.|Li|Yahong|
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