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Yunxia Li
Researcher at Zhengzhou University
Publications - 7
Citations - 176
Yunxia Li is an academic researcher from Zhengzhou University. The author has contributed to research in topics: Catalysis & Chemistry. The author has an hindex of 4, co-authored 4 publications receiving 137 citations.
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Journal ArticleDOI
Theoretical Investigations toward the [4 + 2] Cycloaddition of Ketenes with N-Benzoyldiazenes Catalyzed by N-Heterocyclic Carbenes: Mechanism and Enantioselectivity
TL;DR: Density functional theory calculations have been performed to provide the first detailed computational study on the mechanism and enantioselectivity for the [4 + 2] cycloaddition reaction of ketenes with N-benzoyldiazenes catalyzed by N-heterocyclic carbenes (NHCs).
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New Mechanistic Insight into Stepwise Metal-Center Exchange in a Metal–Organic Framework Based on Asymmetric Zn4 Clusters
Wei Meng,Huijun Li,Zhouqing Xu,Shanshan Du,Yunxia Li,Yanyan Zhu,Yi Han,Yi Han,Hongwei Hou,Yaoting Fan,Mingsheng Tang +10 more
TL;DR: A new magnetic analytical method and a theoretical model confirmed that the exchange mechanism for a specific metal-organic framework is reasonable and the coordination stability dominates the Cu/Zn exchange process.
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Ligand-free Synthesis of Noble Metal Nanocatalysts for Electrocatalysis
TL;DR: In this article , the authors comprehensively overview the ligand-free synthesis of noble metal nanocatalysts and their electrocatalytic applications and compare the advantages and disadvantages of these synthetic methods.
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A DFT study on the reaction mechanism of dimerization of methyl methacrylate catalyzed by N-heterocyclic carbene.
TL;DR: A novel reaction pathway is proposed, where the proton transfers are assisted by a different molecule, and it is suggested that the E-isomer product is the main product, which is in agreement with the experimental results.
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DFT study on reaction mechanisms of propylamine and dimethyl acetylenedicarboxylate with 1,3-dimethylalloxan
TL;DR: In this article, two reaction mechanisms were investigated using density function theory (DFT) at the B3LYP/6-311++G(d,p) level of theory, including the solvent effect of dichloromethane simulated by PCM.