Search Results - "Qi, Zheng‐Hang"

Dual Role of a Photocatalyst: Generation of Ni(0) Catalyst and Promotion of Catalytic C–N Bond Formation by Qi, Zheng-Hang, Ma, Jing

“…Photoredox/transition-metal dual catalysis has become a hot research topic in the development of methodologies. Density functional theory (DFT) calculations…”
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Theoretical studies on tunable electronic structures and potential applications of two‐dimensional arsenene‐based materials by Zhao, Jun, Qi, Zheng‐Hang, Xu, Yong, Dai, Jun, Zeng, Xiao Cheng, Guo, Wanlin, Ma, Jing

“…Research efforts in the area of two‐dimensional (2D) arsenene‐based materials have been fueled up recently due to similarities in honeycomb atomic structures…”
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Chiral Bis‐Oxalamide‐Rare Earth Complex Catalyzed Inverse‐ Electron‐Demand Asymmetric oxa‐Hetero‐Diels‐Alder Reaction for Optically Active Dihydropyran Core Structures by Yang, Hao‐Di, Chen, Jun‐Bo, Peng, Cheng, Liu, Wen‐Kai, Zhou, Sheng‐Suo, Song, Jia‐Xin, Qi, Zheng‐Hang, Wang, Yong, Wang, Xing‐Wang

“…Chiral bis‐oxalamide (CBOA)/rare‐earth metal complexes‐catalyzed asymmetric inverse‐electron‐demand oxa‐hetero‐Diels‐Alder (HDA) reactions were investigated…”
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Ammonia-borane dehydrogenation catalyzed by Iron pincer complexes: A concerted metal-ligand cooperation mechanism by Zhang, Yi, Zhang, Ye, Qi, Zheng-Hang, Gao, Yun, Liu, Wei, Wang, Yong

“…A quantum-chemical mechanistic investigation using density functional theory (DFT) on ammonia-borane dehydrogenation catalyzed by a series of iron…”
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Friedel-Crafts Reaction of Indoles with Isatin-Derived β,γ-Unsaturated α-Keto Esters Using a BINOL-Derived Bisoxazoline (BOX)/Copper(II) Complex as Catalyst by Li, Nai-Kai, Kong, Ling-Pei, Qi, Zheng-Hang, Yin, Shao-Jie, Zhang, Jun-Qi, Wu, Bing, Wang, Xing-Wang

“…Several chiral BINOL‐derived bisoxazoline (BOX)/copper(II) complexes were synthesized and evaluated as catalysts for the Friedel–Crafts reaction of indoles…”
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Ligand Effects of BrettPhos and RuPhos on Rate-Limiting Steps in Buchwald–Hartwig Amination Reaction Due to the Modulation of Steric Hindrance and Electronic Structure by Tian, Jiaqi, Wang, Gaobo, Qi, Zheng-Hang, Ma, Jing

“…The differences in catalytic activity between two catalyst ligands of Buchwald–Hartwig amination reaction, BrettPhos versus RuPhos, were investigated using…”
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Brønsted or Lewis Acid Initiated Multicomponent Cascade Reaction: Diastereoselective Synthesis of Imidazolidinyl Spirooxindole Derivatives by Zhang, Jun-Qi, Qi, Zheng-Hang, Yin, Shao-Jie, Li, Hai-Yan, Wang, Yong, Wang, Xing-Wang

“…One peculiar type of aza‐hetero‐imidazolidinyl spirooxindole derivatives was efficiently constructed by the three‐component [2+2+1] cascade reaction of…”
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The mechanism of Cu-catalyzed C–N cyclization from N-phenylbenzamidine to 2-phenylbenzimidazole: A DFT study by Ruan, Gui-Yu, Zhang, Ye, Qi, Zheng-Hang, Ai, Dong-Xia, Liu, Wei, Wang, Yong

“…[Display omitted] •We studied the mechanism of copper-catalyzed N–H/C–H activation from N-phenylbenzamidine to 2-phenylbenzimidazole.•A Cu-assisted concerted…”
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DFT studies of dehydrogenation of ammonia–borane catalyzed by [Ir(ItBu′)2]+: A proton transfer mechanism by Ai, Dong-Xia, Qi, Zheng-Hang, Ruan, Gui-Yu, Zhang, Ye, Liu, Wei, Wang, Yong

“…A DFT study of the catalytic mechanism of the dehydrogenation of ammonia borane (NH3BH3) has been investigated by [Ir(ItBu′)2]+. A proton transfer mechanism is…”
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Intercalant-induced V t2g orbital occupation in vanadium oxide cathode toward fast-charging aqueous zinc-ion batteries by Wang, Yixiu, Wei, Shiqiang, Qi, Zheng-Hang, Chen, Shuangming, Zhu, Kefu, Ding, Honghe, Cao, Yuyang, Zhou, Quan, Wang, Changda, Zhang, Pengjun, Guo, Xin, Yang, Xiya, Wu, Xiaojun, Song, Li

“…Intercalation-type layered oxides have been widely explored as cathode materials for aqueous zinc-ion batteries (ZIBs). Although high-rate capability has been…”
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van der Waals Epitaxial Growth and Interfacial Passivation of Two-Dimensional Single-Crystalline Few-Layer Gray Arsenic Nanoflakes by Hu, Yi, Qi, Zheng-Hang, Lu, Jingyu, Chen, Renpeng, Zou, Mingzhi, Chen, Tao, Zhang, Wenjun, Wang, Yanrong, Xue, Xiaolan, Ma, Jing, Jin, Zhong

“…Numerous theoretical simulation works have predicted the fantastic properties of arsenene, such as a tunable band gap, topological states, and a high carrier…”
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Monolayer Thiol Engineered Covalent Interface toward Stable Zinc Metal Anode by Wei, Shiqiang, Qi, Zheng-Hang, Xia, Yujian, Chen, Shuangming, Wang, Changda, Wang, Yixiu, Zhang, Pengjun, Zhu, Kefu, Cao, Yuyang, Guo, Xin, Yang, Xiya, Cui, Qilong, Liu, Xiaosong, Wu, Xiaojun, Song, Li

“…Interface engineering of zinc metal anodes is a promising remedy to relieve their inferior stability caused by dendrite growth and side reactions…”
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COAP-Pd Catalyzed Asymmetric Allylic Alkylation of Azlactones with MBH Carbonates: Access to Unnatural α‑Quaternary Stereogenic Glutamic Acid Derivatives by Zhou, Sheng-Suo, Sun, Xing-Yun, Liu, Wen-Kai, Song, Jia-Yu, Wang, Zheng, Qi, Zheng-Hang, Wang, Xing-Wang

“…A palladium-catalyzed regioselective and asymmetric allylic alkylation of azlactones with MBH carbonates has been developed with chiral oxalamide-phosphine…”
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Microenvironment modulation of cuprous cluster enables inert aryl chlorides activation in single-molecule metallaphotoredox amination by Zha, Guo-Jin, Ji, Wei, Qi, Zheng-Hang, Qiu, Wen-Jie, Li, Ai-Min, Zhu, Dun-Ru, Jing, Su

“…[Display omitted] •Ferrocenyl and phenyl groups in cuprous cluster C1 form aromatic microenvironment.•SMP C1 successfully activate inert Ph-Cl in…”
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Mechanistic insights into tandem amine-borane dehydrogenation and alkene hydrogenation catalyzed by [Pd(NHC)(PCy3)] by Zhang, Yi, Wang, Ping, Gao, Yun, Zhang, Ye, Qi, Zheng-Hang, Liu, Wei, Wang, Yong

“…The mechanism of tandem dimethylamine-borane (NHMe2BH3, DMAB) dehydrogenation and alkene hydrogenation catalyzed by [Pd(NHC)(PMe3)] are investigated by density…”
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Mechanism, reactivity, and regioselectivity in rhodium-catalyzed asymmetric ring-opening reactions of oxabicyclic alkenes: a DFT Investigation by Qi, Zheng-Hang, Zhang, Yi, Gao, Yun, Zhang, Ye, Wang, Xing-Wang, Wang, Yong

“…The origin of the enantio- and regioselectivity of ring-opening reaction of oxabicyclic alkenes catalyzed by rhodium/Josiphos has been examined using M06-2X…”
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Enantioselective Construction of Functionalized Thiopyrano-Indole Annulated Heterocycles via a Formal Thio [3 + 3]-Cyclization by Chen, Xiang, Qi, Zheng-Hang, Zhang, Shao-Yun, Kong, Ling-Pei, Wang, Yong, Wang, Xing-Wang

“…A formal thio [3 + 3]-cyclization catalyzed by a DPEN-derived chiral thiourea has been reported for the construction of optically active thiopyrano-indole…”
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Organocatalytic enantioselective construction of multi-functionalized spiro oxindole dienes by Huang, Xiao-Fei, Zhang, Ya-Fei, Qi, Zheng-Hang, Li, Nai-Kai, Geng, Zhi-Cong, Li, Kun, Wang, Xing-Wang

“…A diastereo- and enantio-selective domino Michael-cyclization-tautomerization reaction of isatylidene malononitriles with α,α-dicyanoalkenes catalyzed by a…”
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Data-Driven Accessibility Public Welfare Communication and Mobile Crowdsourcing System by Zhao, Tian-Fang, Zheng, Shu-Xian, Zheng, Qi-Hang, Gu, Hong

“…The level of social accessibility in a city reflects its image and the degree of social civilization. Most existing studies on accessibility public welfare…”
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Intercalant-induced V t 2 g orbital occupation in vanadium oxide cathode toward fast-charging aqueous zinc-ion batteries by Wang, Yixiu, Wei, Shiqiang, Qi, Zheng-Hang, Chen, Shuangming, Zhu, Kefu, Ding, Honghe, Cao, Yuyang, Zhou, Quan, Wang, Changda, Zhang, Pengjun, Guo, Xin, Yang, Xiya, Wu, Xiaojun, Song, Li

“…Intercalation-type layered oxides have been widely explored as cathode materials for aqueous zinc-ion batteries (ZIBs). Although high-rate capability has been…”
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