Zobrazeno 1 - 10 of 422 pro vyhledávání: '"Dongju, Zhang"'
1
Akademický článek
Mechanistic insight into C−S bond construction using CO2 as a carbon source: Synthesis of benzothiazoles from 2-aminothiophenols in imidazolium acetate
Autor: Hongliang Wang, Chengbu Liu, Dongju Zhang
Publikováno v: Journal of CO2 Utilization, Vol 85, Iss , Pp 102874- (2024)
DFT calculations on synthesis of benzothiazoles via cyclization of 2-aminothiophenols with CO2 and triethoxysilane have revealed a novel mechanism that fundamentally differs from previously proposed mechanisms. In this new mechanism, the acetate anio
Externí odkaz: https://doaj.org/article/1fcf193fa4314e1eaeef672532817342
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4
New insights into the mechanism of synergetic photoredox/copper(i)-catalyzed carbocyanation of 1,3-dienes: a DFT study
Autor: Yanhong Liu, Aili Feng, Rongxiu Zhu, Dongju Zhang
Publikováno v: Chemical Science. 14:4580-4588
DFT calculations shows an unexpected mechanism in the photoredox/copper-catalyzed carbocyanation of 1,3-diene, which involves CuI-only catalysis and the single electron transfer from the allyl radical to the oxidized photocatalyst.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3e57c69dc016c398b8cecf69b33f575d
https://doi.org/10.1039/d3sc00002h
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5
DFT calculations reveal the origin of controllable synthesis of β-boronyl carbonyl compounds from Cu/Pd-cocatalyzed four-component borocarbonylation of vinylarenes
Autor: Lin Liu, Yanhong Liu, Yiying Yang, Chengbu Liu, Dongju Zhang
Publikováno v: Catalysis Science & Technology. 13:2123-2133
DFT calculations show that the difference in reactivity caused by different raw materials (aryl halides/trifluoromethanesulfonate) is due to the different formation rates of intermediates in copper and palladium catalytic cycles.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4ba38350a4f31cbb436c478769772bd2
https://doi.org/10.1039/d2cy01936a
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8
Akademický článek
Direct Learning Hidden Excited State Interaction Patterns from ab initio Dynamics and Its Implication as Alternative Molecular Mechanism Models
Autor: Fang Liu, Likai Du, Dongju Zhang, Jun Gao
Publikováno v: Scientific Reports, Vol 7, Iss 1, Pp 1-12 (2017)
Abstract The excited states of polyatomic systems are rather complex, and often exhibit meta-stable dynamical behaviors. Static analysis of reaction pathway often fails to sufficiently characterize excited state motions due to their highly non-equili
Externí odkaz: https://doaj.org/article/ec4af1fd1903499a8a265331b5b70720
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10
Palaeoproteomics of skeletal fossils reveals hominins evolution and behaviours: several case studies from East Asia
Autor: Huan Xia, Dongju Zhang, Fahu Chen
The analysis of ancient DNA and paleoproteomics can identify biological materials, such as fossils, construct phylogenetic relationships between extinct and extant species, and has been widely applied in archaeology and paleontology. In general, prot
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::aa1c18bc02ab687450e0a0da0151aacc
https://doi.org/10.5194/egusphere-egu23-15774
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