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Computational study on the prototropic tautomerism between simple oxo-, thio-, carbon-, aza-hydrazones, and their respective azines

Journal of molecular modeling, 2022-12, Vol.28 (12), p.393-393, Article 393

2022

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Kinetic resolution of cyclic benzylic azides enabled by site- and enantioselective C(sp3)–H oxidation

Nature communications, 2022-03, Vol.13 (1), p.1621-1621, Article 1621

2022

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Mechanistic study of Selectfluor-mediated digold-catalyzed Csp3-Csp2 coupling reaction

Chemical physics letters, 2020-09, Vol.754, p.137668, Article 137668

2020

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Origin of Enantioselectivity in the Propargylation of Aromatic Aldehydes Catalyzed by Helical N-Oxides

Journal of the American Chemical Society, 2012-02, Vol.134 (6), p.3095-3102

2012

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DFT study on synergetic Ir/Cu-metallaphotoredox catalyzed trifluoromethylation of aryl bromides

Molecular catalysis, 2021-01, Vol.499, p.111294, Article 111294

2021

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Solvent dependence of the stereoselectivity in bipyridine N,N′-dioxide catalyzed allylation of aromatic aldehydes: A computational perspective

Molecular catalysis, 2020-03, Vol.483, p.110712, Article 110712

2020

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Dual Chalcogen–Chalcogen Bonding Catalysis

Journal of the American Chemical Society, 2020-02, Vol.142 (6), p.3117-3124

2020

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A revisit to proline-catalyzed aldol reaction: Interactions with acetone and catalytic mechanisms

Journal of molecular catalysis. A, Chemical, 2010-02, Vol.316 (1), p.112-117

2010

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Interactions of Zn(II) with single and multiple amino acids. Insights from density functional and ab initio calculations

Journal of mass spectrometry., 2012-10, Vol.47 (10), p.1372-1383

2012

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Construction of Vicinal Quaternary Carbon Stereocenters Through Diastereo‐ and Enantioselective Oxidative 1,6‐Conjugate Addition

Angewandte Chemie International Edition, 2021-08, Vol.60 (34), p.18499-18503

International ed. in English, 2021

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Construction of Ideological and Political Education in Quantum Chemistry Course: Several Teaching Cases to Reveal the Universal Connection of Things

Daxue huaxue, 2024, p.2311032

2024

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Theoretical study of the bifunctional-urea catalyzed Michael reaction of 1,3-dicarbonyl compounds and nitroolefins: reaction mechanism and enantioselectivity

Tetrahedron: asymmetry, 2006-07, Vol.17 (11), p.1611-1616

2006

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New insight into Cu-catalyzed borocarbonylative coupling reactions of alkenes with alkyl halides

Journal of catalysis, 2023-02, Vol.418, p.263-272

2023

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The Dual Role of Gold(I) Complexes in Photosensitizer‐Free Visible‐Light‐Mediated Gold‐Catalyzed 1,2‐Difunctionalization of Alkynes: A DFT Study

Chemistry : a European journal, 2018-09, Vol.24 (53), p.14119-14126

2018

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Computational Clarification of Synergetic Ru II /Cu I -Metallaphotoredox Catalysis in C(sp 3 )–N Cross-Coupling Reactions of Alkyl Redox-Active Esters with Anilines

ACS catalysis, 2020-05, Vol.10 (9), p.5030-5041

2020

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New insights into the mechanism of synergetic photoredox/copper()-catalyzed carbocyanation of 1,3-dienes: a DFT study

Chemical science (Cambridge), 2023-05, Vol.14 (17), p.458-4588

2023

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Theoretical Insight into the Mechanism and Selectivity in Manganese-Catalyzed Oxidative C(sp3)–H Methylation

ACS catalysis, 2022-02, Vol.12 (4), p.2290-2301

2022

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Interview Report of Purine Family

Daxue huaxue, 2022, p.2207072

2022

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Warm-Boy-Like Graphene in the Winter Olympics

Daxue huaxue, 2022, p.2207088

2022

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Fluorescence enhancement upon magnesium hydroxide micro/nanoparticles in the detection of ferulic acid

Microchemical journal, 2024-12, Vol.207, p.111834, Article 111834

2024

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A Density Functional Theory Study of the Water−Gas Shift Reaction Promoted by Neutral, Anionic, and Cationic Gold Dimers

Journal of physical chemistry. C, 2009-04, Vol.113 (15), p.6215-6220

2009

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Computational Study on Why and How of Nonconventional meta-C–H Arylation of Electron-Rich Arenes via Pd/Quinoxaline-Based Ligand/Norbornene Cooperative Catalysis

Journal of organic chemistry, 2020-05, Vol.85 (9), p.5995-6007

2020

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Adsorption of formaldehyde molecule on the pristine and silicon-doped boron nitride nanotubes

Chemical physics letters, 2008-12, Vol.467 (1), p.131-135

2008

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Theoretical Insight into the Mechanism and Origin of Divergent Reactivity in the Synthesis of Benzo-Heterocycles from o‑Alkynylbenzamides Catalyzed by Gold and Platinum Complexes

Journal of organic chemistry, 2019-08, Vol.84 (15), p.9705-9713

2019

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DFT Study on Photosensitizer-Free Visible-Light-Mediated Au-Catalyzed cis-Difunctionalization of Alkynes: Mechanism and Selectivities as Compared to Rh Catalysis

Journal of organic chemistry, 2019-12, Vol.84 (24), p.16171-16182

2019

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Computational study on the prototropic tautomerism between simple oxo-, thio-, carbon-, aza-hydrazones, and their respective azines

Kinetic resolution of cyclic benzylic azides enabled by site- and enantioselective C(sp3)–H oxidation

Mechanistic study of Selectfluor-mediated digold-catalyzed Csp3-Csp2 coupling reaction

Origin of Enantioselectivity in the Propargylation of Aromatic Aldehydes Catalyzed by Helical N-Oxides

DFT study on synergetic Ir/Cu-metallaphotoredox catalyzed trifluoromethylation of aryl bromides

Solvent dependence of the stereoselectivity in bipyridine N,N′-dioxide catalyzed allylation of aromatic aldehydes: A computational perspective

Dual Chalcogen–Chalcogen Bonding Catalysis

A revisit to proline-catalyzed aldol reaction: Interactions with acetone and catalytic mechanisms

Interactions of Zn(II) with single and multiple amino acids. Insights from density functional and ab initio calculations

Construction of Vicinal Quaternary Carbon Stereocenters Through Diastereo‐ and Enantioselective Oxidative 1,6‐Conjugate Addition

Construction of Ideological and Political Education in Quantum Chemistry Course: Several Teaching Cases to Reveal the Universal Connection of Things

Theoretical study of the bifunctional-urea catalyzed Michael reaction of 1,3-dicarbonyl compounds and nitroolefins: reaction mechanism and enantioselectivity

New insight into Cu-catalyzed borocarbonylative coupling reactions of alkenes with alkyl halides

The Dual Role of Gold(I) Complexes in Photosensitizer‐Free Visible‐Light‐Mediated Gold‐Catalyzed 1,2‐Difunctionalization of Alkynes: A DFT Study

Computational Clarification of Synergetic Ru II /Cu I -Metallaphotoredox Catalysis in C(sp 3 )–N Cross-Coupling Reactions of Alkyl Redox-Active Esters with Anilines

New insights into the mechanism of synergetic photoredox/copper()-catalyzed carbocyanation of 1,3-dienes: a DFT study

Theoretical Insight into the Mechanism and Selectivity in Manganese-Catalyzed Oxidative C(sp3)–H Methylation

Interview Report of Purine Family

Warm-Boy-Like Graphene in the Winter Olympics

Fluorescence enhancement upon magnesium hydroxide micro/nanoparticles in the detection of ferulic acid

A Density Functional Theory Study of the Water−Gas Shift Reaction Promoted by Neutral, Anionic, and Cationic Gold Dimers

Computational Study on Why and How of Nonconventional meta-C–H Arylation of Electron-Rich Arenes via Pd/Quinoxaline-Based Ligand/Norbornene Cooperative Catalysis

Adsorption of formaldehyde molecule on the pristine and silicon-doped boron nitride nanotubes

Theoretical Insight into the Mechanism and Origin of Divergent Reactivity in the Synthesis of Benzo-Heterocycles from o‑Alkynylbenzamides Catalyzed by Gold and Platinum Complexes

DFT Study on Photosensitizer-Free Visible-Light-Mediated Au-Catalyzed cis-Difunctionalization of Alkynes: Mechanism and Selectivities as Compared to Rh Catalysis

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