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Mechanism of Rhodium-Catalyzed C–H Functionalization: Advances in Theoretical Investigation

Accounts of chemical research, 2017-11, Vol.50 (11), p.2799-2808

2017

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Mechanistic view of Ru-catalyzed C-H bond activation and functionalization: computational advances

Chemical Society reviews, 2018-10, Vol.47 (2), p.7552-7576

2018

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Reaction scope and mechanistic insights of nickel-catalyzed migratory Suzuki–Miyaura cross-coupling

Nature communications, 2020-01, Vol.11 (1), p.417-417, Article 417

2020

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Role of TEMPO in Enhancing Permanganate Oxidation toward Organic Contaminants

Environmental science & technology, 2021-06, Vol.55 (11), p.7681-7689

2021

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Rhodium‐Catalyzed Direct ortho‐Arylation of Anilines

Angewandte Chemie International Edition, 2024-07, Vol.63 (30), p.e202403553-n/a

International ed. in English, 2024

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Theoretical Advances of Transition Metals Mediated C―H Bonds Cleavage

Wuli huaxue xuebao, 2019, Vol.35 (9), p.940-953

2019

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Direct Observation of Reduction of Cu(II) to Cu(I) by Terminal Alkynes

Journal of the American Chemical Society, 2014-01, Vol.136 (3), p.924-926

2014

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Is the metal involved or not? A computational study of Cu(I)-catalyzed [4 + 1] annulation of vinyl indole and carbene precursor

Chinese chemical letters, 2022-04, Vol.33 (4), p.2031-2035

2022

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Ir(III)/Ir(V) or Ir(I)/Ir(III) Catalytic Cycle? Steric-Effect-Controlled Mechanism for the para-C–H Borylation of Arenes

Organometallics, 2017-06, Vol.36 (11), p.2107-2115

2017

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Mechanism of Synergistic Cu(II)/Cu(I)-Mediated Alkyne Coupling: Dinuclear 1,2-Reductive Elimination after Minimum Energy Crossing Point

Journal of organic chemistry, 2016-02, Vol.81 (4), p.1654-1660

2016

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Mononuclear or Dinuclear? Mechanistic Study of the Zinc‐Catalyzed Oxidative Coupling of Aldehydes and Acetylenes

Chemistry : a European journal, 2017-05, Vol.23 (26), p.6419-6425

2017

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Cu(II)–Cu(I) Synergistic Cooperation to Lead the Alkyne C–H Activation

Journal of the American Chemical Society, 2014-12, Vol.136 (48), p.16760-16763

2014

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C–H bond cleavage occurring on a Rh( v ) intermediate: a theoretical study of Rh-catalyzed arene azidation

Catalysis science & technology, 2018, Vol.8 (6), p.1645-1651

2018

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C(sp2)–C(sp2) Reductive Elimination from Well-Defined Diarylgold(III) Complexes

Organometallics, 2017-12, Vol.36 (24), p.4727-4740

2017

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Theoretical Study of How Electronic Effect of Substituent Affects Regioselectivity of C—Si Reductive Elimination

Yŏujī huàxué, 2023-10, Vol.43 (10), p.3608

2023

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Oxidative cyclopalladation triggers the hydroalkylation of alkynes

Chinese chemical letters, 2023-10, Vol.34 (10), p.108339-152, Article 108339

2023

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Valve turning towards on-cycle in cobalt-catalyzed Negishi-type cross-coupling

Nature communications, 2023-08, Vol.14 (1), p.4638-4638, Article 4638

2023

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Geometry, stability and aromaticity of β-diketiminate-coordinated alkaline-earth compounds

Chinese chemical letters, 2019-12, Vol.30 (12), p.2249-2253

2019

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Computational Advances of Rh-Catalyzed C-H Functionalization: From Elementary Reaction to Mechanism

1st ed. 2021., 2021

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Zinc Promoted Cross‐Electrophile Sulfonylation to Access Alkyl–Alkyl Sulfones

Advanced science, 2024-08, Vol.11 (32), p.e2406228-n/a

2024

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From Mechanistic Study to Chiral Catalyst Optimization: Theoretical Insight into Binaphthophosphepine-catalyzed Asymmetric Intramolecular [3 + 2] Cycloaddition

Scientific reports, 2017-08, Vol.7 (1), p.7619-13, Article 7619

2017

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Overlooked interaction between redox-mediator and bisphenol-A in permanganate oxidation

Environmental science and ecotechnology, 2024-09, Vol.21, p.100421-100421, Article 100421

2024

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Theoretical prediction on the reactivity of the Co-mediated intramolecular Pauson-Khand reaction for constructing bicyclo-skeletons in natural products

Chinese chemical letters, 2019-04, Vol.30 (4), p.889-894

2019

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Theoretical study of FMO adjusted C-H cleavage and oxidative addition in nickel catalysed C-H arylation

Communications chemistry, 2019-03, Vol.2 (1), Article 31

2019

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Nickel-Catalyzed C–F/N–H Annulation of Aromatic Amides with Alkynes: Activation of C–F Bonds under Mild Reaction Conditions

Journal of the American Chemical Society, 2020-10, Vol.142 (41), p.17306-17311

2020

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Mechanism of Rhodium-Catalyzed C–H Functionalization: Advances in Theoretical Investigation

Mechanistic view of Ru-catalyzed C-H bond activation and functionalization: computational advances

Reaction scope and mechanistic insights of nickel-catalyzed migratory Suzuki–Miyaura cross-coupling

Role of TEMPO in Enhancing Permanganate Oxidation toward Organic Contaminants

Rhodium‐Catalyzed Direct ortho‐Arylation of Anilines

Theoretical Advances of Transition Metals Mediated C―H Bonds Cleavage

Direct Observation of Reduction of Cu(II) to Cu(I) by Terminal Alkynes

Is the metal involved or not? A computational study of Cu(I)-catalyzed [4 + 1] annulation of vinyl indole and carbene precursor

Ir(III)/Ir(V) or Ir(I)/Ir(III) Catalytic Cycle? Steric-Effect-Controlled Mechanism for the para-C–H Borylation of Arenes

Mechanism of Synergistic Cu(II)/Cu(I)-Mediated Alkyne Coupling: Dinuclear 1,2-Reductive Elimination after Minimum Energy Crossing Point

Mononuclear or Dinuclear? Mechanistic Study of the Zinc‐Catalyzed Oxidative Coupling of Aldehydes and Acetylenes

Cu(II)–Cu(I) Synergistic Cooperation to Lead the Alkyne C–H Activation

C–H bond cleavage occurring on a Rh( v ) intermediate: a theoretical study of Rh-catalyzed arene azidation

C(sp2)–C(sp2) Reductive Elimination from Well-Defined Diarylgold(III) Complexes

Theoretical Study of How Electronic Effect of Substituent Affects Regioselectivity of C—Si Reductive Elimination

Oxidative cyclopalladation triggers the hydroalkylation of alkynes

Valve turning towards on-cycle in cobalt-catalyzed Negishi-type cross-coupling

Geometry, stability and aromaticity of β-diketiminate-coordinated alkaline-earth compounds

Computational Advances of Rh-Catalyzed C-H Functionalization: From Elementary Reaction to Mechanism

Zinc Promoted Cross‐Electrophile Sulfonylation to Access Alkyl–Alkyl Sulfones

From Mechanistic Study to Chiral Catalyst Optimization: Theoretical Insight into Binaphthophosphepine-catalyzed Asymmetric Intramolecular [3 + 2] Cycloaddition

Overlooked interaction between redox-mediator and bisphenol-A in permanganate oxidation

Theoretical prediction on the reactivity of the Co-mediated intramolecular Pauson-Khand reaction for constructing bicyclo-skeletons in natural products

Theoretical study of FMO adjusted C-H cleavage and oxidative addition in nickel catalysed C-H arylation

Nickel-Catalyzed C–F/N–H Annulation of Aromatic Amides with Alkynes: Activation of C–F Bonds under Mild Reaction Conditions

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