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Tris(pentafluorophenyl)borane‐Catalyzed Carbenium Ion Generation and Autocatalytic Pyrazole Synthesis—A Computational and Experimental Study

Angewandte Chemie (International ed.), 2021-11, Vol.60 (46), p.24395-24399

International ed. in English, 2021

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Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd–Pd Bond Cleavage

Journal of the American Chemical Society, 2012-07, Vol.134 (29), p.12002-12009

2012

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A Theoretical Study on the Protodeauration Step of the Gold(I)-Catalyzed Organic Reactions

Organometallics, 2015-07, Vol.34 (13), p.3184-3193

2015

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Understanding the Influence of Donor‐Acceptor Diazo Compounds on the Catalyst Efficiency of B(C6F5)3 Towards Carbene Formation

Chemistry : a European journal, 2022-02, Vol.28 (11), p.e202104376-n/a

2022

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Gold‐Catalyzed Regiospecific Annulation of Unsymmetrically Substituted 1,5‐Diynes for the Precise Synthesis of Bispentalenes

Chemistry : a European journal, 2019-09, Vol.25 (52), p.12180-12186

2019

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Subtle Balance of Ligand Steric Effects in Stille Transmetalation

Journal of the American Chemical Society, 2009-10, Vol.131 (39), p.13981-13991

2009

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DFT Study on the Mechanism of the Activation and Cleavage of CO2 by (NHC)CuEPh3 (E = Si, Ge, Sn)

Organometallics, 2011-03, Vol.30 (6), p.1340-1349

2011

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Mechanism of Pd-Catalyzed Ar–Ar Bond Formation Involving Ligand-Directed C–H Arylation and Diaryliodonium Oxidants: Computational Studies of Orthopalladation at Binuclear Pd(II) Centers, Oxidation To Form Binuclear Palladium(III) Species, and Ar···Ar Reductive Coupling

Organometallics, 2013-01, Vol.32 (2), p.544-555

2013

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Organoactinides Promote the Dimerization of Aldehydes: Scope, Kinetics, Thermodynamics, and Calculation Studies

Journal of the American Chemical Society, 2011-02, Vol.133 (5), p.1341-1356

2011

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Computational Study of Intramolecular Arene Palladation at a Palladium(IV) Center

Organometallics, 2015-03, Vol.34 (6), p.1085-1090

2015

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DFT Studies on the Carboxylation of the C–H Bond of Heteroarenes by Copper(I) Complexes

Organometallics, 2011-11, Vol.30 (22), p.6218-6224

2011

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Cu-Catalyzed Fluorination of Diaryliodonium Salts with KF

Organic letters, 2013-10, Vol.15 (19), p.5134-5137

2013

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Reduction of a Chelating Bis(NHC) Palladium(II) Complex to [{μ-bis(NHC)}₂Pd₂H]⁺: A Terminal Hydride in a Binuclear Palladium(I) Species Formed under Catalytically Relevant Conditions

Angewandte Chemie (International ed.), 2010-08, Vol.49 (36), p.6315-6318

2010

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Site-Selective Csp3 –Csp/Csp3 –Csp2 Cross-Coupling Reactions Using Frustrated Lewis Pairs

Journal of the American Chemical Society, 2021-03, Vol.143 (11), p.4451-4464

2021

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DFT Mechanistic Investigation into BF3‑Catalyzed Alcohol Oxidation by a Hypervalent Iodine(III) Compound

ACS catalysis, 2019-07, Vol.9 (7), p.6510-6521

2019

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Dimethylcuprate Undergoes a Dyotropic Rearrangement

Chemistry : a European journal, 2010-03, Vol.16 (9), p.2674-2678

2010

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Rhodium-Catalyzed C−C Coupling Reactions: Mechanistic Considerations

Organometallics, 2008-09, Vol.27 (18), p.4758-4771

2008

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A Computational Mechanistic Investigation into Reduction of Gold(III) Complexes by Amino Acid Glycine: A New Variant for Amine Oxidation

Chemistry : a European journal, 2018-06, Vol.24 (33), p.8361-8368

2018

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A Comparison of N2 Cleavage in Schrock's Mo[N3N] and Laplaza-Cummins' Mo[N(R)Ar]3 Systems

Chemistry : a European journal, 2009-01, Vol.15 (3), p.646-655

2009

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A Modified Cationic Mechanism for PdCl2‑Catalyzed Transformation of a Homoallylic Alcohol to an Allyl Ether

Organometallics, 2019-08, Vol.38 (15), p.2953-2962

2019

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Reduction of a platinum(iv) prodrug model by sulfur containing biological reductants: computational mechanistic elucidation

Chemical communications (Cambridge, England), 2018, Vol.54 (74), p.10491-10494

2018

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Mechanistic Investigations of Cu-Catalyzed Fluorination of Diaryliodonium Salts: Elaborating the CuI/CuIII Manifold in Copper Catalysis

Organometallics, 2014-10, Vol.33 (19), p.5525-5534

2014

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Bismuth(III)-catalysed hydroalkylation of styrene with acetylacetone: a DFT-Based mechanistic study

Molecular physics, 2023-05, Vol.121 (9-10)

2023

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Disclosure of Some Obscure Mechanistic Aspects of the Copper-Catalyzed Click Reactions Involving N2 Elimination Promoted by the Use of Electron-Deficient Azides from a DFT Perspective

Organometallics, 2019-01, Vol.38 (2), p.256-267

2019

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Borane Catalyzed Selective Diazo Cross‐Coupling Towards Pyrazoles

Advanced synthesis & catalysis, 2022-02, Vol.364 (4), p.773-780

2022

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Tris(pentafluorophenyl)borane‐Catalyzed Carbenium Ion Generation and Autocatalytic Pyrazole Synthesis—A Computational and Experimental Study

Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd–Pd Bond Cleavage

A Theoretical Study on the Protodeauration Step of the Gold(I)-Catalyzed Organic Reactions

Understanding the Influence of Donor‐Acceptor Diazo Compounds on the Catalyst Efficiency of B(C6F5)3 Towards Carbene Formation

Gold‐Catalyzed Regiospecific Annulation of Unsymmetrically Substituted 1,5‐Diynes for the Precise Synthesis of Bispentalenes

Subtle Balance of Ligand Steric Effects in Stille Transmetalation

DFT Study on the Mechanism of the Activation and Cleavage of CO2 by (NHC)CuEPh3 (E = Si, Ge, Sn)

Mechanism of Pd-Catalyzed Ar–Ar Bond Formation Involving Ligand-Directed C–H Arylation and Diaryliodonium Oxidants: Computational Studies of Orthopalladation at Binuclear Pd(II) Centers, Oxidation To Form Binuclear Palladium(III) Species, and Ar···Ar Reductive Coupling

Organoactinides Promote the Dimerization of Aldehydes: Scope, Kinetics, Thermodynamics, and Calculation Studies

Computational Study of Intramolecular Arene Palladation at a Palladium(IV) Center

DFT Studies on the Carboxylation of the C–H Bond of Heteroarenes by Copper(I) Complexes

Cu-Catalyzed Fluorination of Diaryliodonium Salts with KF

Reduction of a Chelating Bis(NHC) Palladium(II) Complex to [{μ-bis(NHC)}₂Pd₂H]⁺: A Terminal Hydride in a Binuclear Palladium(I) Species Formed under Catalytically Relevant Conditions

Site-Selective Csp3 –Csp/Csp3 –Csp2 Cross-Coupling Reactions Using Frustrated Lewis Pairs

DFT Mechanistic Investigation into BF3‑Catalyzed Alcohol Oxidation by a Hypervalent Iodine(III) Compound

Dimethylcuprate Undergoes a Dyotropic Rearrangement

Rhodium-Catalyzed C−C Coupling Reactions: Mechanistic Considerations

A Computational Mechanistic Investigation into Reduction of Gold(III) Complexes by Amino Acid Glycine: A New Variant for Amine Oxidation

A Comparison of N2 Cleavage in Schrock's Mo[N3N] and Laplaza-Cummins' Mo[N(R)Ar]3 Systems

A Modified Cationic Mechanism for PdCl2‑Catalyzed Transformation of a Homoallylic Alcohol to an Allyl Ether

Reduction of a platinum(iv) prodrug model by sulfur containing biological reductants: computational mechanistic elucidation

Mechanistic Investigations of Cu-Catalyzed Fluorination of Diaryliodonium Salts: Elaborating the CuI/CuIII Manifold in Copper Catalysis

Bismuth(III)-catalysed hydroalkylation of styrene with acetylacetone: a DFT-Based mechanistic study

Disclosure of Some Obscure Mechanistic Aspects of the Copper-Catalyzed Click Reactions Involving N2 Elimination Promoted by the Use of Electron-Deficient Azides from a DFT Perspective

Borane Catalyzed Selective Diazo Cross‐Coupling Towards Pyrazoles

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