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Computational predictions of substituted benzyne and indolyne regioselectivities

Tetrahedron letters, 2015-06, Vol.56 (23), p.3511-3514

2015

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Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

Journal of the American Chemical Society, 2012-10, Vol.134 (39), p.16197-16206

2012

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DFT-Guided Phosphoric-Acid-Catalyzed Atroposelective Arene Functionalization of Nitrosonaphthalene

Chem, 2020-08, Vol.6 (8), p.2046-2059

2020

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Origin of substituent effects in edge-to-face aryl-aryl interactions

Molecular physics, 2009-01, Vol.107 (8-12), p.749-760

2009

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Mechanisms and Dynamics of Reactions Involving Entropic Intermediates

Trends in chemistry, 2019-04, Vol.1 (1), p.22-34

2019

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Computational investigations of the stereoselectivities of proline-related catalysts for aldol reactions

Journal of molecular catalysis. A, Chemical, 2010-06, Vol.324 (1), p.31-38

2010

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The role of CuI in the siloxane-mediated Pd-catalyzed cross-coupling reactions of aryl iodides with aryl lithium reagents

Chinese chemical letters, 2021-01, Vol.32 (1), p.441-444

2021

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Quantitative evaluation of the lengths of homobifunctional protein cross‐linking reagents used as molecular rulers

Protein science, 2001-07, Vol.10 (7), p.1293-1304

2001

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Sterically Unprotected Nucleophilic Boron Cluster Reagents

Chem, 2019-09, Vol.5 (9), p.2461-2469

2019

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Kinetic feasibility of nitroxyl reduction by physiological reductants and biological implications

Free radical biology & medicine, 2009-10, Vol.47 (8), p.1130-1139

2009

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The Dynamics of Chemical Reactions: Atomistic Visualizations of Organic Reactions, and Homage to van ’t Hoff

Chemistry : a European journal, 2018-03, Vol.24 (16), p.3916-3924

2018

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Multiple roles of silver salts in palladium-catalyzed C–H activations

Journal of organometallic chemistry, 2018-06, Vol.864, p.19-25

2018

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Possible singlet oxygen generation from the photolysis of indigo dyes in methanol, DMSO, water, and ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate

Tetrahedron, 2006-11, Vol.62 (46), p.10771-10776

2006

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Asymmetric Desymmetrization of Oxetanes for the Synthesis of Chiral Tetrahydrothiophenes and Tetrahydroselenophenes

Angewandte Chemie International Edition, 2019-12, Vol.58 (50), p.18055-18060

International ed. in English, 2019

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Computational Enzyme Design

Angewandte Chemie (International ed.), 2013-05, Vol.52 (22), p.5700-5725

International ed. in English, 2013

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A Torquoselective Extrusion of Isoxazoline N-Oxides. Application to the Synthesis of Aryl Vinyl and Divinyl Ketones for Nazarov Cyclization

Tetrahedron, 2009-04, Vol.65 (16), p.3165-3179

2009

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SAM-dependent enzyme-catalysed pericyclic reactions in natural product biosynthesis

Nature (London), 2017-09, Vol.549 (7673), p.502-506

2017

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Cinchona Urea-Catalyzed Asymmetric Sulfa-Michael Reactions: The Brønsted Acid−Hydrogen Bonding Model

Journal of the American Chemical Society, 2016-07, Vol.138 (29), p.9041-9044

2016

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Hyperconjugative, Secondary Orbital, Electrostatic, and Steric Effects on the Reactivities and Endo and Exo Stereoselectivities of Cyclopropene Diels–Alder Reactions

Journal of the American Chemical Society, 2016-12, Vol.138 (51), p.16731-16736

2016

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Enzyme-Catalyzed Inverse-Electron Demand Diels–Alder Reaction in the Biosynthesis of Antifungal Ilicicolin H

Journal of the American Chemical Society, 2019-04, Vol.141 (14), p.5659-5663

2019

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Conversion of amides to esters by the nickel-catalysed activation of amide C-N bonds

Nature (London), 2015-08, Vol.524 (7563), p.79-83

2015

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Diels–Alder Reactivities of Benzene, Pyridine, and Di‑, Tri‑, and Tetrazines: The Roles of Geometrical Distortions and Orbital Interactions

Journal of the American Chemical Society, 2016-02, Vol.138 (5), p.1660-1667

2016

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Ligand-accelerated enantioselective methylene C(sp³)-H bond activation

Science (American Association for the Advancement of Science), 2016-09, Vol.353 (6303), p.1023-1027

2016

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Intramolecular C(sp3)–H Bond Oxygenation by Transition‐Metal Acylnitrenoids

Angewandte Chemie (International ed.), 2020-11, Vol.59 (48), p.21706-21710

International ed. in English, 2020

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Atroposelective Synthesis of Axially Chiral N‐Arylpyrroles by Chiral‐at‐Rhodium Catalysis

Angewandte Chemie (International ed.), 2020-08, Vol.59 (32), p.13552-13556

International ed. in English, 2020

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Computational predictions of substituted benzyne and indolyne regioselectivities

Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis

DFT-Guided Phosphoric-Acid-Catalyzed Atroposelective Arene Functionalization of Nitrosonaphthalene

Origin of substituent effects in edge-to-face aryl-aryl interactions

Mechanisms and Dynamics of Reactions Involving Entropic Intermediates

Computational investigations of the stereoselectivities of proline-related catalysts for aldol reactions

The role of CuI in the siloxane-mediated Pd-catalyzed cross-coupling reactions of aryl iodides with aryl lithium reagents

Quantitative evaluation of the lengths of homobifunctional protein cross‐linking reagents used as molecular rulers

Sterically Unprotected Nucleophilic Boron Cluster Reagents

Kinetic feasibility of nitroxyl reduction by physiological reductants and biological implications

The Dynamics of Chemical Reactions: Atomistic Visualizations of Organic Reactions, and Homage to van ’t Hoff

Multiple roles of silver salts in palladium-catalyzed C–H activations

Possible singlet oxygen generation from the photolysis of indigo dyes in methanol, DMSO, water, and ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate

Asymmetric Desymmetrization of Oxetanes for the Synthesis of Chiral Tetrahydrothiophenes and Tetrahydroselenophenes

Computational Enzyme Design

A Torquoselective Extrusion of Isoxazoline N-Oxides. Application to the Synthesis of Aryl Vinyl and Divinyl Ketones for Nazarov Cyclization

SAM-dependent enzyme-catalysed pericyclic reactions in natural product biosynthesis

Cinchona Urea-Catalyzed Asymmetric Sulfa-Michael Reactions: The Brønsted Acid−Hydrogen Bonding Model

Hyperconjugative, Secondary Orbital, Electrostatic, and Steric Effects on the Reactivities and Endo and Exo Stereoselectivities of Cyclopropene Diels–Alder Reactions

Enzyme-Catalyzed Inverse-Electron Demand Diels–Alder Reaction in the Biosynthesis of Antifungal Ilicicolin H

Conversion of amides to esters by the nickel-catalysed activation of amide C-N bonds

Diels–Alder Reactivities of Benzene, Pyridine, and Di‑, Tri‑, and Tetrazines: The Roles of Geometrical Distortions and Orbital Interactions

Ligand-accelerated enantioselective methylene C(sp³)-H bond activation

Intramolecular C(sp3)–H Bond Oxygenation by Transition‐Metal Acylnitrenoids

Atroposelective Synthesis of Axially Chiral N‐Arylpyrroles by Chiral‐at‐Rhodium Catalysis

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