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Anthracene–Triphenylamine-Based Platinum(II) Metallacages as Synthetic Light-Harvesting Assembly

Journal of the American Chemical Society, 2021-02, Vol.143 (7), p.2908-2919

2021

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Sequential C-F bond functionalizations of trifluoroacetamides and acetates via spin-center shifts

Science (American Association for the Advancement of Science), 2021-03, Vol.371 (6535), p.1232-1240

2021

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Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics

Science (American Association for the Advancement of Science), 2019-12, Vol.366 (6472), p.1509-1513

2019

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Computational Redesign of a PETase for Plastic Biodegradation under Ambient Condition by the GRAPE Strategy

ACS catalysis, 2021-02, Vol.11 (3), p.1340-1350

2021

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Asymmetric phosphoric acid-catalyzed four-component Ugi reaction

Science (American Association for the Advancement of Science), 2018-09, Vol.361 (6407)

2018

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Dynamics, transition states, and timing of bond formation in Diels–Alder reactions

Proceedings of the National Academy of Sciences - PNAS, 2012-08, Vol.109 (32), p.12860-12865

2012

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Differentiation and functionalization of remote C-H bonds in adjacent positions

Nature chemistry, 2020-04, Vol.12 (4), p.399

2020

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Nickel-Catalyzed Activation of Acyl C−O Bonds of Methyl Esters

Angewandte Chemie (International ed.), 2016-02, Vol.55 (8), p.2810-2814

International ed. in English, 2016

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Metal-free oxidation of aromatic carbon-hydrogen bonds through a reverse-rebound mechanism

Nature (London), 2013-07, Vol.499 (7457), p.192-196

2013

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An Exception to the Carothers Equation Caused by the Accelerated Chain Extension in a Pd/Ag Cocatalyzed Cross Dehydrogenative Coupling Polymerization

Journal of the American Chemical Society, 2022-02, Vol.144 (5), p.2311-2322

2022

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Bifurcations on Potential Energy Surfaces of Organic Reactions

Angewandte Chemie (International ed.), 2008-09, Vol.47 (40), p.7592-7601

2008

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Mild Ring‐Opening 1,3‐Hydroborations of Non‐Activated Cyclopropanes

Angewandte Chemie International Edition, 2018-12, Vol.57 (51), p.16861-16865

International ed. in English, 2018

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Cycloaddition Reactions of Butadiene and 1,3-Dipoles to Curved Arenes, Fullerenes, and Nanotubes: Theoretical Evaluation of the Role of Distortion Energies on Activation Barriers

Chemistry : a European journal, 2009-12, Vol.15 (47), p.13219-13231

2009

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Iterative approach to computational enzyme design

Proceedings of the National Academy of Sciences - PNAS, 2012-03, Vol.109 (10), p.3790-3795

2012

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Metal‐Free Directed C−H Borylation of Pyrroles

Angewandte Chemie International Edition, 2021-04, Vol.60 (15), p.8500-8504

International ed. in English, 2021

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Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction

Science (American Association for the Advancement of Science), 2010-07, Vol.329 (5989), p.309-313

2010

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A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion

Nature communications, 2018-06, Vol.9 (1), p.2487-12, Article 2487

2018

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Synthetic, Mechanistic, and Biological Interrogation of Ginkgo biloba Chemical Space En Route to (−)-Bilobalide

Journal of the American Chemical Society, 2020-10, Vol.142 (43), p.18599-18618

2020

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A Hierarchy of Homodesmotic Reactions for Thermochemistry

Journal of the American Chemical Society, 2009-02, Vol.131 (7), p.2547-2560

2009

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Ionic and Neutral Mechanisms for C–H Bond Silylation of Aromatic Heterocycles Catalyzed by Potassium tert-Butoxide

Journal of the American Chemical Society, 2017-05, Vol.139 (20), p.6880-6887

2017

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Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59

Proceedings of the National Academy of Sciences - PNAS, 2012-06, Vol.109 (26), p.10358-10363

2012

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Origins of stereoselectivity in evolved ketoreductases

Proceedings of the National Academy of Sciences - PNAS, 2015-12, Vol.112 (51), p.E7065-E7072

2015

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Bioinspired Asymmetric Total Synthesis of Emeriones A–C

Angewandte Chemie (International ed.), 2022-08, Vol.61 (32), p.e202205878-n/a

International ed. in English, 2022

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Synthesis of [18F]Fluoroarenes by Nucleophilic Radiofluorination of N‐Arylsydnones

Angewandte Chemie International Edition, 2017-10, Vol.56 (42), p.13006-13010

International ed. in English, 2017

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Computational Exploration of Ambiphilic Reactivity of Azides and Sustmann’s Paradigmatic Parabola

Journal of organic chemistry, 2021-04, Vol.86 (8), p.5792-5804

2021

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Anthracene–Triphenylamine-Based Platinum(II) Metallacages as Synthetic Light-Harvesting Assembly

Sequential C-F bond functionalizations of trifluoroacetamides and acetates via spin-center shifts

Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics

Computational Redesign of a PETase for Plastic Biodegradation under Ambient Condition by the GRAPE Strategy

Asymmetric phosphoric acid-catalyzed four-component Ugi reaction

Dynamics, transition states, and timing of bond formation in Diels–Alder reactions

Differentiation and functionalization of remote C-H bonds in adjacent positions

Nickel-Catalyzed Activation of Acyl C−O Bonds of Methyl Esters

Metal-free oxidation of aromatic carbon-hydrogen bonds through a reverse-rebound mechanism

An Exception to the Carothers Equation Caused by the Accelerated Chain Extension in a Pd/Ag Cocatalyzed Cross Dehydrogenative Coupling Polymerization

Bifurcations on Potential Energy Surfaces of Organic Reactions

Mild Ring‐Opening 1,3‐Hydroborations of Non‐Activated Cyclopropanes

Cycloaddition Reactions of Butadiene and 1,3-Dipoles to Curved Arenes, Fullerenes, and Nanotubes: Theoretical Evaluation of the Role of Distortion Energies on Activation Barriers

Iterative approach to computational enzyme design

Metal‐Free Directed C−H Borylation of Pyrroles

Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction

A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion

Synthetic, Mechanistic, and Biological Interrogation of Ginkgo biloba Chemical Space En Route to (−)-Bilobalide

A Hierarchy of Homodesmotic Reactions for Thermochemistry

Ionic and Neutral Mechanisms for C–H Bond Silylation of Aromatic Heterocycles Catalyzed by Potassium tert-Butoxide

Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59

Origins of stereoselectivity in evolved ketoreductases

Bioinspired Asymmetric Total Synthesis of Emeriones A–C

Synthesis of [18F]Fluoroarenes by Nucleophilic Radiofluorination of N‐Arylsydnones

Computational Exploration of Ambiphilic Reactivity of Azides and Sustmann’s Paradigmatic Parabola

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