Current Publications

Wiggle150: Benchmarking Density Functionals and Neural Network Potentials on Highly Strained Conformers

Authors: Rebecca R. Brew, Ian A. NelsonMeruyert, Binayeva, Amlan S. Nayak, Wyatt J. Simmons, Joseph J. Gair*, Corin C. Wagen*
Publication date: 2025
Journal: Journal of Chemical Theory and Computation
Volume: 21
Issue: 8
Pages: 3922–3929
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benchmarking highly strained conformers

Publications Prior to MSU

12. Enantioselective Ring Opening of Azetidines via Charge Recognition in Hydrogen-Bond-Donor Catalysis

Joseph J. Gair‡, Mayuko Isomura‡, Corin C. Wagen, Daniel A. Strassfeld, Eric N. Jacobsen J. Am. Chem. Soc. 2025, 147, 6378-6383.

View Link, Preprint, Highlight in OPRD, Highlight in SynFacts, Highlight in Nature Synthesis

11. Total Synthesis of (+)-Discorhabdin V

Brandon C. Derstine, Alina J. Cook, James D. Collings, Joseph J. Gair, Josep Saurí, Eugene E. Kwan, and Noah Z. Burns Angewandte Chemie International Edition 2024, 63, e202315284.

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10. Insight into the Scope and Mechanism for Transmetalation of Hydrocarbyl Ligands on Complexes Relevant to C–H Activation

Natalie H. Chan, Joseph J. Gair, Michael Roy, Yehao Qiu, Duo-Sheng Wang, Landon J. Durak,
Liwei Chen, Alexander S. Filatov, and Jared C. Lewis Organometallics 2021, 40, 6-10.
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9. Palladium-Catalyzed Hydrodefluorination of Fluoroarenes

Joseph J. Gair, Ronald L. Grey*, Simon Giroux, and Michael A. Brodney Org. Synth. 2021, 98, 131-146.
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8. Catalytic Behavior of Mono-N-Protected Amino-Acid Ligands in
Ligand-Accelerated C-H Activation by Palladium(II)

Chase A. Salazar, Joseph J. Gair, Kaylin N. Flesch, Ilia A. Guzei, Jared C. Lewis, and Shannon S. Stahl Angew. Chem. Int. Ed. 2020, 59 (27), 10873 –10877.
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7. Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C−H Functionalization

Joseph J. Gair, Brandon E. Haines, Alexander S. Filatov, Djamaladdin G. Musaev, and Jared C. Lewis ACS Catal. 2019, 9 (12), 11386-11397.
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6. Palladium Catalyzed Hydrodefluorination of Fluoro-(hetero)arenes

Joseph J. Gair,Ronald L. Grey, Simon Giroux, and Michael A. Brodney Org. Lett. 2019, 21 (7), 2482-2487.
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5. Synthesis, Characterization, and Theoretical Investigation of a Transition State Analogue for Proton Transfer during C−H
Activation by a Rhodium-Pincer Complex

Joseph J. Gair, Yehao Qiu, Rahul L. Khade, Natalie H. Chan, Alexander S. Filatov, Yong Zhang, and Jared C. Lewis Organometallics 2019, 38 (7), 1407−1412.
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4. Rhodium Complexes of 2,6-Bis(dialkylphosphinomethyl)pyridines: Improved C−H Activation, Expanded Reaction Scope, and Catalytic
Direct Arylation

Joseph J. Gair, Yehao Qiu, Natalie H. Chan, Alexander S. Filatov, and Jared C. Lewis* Organometallics 2017, 36 (24), 4699-4706.
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3. Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization

Joseph J. Gair, Brandon E. Haines, Alexander S. Filatov, Djamaladdin G. Musaev and Jared C. Lewis Chem. Sci. 2017, 8, 5746-5756.
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2. Reaction of a polyphosphino ruthenium(II) acetate complex with Grignard reagents: Halogenation, alkylation and b-elimination

Joseph J Gair, Alex J Young, Jeremiah J Scepaniak, Peter M Simone, Chen T Chau, Alicia J Peterson, Elizabeth M Nesset Ferguson, Williamson N Oloo, Daniel T Welma, Jonathan I Siverson, Lothar M Stahl, Chris P Schaller Journal of Organometallic Chemistry 2016, 801, 42-47.
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1. Nickel-Catalyzed Direct Addition of Diorganozinc Reagents to Phthalimides: Selective Formation of Gamma-Hydroxylactams

Joseph M. Dennis, Catherine M. Calyore, Jessica S. Sjoholm, J. Patrick Lutz, Joseph J. Gair, Jeffrey B. Johnson Synlett of 2013, 23 (19), 2567-2570.
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