Articles by Corin Wagen | Synthical

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6

Efficient Black-Box Prediction of Hydrogen-Bond-Donor and Acceptor Strength

4 July 2025 by Corin Wagen

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Physics-Informed Machine Learning Enables Rapid Macroscopic pKa Prediction

2 June 2025 by Corin Wagen

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Physics-Informed Machine Learning Enables Rapid Macroscopic pKa Prediction

25 April 2025 by Corin Wagen

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Wiggle150: Benchmarking Density Functionals And Neural Network Potentials On Highly Strained Conformers

10 April 2025 by Rebecca Brew and others at

Michigan State University

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Wiggle150: Benchmarking Density Functionals And Neural Network Potentials On Highly Strained Conformers

24 January 2025 by Rebecca Brew and others at

Michigan State University

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Efficient Black-Box Prediction of Hydrogen-Bond-Acceptor Strength

24 January 2025 by Corin Wagen

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

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

8 January 2025 by Joseph Gair and others at

Harvard University

Organic Chemistry, Organic Synthesis and Reactions

Wiggle150: Benchmarking Density Functionals And Neural Network Potentials On Highly Strained Conformers

8 January 2025 by Joseph Gair and others at

Michigan State University

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Efficient and Accurate pKa Prediction Enabled by Pre-Trained Machine-Learned Interatomic Potentials

1

8 March 2024 by Corin Wagen and Arien Wagen

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Dual-Hydrogen-Bond Donor and Brønsted Acid Co-Catalysis Enables Highly Enantioselective Protio-Semipinacol Rearrangement Reactions

23 March 2023 by Melanie Blackburn and others at

Harvard University

Catalysis, Theoretical and Computational Chemistry

Inadequacy of Continuum Solvation for Polar Reactions: Predicting the Mechanism of Carbonyl–Olefin Metathesis

3 November 2022 by Corinna Schindler and others

Catalysis, Computational Chemistry and Modeling

Evidence for Oxonium Ions in Ethereal "Hydrogen Chloride"

25 October 2022 by Corin Wagen and Eric Jacobsen at

Harvard University

Computational Chemistry and Modeling, Theoretical and Computational Chemistry

Chloride-Mediated Alkene Activation Drives Enantioselective Thiourea and Hydrogen Chloride Co-Catalyzed Prins Cyclizations

14 July 2022 by Dennis Kutateladze and others at

Harvard University

Catalysis, Acid Catalysis

Unexpected Formation of Hexasubstituted Arenes Through a Twofold Palladium-Mediated Ligand Arylation

7 August 2019 by Corin Wagen and others at

Transition Metal Complexes, Organic Synthesis and Reactions

Topics

Theoretical and Computational Chemistry Organic Chemistry Computational Chemistry and Modeling Catalysis Acid Catalysis Organic Synthesis and Reactions Organocatalysis Physical Organic Chemistry Machine Learning Chemoinformatics Physical Chemistry Organic Compounds and Functional Groups Transition Metal Complexes