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Theoretical and Computational Chemistry

Working Paper

Physics-Informed Machine Learning Enables Rapid Macroscopic pKa Prediction

Corin Wagen

Version 2 posted 02 June 2025

430

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Theoretical and Computational Chemistry

Working Paper

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

Corin Wagen

Version 1 posted 24 January 2025

398

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Theoretical and Computational Chemistry

Working Paper

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

Rebecca Brew, Ian Nelson, Meruyert Binayeva, Amlan Nayak, Wyatt Simmons, Joseph Gair, Corin Wagen

Version 3 posted 10 April 2025

908

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Organic Chemistry

Working Paper

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

Joseph Gair, Mayuko Isomura, Corin Wagen, Daniel Strassfeld, Eric Jacobsen

Version 1 posted 08 January 2025

1,000

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Organic Chemistry

Working Paper

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

Corin Wagen, Bryan T. Ingoglia, Stephen L. Buchwald

Version 1 posted 07 August 2019

692

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1

Citations

Organic Chemistry

Working Paper

Site-Selective, Stereocontrolled Glycosylation Catalyzed by Bis-Thioureas

Qiuhan Li, Samuel M. Levi, Corin C. Wagen, Alison E. Wendlandt, Eric N. Jacobsen

Version 1 posted 15 April 2022

893

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Catalysis

Working Paper

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

Corinna Schindler, Eugene Kwan, Hannah Vonesh, Corin Wagen, Spencer McMinn, Joshua Thedford

Version 1 posted 03 November 2022

1,499

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2

Citations

Organic Chemistry

Working Paper

Screening for Generality in Asymmetric Catalysis

Corin C. Wagen, Spencer E. McMinn, Eugene E. Kwan, Eric N. Jacobsen

Version 1 posted 04 April 2022

1,955

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2

Citations

Theoretical and Computational Chemistry

Working Paper

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

Corin Wagen, Arien Wagen

Version 1 posted 08 March 2024

1,020

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3

Citations

Catalysis

Working Paper

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

Dennis Kutateladze, Corin Wagen, Eric Jacobsen

Version 1 posted 14 July 2022

790

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Refine Search

12 results in Corin Wagen in Authors: Corin Wagen

Physics-Informed Machine Learning Enables Rapid Macroscopic pKa Prediction

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

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

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

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

Site-Selective, Stereocontrolled Glycosylation Catalyzed by Bis-Thioureas

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

Screening for Generality in Asymmetric Catalysis

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

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

12 results in Authors: Corin Wagen