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Catalysis

Working Paper

Free Standing Nanoporous Pd Alloys as CO Poisoning Tolerant Electrocatalysts for the Electrochemical Reduction of CO2 to Formate

Swarnendu Chatterjee, Charles D. Griego, James Hart, Yawei Li, Mitra Taheri, John Keith, Joshua Snyder

Version 1 posted 21 January 2019

1,094

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Organic Chemistry

Working Paper

Short-Chained Anthracene Strapped Porphyrins and Their Endoperoxides

Susan Callaghan, Keith Flanagan, John E. O'Brien, Mathias O.. Senge

Version 1 posted 05 March 2020

349

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Biological and Medicinal Chemistry

Working Paper

Discovery and Optimization of Novel Pyridines as Highly Potent and Selective Glycogen Synthase Kinase 3 Inhibitors

Savithri Ramurthy, Keith B. Pfister, Rustum S. Boyce, Sean P. Brown, Abran Q. Costales, Manoj Desai, Eric Fang, Barry H. Levine, Simon C. Ng, John M. Nuss, David B. Ring, Cynthia M. Shafer, Wei Shu, Sharada Subramanian, Allan S. Wagman, Haixia Wang, Dirksen Bussiere

Version 1 posted 31 October 2019

551

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Theoretical and Computational Chemistry

Working Paper

Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen

Emily Eikey, Alex Maldonado, Charles Griego, Guido Falk von Rudorff, John Keith

Version 1 posted 23 November 2021

223

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Theoretical and Computational Chemistry

Working Paper

Modeling molecular ensembles with gradient-domain machine learning force fields

Alex M. Maldonado, Igor Poltavsky, Valentin Vassilev-Galindo, Alexandre Tkatchenko, John A. Keith

Version 2 posted 03 May 2023

530

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Organometallic Chemistry

Working Paper

The Key Role of the Latent N-H Group in Milstein's Catalyst for Ester Hydrogenation

John Pham, Cole Jarczyk, Eamon Reynolds, Sophie Kelly, Thao Kim, Tianyi He, Jason Keith, Anthony Chianese

Version 2 posted 17 May 2021

764

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Physical Chemistry

Working Paper

Computational Predictions of Metal-Macrocycle Stability Constants Require Accurate Treatments of Local Solvent and pH Effects

Brian Gentry, Tae Hoon Choi, William Belfield, John Keith

Version 1 posted 10 February 2021

211

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Physical Chemistry

Working Paper

Interplay of catalyst corrosion and homogeneous reactive oxygen species in electrochemical ozone production

Rayan Alaufey, Lingyan Zhao, Andrew Lindsay, Tana Siboonruang, Qin Wu, John Keith, Ezra Wood, Maureen Tang

Version 1 posted 20 November 2023

185

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Theoretical and Computational Chemistry

Working Paper

Computational Insights into Water Oxidation Mechanisms on Rutile SnO2(110) that Form Ozone

Lingyan Zhao, Rayan Alaufey, Qin Wu, Maureen Tang, John Keith

Version 1 posted 26 December 2023

90

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Theoretical and Computational Chemistry

Working Paper

Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states

Emily Eikey, Alex Maldonado, Charles Griego, Guido Falk von Rudorff, John Keith

Version 1 posted 23 November 2021

272

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Refine Search

18 results in John A. Keith in Authors: John A. Keith

Free Standing Nanoporous Pd Alloys as CO Poisoning Tolerant Electrocatalysts for the Electrochemical Reduction of CO2 to Formate

Short-Chained Anthracene Strapped Porphyrins and Their Endoperoxides

Discovery and Optimization of Novel Pyridines as Highly Potent and Selective Glycogen Synthase Kinase 3 Inhibitors

Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen

Modeling molecular ensembles with gradient-domain machine learning force fields

The Key Role of the Latent N-H Group in Milstein's Catalyst for Ester Hydrogenation

Computational Predictions of Metal-Macrocycle Stability Constants Require Accurate Treatments of Local Solvent and pH Effects

Interplay of catalyst corrosion and homogeneous reactive oxygen species in electrochemical ozone production

Computational Insights into Water Oxidation Mechanisms on Rutile SnO2(110) that Form Ozone

Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states

18 results in Authors: John A. Keith