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Catalysis

Working Paper

H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes

Joel D. Smith, George Durrant, Daniel Ess, Warren Piers

Version 1 posted 11 May 2020

625

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Organic Chemistry

Working Paper

Blue Light-Induced 1,2-Aminochlorination of Olefins using Dichlorocarbamates

Sini Irvankoski, Michael Davenport, Daniel Ess, Juha Siitonen

Version 1 posted 19 December 2023

714

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Catalysis

Working Paper

Ni-Catalyzed Electrochemical Cross-Electrophile C(sp2)-C(sp3) Coupling via a NiII Aryl Amido Intermediate

Jian Luo, Michael Davenport, Daniel Ess, Tianbiao Liu

Version 1 posted 25 October 2023

541

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Organometallic Chemistry

Working Paper

Tolman Electronic Parameter Predictions from a Fast, Accurate, and Robust Machine Learning Model Provide Insight into Phosphine Ligand Electronic Effects

Daniel Ess, Justin Kirkland, Harlan Stevens, Jeffrey Olsen

Version 1 posted 10 October 2023

421

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Theoretical and Computational Chemistry

Working Paper

Machine Learning Classification of Disrotatory IRC and Conrotatory Non-IRC Trajectory Motion for Cyclopropyl Radical Ring Opening

Steven Maley, Jesse Melville, Spencer Yu, Cal Hargis, Reid Hamilton, Benjamin Grant, Matthew Teynor, Daniel Ess

Version 1 posted 09 February 2021

264

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Organometallic Chemistry

Working Paper

Mechanistic Molecular Motion of Transition-Metal Mediated Beta-Hydride Transfer: Quasiclassical Trajectories Reveal Dynamically Ballistic, Dynamically Unrelaxed, Two Step, and Concerted Mechanisms

Josh Wheeler, Ryan Carlsen, Daniel Ess

Version 1 posted 23 April 2020

410

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Organometallic Chemistry

Working Paper

Quantum-Mechanical Transition-State Model Combined with Machine Learning Provides Catalyst Design Features for Selective Cr Olefin Oligomerization

Steven Maley, Doo-Hyun Kwon, Nick Rollins, Johnathan Stanley, Orson Sydora, Steven M. Bischof, Daniel Ess

Version 1 posted 27 July 2020

496

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Organometallic Chemistry

Working Paper

Carbene Character in a Series of Neutral PCcarbeneP Cobalt(I) Complexes – Radical Carbenes Versus Nucleophilic Carbenes

Marissa Clapson, Justin Kirkland, Warren Piers, Daniel Ess, Benjamin Gelfand, Jian-Bin Lin

Version 1 posted 13 October 2021

412

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Catalysis

Working Paper

Catalysis with a Skip: Dynamically Coupled Addition, Proton Transfer, and Elimination During Au- and Pd-Catalyzed Diol Cyclization

Matthew Teynor, Windsor Scott, Daniel Ess

Version 1 posted 31 May 2021

163

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Catalysis

Working Paper

Exploring Cuneanes as Benzene Isosteres and Energetic Materials: Scope and Mechanistic Investigations into Regioselective Rear-rangements from Cubanes

Jeong-Yu Son, Santeri Aikonen, Nathan Morgan, Alexander Harmata, Jesse Sabatini, Rosario Sausa, Edward Byrd, Daniel Ess, Robert Paton, Corey Stephenson

Version 1 posted 24 January 2023

1,466

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20 results in Daniel Ess in Authors: Daniel Ess

H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes

Blue Light-Induced 1,2-Aminochlorination of Olefins using Dichlorocarbamates

Ni-Catalyzed Electrochemical Cross-Electrophile C(sp2)-C(sp3) Coupling via a NiII Aryl Amido Intermediate

Tolman Electronic Parameter Predictions from a Fast, Accurate, and Robust Machine Learning Model Provide Insight into Phosphine Ligand Electronic Effects

Machine Learning Classification of Disrotatory IRC and Conrotatory Non-IRC Trajectory Motion for Cyclopropyl Radical Ring Opening

Mechanistic Molecular Motion of Transition-Metal Mediated Beta-Hydride Transfer: Quasiclassical Trajectories Reveal Dynamically Ballistic, Dynamically Unrelaxed, Two Step, and Concerted Mechanisms

Quantum-Mechanical Transition-State Model Combined with Machine Learning Provides Catalyst Design Features for Selective Cr Olefin Oligomerization

Carbene Character in a Series of Neutral PCcarbeneP Cobalt(I) Complexes – Radical Carbenes Versus Nucleophilic Carbenes

Catalysis with a Skip: Dynamically Coupled Addition, Proton Transfer, and Elimination During Au- and Pd-Catalyzed Diol Cyclization

Exploring Cuneanes as Benzene Isosteres and Energetic Materials: Scope and Mechanistic Investigations into Regioselective Rear-rangements from Cubanes

20 results in Authors: Daniel Ess