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Sulfones: A New Functional Group for Modular Radical Cross-Coupling

Phil Baran, Rohan R. Merchant, Jacob T. Edwards, Tian Qin, Monika M. Kruszyk, Cheng Bi, Guanda Che, Deng-Hui Bao, Wenhua Qiao, Lijie Sun, Michael R. Collins, Gary M. Gallego, James J. Mousseau, Philippe Nuhant

Version 1 posted 19 December 2017

4,594

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Theoretical and Computational Chemistry

Working Paper

Towards Theoretical Spectroscopy with Error Bars: Systematic Quantification of the Structural Sensitivity of Calculated Spectra

Tobias G. Bergmann, Michael O. Welzel, Christoph R. Jacob

Version 2 posted 13 December 2019

688

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Organic Chemistry

Working Paper

The PMI Predictor - a Web App Enabling Green-by-Design Chemical Synthesis

Alina Borovika, Jacob Albrecht, Jun Li, Andrew S. Wells, Christiana Briddell, Barry R. Dillon, Louis J. Diorazio, James R. Gage, Fabrice Gallou, Stefan G. Koenig, Michael E. Kopach, David K. Leahy, Isamir Martinez, Martin Olbrich, Jared L. Piper, Frank Roschangar, Edward Sherer, Martin D. Eastgate

Version 1 posted 16 January 2019

2,251

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4

Citations

Biological and Medicinal Chemistry

Working Paper

PhotoAffinity Bits: A Photoaffinity-Based Fragment Screening Platform for Efficient Identification of Protein Ligands

Emma K. Grant, David J. Fallon, Michael M. Hann, Ken G. M. Fantom, Chad Quinn, Francesca Zappacosta, Roland S. Annan, Chun-wa Chung, Paul Bamborough, David P. Dixon, Peter Stacey, David House, Vipulkumar K. Patel, Nicholas C. O. Tomkinson, Jacob T. Bush

Version 1 posted 01 April 2020

1,398

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Nitrogen K-edge X-ray absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods

Peter Reinholdt, Marta L. Vidal, Jacob Kongsted, Marcella Iannuzzi, Sonia Coriani, Michael Odelius

Version 1 posted 25 June 2021

345

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Catalysis

Working Paper

Quaternary Charge-Transfer Complex Enables Photoenzymatic In-termolecular Hydroalkylation of Olefins

Claire Page, Simon Cooper, Jacob DeHovitz, Daniel G. Oblinsky, Kyle Biegasiewicz, Alyssa Antropow, Kurt Armbrust, Michael Ellis, Lawrence G. Hamann, Evan Horn, Kevin Oberg, Gregory Scholes, Todd Hyster

Version 1 posted 02 November 2020

1,141

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Theoretical and Computational Chemistry

Working Paper

Finding Drug Candidate Hits With a Hundred Samples: Ultra-low Data Screening With Active Learning

Jacob M. Nielsen, Maria H. Rasmussen, Casper Steinmann, Nicolai Ree, Michael Gajhede, Jan Stenvang, Jan H. Jensen

Version 1 posted 18 April 2025

121

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Biological and Medicinal Chemistry

Working Paper

‘Direct-to-biology’ drives optimisation of a cell-active covalent inhibitor of WRN helicase

Sam M. Rowe, Alan Price, Dennis J. Murphy, Jiarong Lin, Eldridge N. Nartey, Apirat Chaikuad, Kristen Wong, Joshua E. Cottom, Nestor O. Concha, Robert A. Reid, Eleanor R. Dickinson, Melanie Jundt, Kerstin Kammerer, Michael Steidel, Toby Mathieson, Thilo Werner, Emma K. Grant, Charlotte K. Stanborough, Maxime Rouah, Justyna Wojno-Picon, Peter Pogány, Jonathan Pettinger, Daniel J. Norman, Harry Wilders, Francesco Rianjongdee, Gilberto Valdes-Garcia, Neysa Nevins, Raynold Shenje, Reema K. Thalji, Chun-wa Chung, H. Christian Eberl, Gitte Neubauer, David House, Yanhua Rao, Michael P. Martino, Jacob T. Bush

Version 1 posted 06 March 2025

1,575

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Catalysis

Working Paper

Spin-Forbidden Excitation Enables Infrared Photoredox Catalysis

Tomislav Rovis, Benjamin D. Ravetz, Nicholas E. S. Tay, Candice Joe, Melda Sezen-Edmonds, Michael A. Schmidt, Yichen Tan, Jacob M. Janey, Martin Eastgate

Version 1 posted 24 April 2020

1,999

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1

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Physical Chemistry

Working Paper

A Kinetic Description of How Interfaces Accelerate Reactions in Micro-Compartments

Kevin Wilson, Alexander Prophet, Grazia Rovelli, Megan Willis, Rebecca Rapf, Michael Jacobs

Version 1 posted 25 June 2020

554

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29 results in Michael Jacobs in Authors: Michael Jacobs

Sulfones: A New Functional Group for Modular Radical Cross-Coupling

Towards Theoretical Spectroscopy with Error Bars: Systematic Quantification of the Structural Sensitivity of Calculated Spectra

The PMI Predictor - a Web App Enabling Green-by-Design Chemical Synthesis

PhotoAffinity Bits: A Photoaffinity-Based Fragment Screening Platform for Efficient Identification of Protein Ligands

Nitrogen K-edge X-ray absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods

Quaternary Charge-Transfer Complex Enables Photoenzymatic In-termolecular Hydroalkylation of Olefins

Finding Drug Candidate Hits With a Hundred Samples: Ultra-low Data Screening With Active Learning

‘Direct-to-biology’ drives optimisation of a cell-active covalent inhibitor of WRN helicase

Spin-Forbidden Excitation Enables Infrared Photoredox Catalysis

A Kinetic Description of How Interfaces Accelerate Reactions in Micro-Compartments

29 results in Authors: Michael Jacobs