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Organometallic Chemistry

Working Paper

Tuning Iridium(I) PCcarbeneP Frameworks for Facile Cooperative N2O Reduction

Joel D. Smith, Edwina Chih, Warren Piers, Denis M. Spasyuk

Version 2 posted 10 July 2018

1,006

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Theoretical and Computational Chemistry

Working Paper

Reaction-based Enumeration, Active Learning, and Free Energy Calculations to Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin Dependent Kinase 2 Inhibitors

Kyle Konze, Pieter Bos, Markus Dahlgren, Karl Leswing, Ivan Tubert-Brohman, Andrea Bortolato, Braxton Robbason, Robert Abel, Sathesh Bhat

Version 3 posted 18 March 2019

2,940

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Catalysis

Working Paper

Utilizing Carbonyl-Coordination of Native Amides for Pd– catalyzed C(sp3)–H Olefination

Hojoon Park, Yang Li, jin-quan yu

Version 1 posted 16 May 2019

723

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Organometallic Chemistry

Working Paper

Tuning the Bonding of a μ-Mesityl Ligand on Dicopper(I) through a Proton-Responsive Expanded PNNP Pincer Ligand

Errikos Kounalis, Martin Lutz, Daniël Broere

Version 1 posted 04 December 2019

460

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Organic Chemistry

Working Paper

Ligand-Enabled, Palladium-Catalyzed Beta-C (sp3)–H Arylation of Weinreb Amides

Hojoon Park, Nikita Chekshin, Peng-Xiang Shen, jin-quan yu

Version 1 posted 06 July 2018

928

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1

Citations

Organometallic Chemistry

Working Paper

Retooling Asymmetric Conjugate Additions for Sterically Demanding Substrates with an Iterative Data-Driven Approach

Alexandre Brethomé, Robert Paton, Stephen P. Fletcher

Version 1 posted 03 May 2019

460

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Theoretical and Computational Chemistry

Working Paper

Artificial Intelligence Guided De Novo Molecular Design Targeting COVID-19

Srilok Srinivasan, Rohit Batra, Henry Chan, Ganesh Kamath, Mathew J. Cherukara, Subramanian Sankaranarayanan

Version 1 posted 30 June 2020

948

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Organic Chemistry

Working Paper

Design of an Electron-Withdrawing Benzonitrile Ligand for Ni-Catalyzed Cross-Coupling Involving Tertiary Nucleophiles

Reginald Mills, Racquel Edjoc, Sophie Rousseaux

Version 1 posted 29 March 2021

595

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Organic Chemistry

Working Paper

Cu-Catalyzed Hydroboration of Benzylidenecyclopropanes: Reaction Optimization, (Hetero)Aryl Scope, and Origins of Pathway Selectivity

Jose Medina, Taeho Kang, Tuğçe Erbay, Huiling Shao, Gary Gallego, Shouliang Yang, Michelle Tran-Dubé, Paul Richardson, Joseph Derosa, Ryan Helsel, Ryan Patman, Fen Wang, Christopher Ashcroft, John Braganza, Indrawan McAlpine, Peng Liu, Keary Engle

Version 1 posted 28 June 2019

1,030

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Organic Chemistry

Working Paper

Multifaceted Substrate–Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds

Taeho Kang, Tuğçe Erbay, Kane Xu, Gary Gallego, Alexander Burtea, Sajiv Nair, Ryan Patman, Ru Zhou, Scott Sutton, Indrawan McAlpine, Peng Liu, Keary Engle

Version 1 posted 12 August 2020

761

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43 results in ligand design in Keywords: ligand design

Tuning Iridium(I) PCcarbeneP Frameworks for Facile Cooperative N2O Reduction

Reaction-based Enumeration, Active Learning, and Free Energy Calculations to Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin Dependent Kinase 2 Inhibitors

Utilizing Carbonyl-Coordination of Native Amides for Pd– catalyzed C(sp3)–H Olefination

Tuning the Bonding of a μ-Mesityl Ligand on Dicopper(I) through a Proton-Responsive Expanded PNNP Pincer Ligand

Ligand-Enabled, Palladium-Catalyzed Beta-C (sp3)–H Arylation of Weinreb Amides

Retooling Asymmetric Conjugate Additions for Sterically Demanding Substrates with an Iterative Data-Driven Approach

Artificial Intelligence Guided De Novo Molecular Design Targeting COVID-19

Design of an Electron-Withdrawing Benzonitrile Ligand for Ni-Catalyzed Cross-Coupling Involving Tertiary Nucleophiles

Cu-Catalyzed Hydroboration of Benzylidenecyclopropanes: Reaction Optimization, (Hetero)Aryl Scope, and Origins of Pathway Selectivity

Multifaceted Substrate–Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds

43 results in Keywords: ligand design