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Polymer Science

Working Paper

Carboxylic Acid-Catalyzed Controlled Ring-Opening Polymerization of Sarcosine N-Carboxyanhydride: Fast Kinetics, Ultra-High Molecular Weight, and Mechanistic Insights

Shuo Wang, Ming-Yuan Lu, Si-Kang Wan, Chun-Yan Lyu, Zi-You Tian, Kai Liu, Hua Lu

Version 1 posted 05 October 2023

529

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Theoretical and Computational Chemistry

Working Paper

Mechanistic insights into the origins of selectivity in a Cu-catalyzed C–H amidation reaction

Alistair J. Sterling, Nicodemo R. Ciccia, Yifan Guo, John F. Hartwig, Martin Head-Gordon

Version 1 posted 08 December 2023

757

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Nanoscience

Working Paper

Sedimentation of colloidal nanoparticles in fluids: efficient and robust numerical evaluation of analytic solutions of the Mason-Weaver equation

Lancelot Barthe, Martinus H. V. Werts

Version 1 posted 19 December 2022

173

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Inorganic Chemistry

Working Paper

Radium Revisited: Revitalization of the Coordination Chemistry of Nature’s Largest 2+ Cation

Zhuanling Bai, Jacob Brannon, Cristian Celis-Barros, Nicholas Beck, Joseph Sperling, Brian Rotermund, Daniela Martinez, Hannah Wineinger, Thomas Albrecht-Schönzart

Version 1 posted 12 April 2023

259

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Materials Science

Working Paper

Assessing ternary materials for fluoride-ion batteries

Don McTaggart, Jack Sundberg, Lauren McRae, Scott Warren

Version 1 posted 10 October 2022

247

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Earth, Space, and Environmental Chemistry

Working Paper

Computational and Experimental Design of Quinones for Electrochemical CO2 Capture and Concentration

Alessandra Zito, Daniel Bim, Santiago Vargas, Anastassia Alexandrova, Jenny Yang

Version 1 posted 10 June 2022

629

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Catalysis

Review

Ensemble representation of catalytic interfaces: soloists, orchestras, and everything in-between

Robert H. Lavroff, Harry W.T. Morgan, Zisheng Zhang, Patricia Poths, Anastassia N. Alexandrova

Version 1 posted 11 March 2022

203

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7 results in Computation in Keywords: Computation

Carboxylic Acid-Catalyzed Controlled Ring-Opening Polymerization of Sarcosine N-Carboxyanhydride: Fast Kinetics, Ultra-High Molecular Weight, and Mechanistic Insights

Mechanistic insights into the origins of selectivity in a Cu-catalyzed C–H amidation reaction

Sedimentation of colloidal nanoparticles in fluids: efficient and robust numerical evaluation of analytic solutions of the Mason-Weaver equation

Radium Revisited: Revitalization of the Coordination Chemistry of Nature’s Largest 2+ Cation

Assessing ternary materials for fluoride-ion batteries

Computational and Experimental Design of Quinones for Electrochemical CO2 Capture and Concentration

Ensemble representation of catalytic interfaces: soloists, orchestras, and everything in-between

7 results in Keywords: Computation