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3 results in Authors: Grant Harris

Theoretical and Computational Chemistry

Correlation consistent auxiliary basis sets in density fitting Hartree-Fock. The atoms sodium through argon revisited.

Harry Nash, Robert Shaw, Grant Hill

Version 1 posted 16 August 2022

213

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Distinguishing Bulk Redox from Near-Surface Degradation in Lithium Nickel Oxide Cathodes

Robert Weatherup, Lijin An, Jack Swallow, Peixi Cong, Ruomu Zhang, Andrey Poletayev, Erik Björklund, Pravin Didwal, Michael Fraser, Leanne Jones, Conor Phelan, Namrata Ramesh, Grant Harris, Christoph Sahle, Pilar Ferrer, David Grinter, Peter Bencok, Shusaku Hayama, M. Saiful Islam, Robert House, Peter Nellist, Robert Green, Rebecca Nicholls

Version 1 posted 20 March 2024

708

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1

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Biological and Medicinal Chemistry

Expedited SARS-CoV-2 main protease inhibitor discovery through modular ‘direct-to-biology’ screening

Harry Wilders, George Biggs, Sam Rowe, Emma E. Cawood, Alan R. Rendina, Emma K. Grant, Jonathan Pettinger, David J. Fallon, Mark Skehel, David House, Nicholas C. O. Tomkinson, Jacob T. Bush

Version 1 posted 06 September 2024

405

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