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Theoretical and Computational Chemistry

Thermodynamic, kinetic and dynamic aspects of biogas upgrading using nano-engineered grazynes

Francesc Viñes Solana, Adrià Calzada Escrig, Pablo Gamallo Belmonte

Version 1 posted 15 November 2022

145

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Materials Science

Covalent Functionalization of Melt-Blown Polypropylene Filters with Diazirine–Photosensitizer Conjugates Producing Visible Light Driven Virus Inactivating Materials.

Tyler Cuthbert, Siobhan Ennis, Stefania F. Musolino, Heather L. Buckley, Masahiro Niikura, Jeremy Wulff, carlo menon

Version 1 posted 16 April 2021

458

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1

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Theoretical and Computational Chemistry

MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning

David Buterez, Jon Paul Janet, Steven J. Kiddle, Pietro Liò

Version 1 posted 14 November 2022

620

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