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representations

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3 results in Keywords: representations

Theoretical and Computational Chemistry

Benchmarking machine-readable vectors of chemical re- actions on computed activation barriers

Puck van Gerwen, Ksenia R. Briling, Yannick Calvino Alonso, Malte Franke, Clemence Corminboeuf

Version 1 posted 04 September 2023

569

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Chemical Education

The language of organic chemistry: is fluency the key to success?

Ahmed M. Youssef, Alison B. Flynn

Version 1 posted 16 September 2024

80

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Theoretical and Computational Chemistry

Deep Learning Metal Complex Properties with Natural Quantum Graphs

Hannes Kneiding, Ruslan Lukin, Lucas Lang, Simen Reine, Thomas Bondo Pedersen, Riccardo De Bin, David Balcells

Version 2 posted 09 November 2022

1,095

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