Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Repurposing Quantum Chemical Descriptor Datasets for on-the-Fly Generation of Informative Reaction Representations: Application to Hydrogen Atom Transfer Reactions
, Authors:
Javier Alfonso-Ramos, Rebecca Neeser, Thijs Stuyver
Version 1 posted 07 December 2023
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