Repurposing Quantum Chemical Descriptor Datasets for On-the-Fly Generation of Informative Reaction Representations: Application to Hydrogen Atom Transfer Reactions

Jan 1, 2024ยท
Javier E. Alfonso-Ramos
,
Rebecca M. Neeser
,
Thijs Stuyver
ยท 0 min read
Type
Publication
Digit. Discov.