Site-Averaged Ab Initio Kinetics: Importance Learning for Multistep Reactions on Amorphous Supports

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Shayesteh Zadeh, Armin, Khan, Salman A., Vandervelden, Craig, Peters, Baron. 2023-04-24. Site-Averaged Ab Initio Kinetics: Importance Learning for Multistep Reactions on Amorphous Supports. https://doi.org/10.1021/acs.jctc.3c00160

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