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Toward Totally Defined Nanocatalysis: Deep Learning Reveals..:

Eremin, Dmitry B. ; Galushko, Alexey S. ; Boiko, Daniil A....
Journal of the American Chemical Society.  144 (2022)  13 - p. 6071-6079 , 2022
Link: https://doi.org/10.1021/jacs.2c01283