Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111)

Bibliographic Details
Main Authors: Bjarne Kreitz, Khachik Sargsyan, Katrín Blöndal, Emily J. Mazeau, Richard H. West, Gregor D. Wehinger, Thomas Turek, C. Franklin Goldsmith
Format: Article
Language:English
Published: American Chemical Society 2021-08-01
Series:JACS Au
Online Access:https://doi.org/10.1021/jacsau.1c00276