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pro vyhledávání: '"Emily J. Mazeau"'
Autor:
Bjarne Kreitz, Khachik Sargsyan, Katrín Blöndal, Emily J. Mazeau, Richard H. West, Gregor D. Wehinger, Thomas Turek, C. Franklin Goldsmith
Publikováno v:
JACS Au, Vol 1, Iss 10, Pp 1656-1673 (2021)
Externí odkaz:
https://doaj.org/article/a3c3cada500e41d7a777f823316a5322
Kinetic parameters for surface reactions can be predicted using a combination of Density Functional Theory (DFT) calculations, scaling relations, and machine learning algorithms; however, construction of microkinetic models still requires a knowledge
Externí odkaz:
http://hdl.handle.net/2047/D20449046
