Open AccessPerspective: On the active site model in computational catalyst screening
Author(s) -
Karsten Reuter,
Craig Plaisance,
Harald Oberhofer,
Mie Andersen
Publication year - 2017
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4974931
Subject(s) - active site , catalysis , nanotechnology , computational model , biochemical engineering , computer science , materials science , chemistry , engineering , artificial intelligence , organic chemistry
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