TY  - RPRT
TI  - Assessing the Performance of Exchange‐Correlation Density Functionals in Describing the Iron‐Catalyzed Ammonia Synthesis System
AU  - Smith, Evangelos [Univ. of Wisconsin, Madison, WI (United States)]
AU  - Figueras‐Valls, Marc [Univ. of Wisconsin, Madison, WI (United States)]
AU  - Mavrikakis, Manos [Univ. of Wisconsin, Madison, WI (United States)] (ORCID:0000000252935356)
PY  - 2025
DO  - 10.1002/ceur.202500030
UR  - https://www.osti.gov/biblio/3012736
ID  - 3012736
ER  -