TY  - RPRT
TI  - Eliminating Delocalization Error to Improve Heterogeneous Catalysis Predictions with Molecular DFT + U
AU  - Bajaj, Akash
AU  - Kulik, Heather J.
PY  - 2022
DO  - 10.1021/acs.jctc.1c01178
UR  - https://www.osti.gov/biblio/1977922
ID  - 1977922
ER  -