TY  - RPRT
TI  - On the integration of molecular dynamics, data science, and experiments for studying solvent effects on catalysis
AU  - Je, Lisa
AU  - Huber, George W.
AU  - Van Lehn, Reid C.
AU  - Zavala, Victor M.
PY  - 2022
DO  - 10.1016/j.coche.2022.100796
UR  - https://www.osti.gov/biblio/1863591
ID  - 1863591
ER  -