TY  - RPRT
TI  - Machine Learning to Predict Diels–Alder Reaction Barriers from the Reactant State Electron Density
AU  - Vargas, Santiago
AU  - Hennefarth, Matthew R.
AU  - Liu, Zhihao
AU  - Alexandrova, Anastassia N.
PY  - 2021
DO  - 10.1021/acs.jctc.1c00623
UR  - https://www.osti.gov/biblio/1977910
ID  - 1977910
ER  -