TY  - RPRT
TI  - Accurate Free Energies for Complex Condensed-Phase Reactions Using an Artificial Neural Network Corrected DFTB/MM Methodology
AU  - Gómez-Flores, Claudia L.
AU  - Maag, Denis
AU  - Kansari, Mayukh
AU  - Vuong, Van-Quan
AU  - Irle, Stephan
AU  - Gräter, Frauke
AU  - Kubař, Tomáš
AU  - Elstner, Marcus
PY  - 2022
DO  - 10.1021/acs.jctc.1c00811
UR  - https://www.osti.gov/biblio/1863306
ID  - 1863306
ER  -