TY  - RPRT
TI  - Nuclear–Electronic Orbital QM/MM Approach: Geometry Optimizations and Molecular Dynamics
AU  - Chow, Mathew
AU  - Lambros, Eleftherios
AU  - Li, Xiaosong
AU  - Hammes-Schiffer, Sharon
PY  - 2023
DO  - 10.1021/acs.jctc.3c00361
UR  - https://www.osti.gov/biblio/2554028
ID  - 2554028
ER  -