@misc{indiciaebde22e5cbb6d, title = {Nuclear–Electronic Orbital QM/MM Approach: Geometry Optimizations and Molecular Dynamics}, author = {Chow, Mathew and Lambros, Eleftherios and Li, Xiaosong and Hammes-Schiffer, Sharon}, year = {2023}, doi = {10.1021/acs.jctc.3c00361}, url = {https://www.osti.gov/biblio/2554028}, note = {Source identifier: 2554028} }