TY  - RPRT
TI  - Using Constrained Density Functional Theory to Track Proton Transfers and to Sample Their Associated Free Energy Surface
AU  - Li, Chenghan
AU  - Voth, Gregory A.
PY  - 2021
DO  - 10.1021/acs.jctc.1c00609
UR  - https://www.osti.gov/biblio/1818157
ID  - 1818157
ER  -