| Title | Accurate and Transferable Reactive Molecular Dynamics Models from Constrained Density Functional Theory |
| Publication Type | Journal Article |
| Year of Publication | 2021 |
| Authors | Li, C, Voth, GA |
| Journal | J. Phys. Chem. B |
| Volume | 125 |
| Issue | 37 |
| Pagination | 10471–10480 |
| Date Published | 09/2021 |
| DOI | 10.1021/acs.jpcb.1c05992 |
| PubMed ID | 34520198 |
| PubMed Central ID | PMC8480781 |