Title | Minimal Experimental Bias on the Hydrogen Bond Greatly Improves Ab Initio Molecular Dynamics Simulations of Water |
Publication Type | Journal Article |
Year of Publication | 2020 |
Authors | Calio, PB, Hocky, GM, Voth, GA |
Journal | J. Chem. Theory. Comput. |
Volume | 16 |
Issue | 9 |
Pagination | 5675–5684 |
Date Published | 09/2020 |
DOI | 10.1021/acs.jctc.0c00558 |
PubMed ID | 32786913 |