A Minimal Experimental Bias on the Hydrogen Bond Greatly Improves Ab Initio Molecular Dynamics Simulations of Water

TitleA Minimal Experimental Bias on the Hydrogen Bond Greatly Improves Ab Initio Molecular Dynamics Simulations of Water
Publication TypeJournal Article
Year of Publication2020
AuthorsCalio, PB, Hocky, GM, Voth, GA
JournalJ. Chem. Theory. Comp
Volume16
Issue9
Pagination5675–5684
Date Published07/2020
DOI10.1021/acs.jctc.0c00558
PubMed ID32786913