Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set.
J Chem Theory Comput. 2022 Nov 8;18(11):6757-6778. doi: 10.1021/acs.jctc.2c00524. Epub 2022 Oct 3.
J Chem Theory Comput. 2022.
PMID: 36190354
Free PMC article.