Investigating the Accuracy of Water Models through the Van Hove Correlation Function.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00637
Abstract: We present molecular-simulation-based calculations of the Van Hove correlation function (VHF) of water using multiple modeling approaches: classical molecular dynamics with simple three-site nonpolarizable models, with a polarizable model, and with a reactive force field;… read more here.
Keywords: water; hove correlation; correlation function; van hove ... See more keywords