Articles with "high put" as a keyword



Photo by sxy_selia from unsplash

Free Energies of Hydrated Halide Anions: High Through-Put Computations on Clusters to Treat Rough Energy-Landscapes

Sign Up to like & get
recommendations!
Published in 2021 at "Molecules"

DOI: 10.3390/molecules26113087

Abstract: With a longer-term goal of addressing the comparative behavior of the aqueous halides F−, Cl−, Br−, and I− on the basis of quasi-chemical theory (QCT), here we study structures and free energies of hydration clusters… read more here.

Keywords: anions high; halide anions; free energies; high put ... See more keywords