TY - DATA
T1 - Sample simulation files for "Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields"
PY - 2024/04/25
AU - Parsa Habibi
AU - Mert Polat
AU - Samuel Blazquez
AU - Carlos Vega
AU - Poulumi Dey
AU - Thijs Vlugt
AU - Othonas
A. Moultos
UR - 
DO - 10.4121/00da62fc-9204-435c-a627-1ba2bde58bc1.v1
KW - Physical Chemistry
KW - Chemical Physics
KW - Monte Carlo
KW - Force Fields
KW - Aqueous solutions
N2 - <p>Sample simulations input/output files used for the publication titled&nbsp;"Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields". Please read the README files for more details and refer to the main manuscript for more details: https://pubs.acs.org/doi/full/10.1021/acs.jpclett.4c00428</p>
ER -