Free-energies of Water-ions in Water Droplets on Commodity Polymers
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https://springernature.figshare.com/articles/dataset/Free-energies_of_Water-ions_in_Water_Droplets_on_Commodity_Polymers/24217161
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资源简介:
free_energy_one_surface.xlsx: Summary of results from thermodynamic integration of ion addition to water droplets atop polymer surfaces.
free_energy_two_surface.xlsx: Summary of results from umbrella sampling on the ionic dipole within water channels formed between two polymer surfaces.
configuration_data.zip: Simulation configuration data files. Initial and final configurations are provided for each surface in LAMMPS data file format.
提供机构:
figshare
创建时间:
2023-09-29



