Supporting dataset for the publication "The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets"
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资源简介：
Here, we provide an example of our umbrella sampling simulations (35.6 nm²×1.5 nm, 4 ligand beads, 250k solvent molecules), the input and output data of our WHAM calculations, and free energy curves. Additional, we provide a modified file of the HOOBAS molecular builder. This file includes the "platelet" class we use to create nonoplatelets in our simulations.
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Zenodo创建时间：
2022-07-18
