Supplementary Information For: Explicit Microsolvation as a "Conformational Chaperone" for openCOSMO-RS Solvation Energy Predictions
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资源简介：
Supplementary archive file for paper. Contains all molecular geometries, with and without explicit solvation. It also contains all of the .cosmo and .orcacosmo files, sigma profiles, comparision plots, and summary data spreadsheets.
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Zenodo创建时间：
2026-07-22
