Experimental Compilation and Computation of Hydration Free Energies for Ionic Solutes
Author:
Affiliation:
1. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
Funder
MIT Machine Learning for Pharmaceutical Discovery and Synthesis Consortium
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c05514
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5. Fast solvent screening via quantum chemistry: COSMO-RS approach
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