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Determination of the Free Energies of Mixing of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach
Li, Shi, Pokuri, Balaji Sesha Sarath, Ryno, Sean, Nkansah, Asare, De'vine, Camron, Ganapathysubramanian, Baskar, Risko, ChadLanguage:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.9b01113
Date:
January, 2020
File:
PDF, 690 KB
english, 2020