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Performance of the IEF-MST Solvation Continuum Model in a Blind Test Prediction of Hydration Free Energies †

✍ Scribed by Soteras, Ignacio; Forti, Flavio; Orozco, Modesto; Luque, F. Javier


Book ID
126145802
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
265 KB
Volume
113
Category
Article
ISSN
0022-3654

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