Extension of a Temperature-Dependent Aqueous Solvation Model to Compounds Containing Nitrogen, Fluorine, Chlorine, Bromine, and Sulfur
Author:
Affiliation:
1. Department of Chemistry and Supercomputing Institute, 207 Pleasant Street SE, University of Minnesota, Minneapolis, Minnesota 55455-0431
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp076682v
Reference105 articles.
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2. Cramer, C. J.; Truhlar, D. G. InFree Energy Calculations in RationalDrug Design; Reddy, M. R., Erion, M. D., Eds.; Kluwer: New York, 2001; p 63.
3. Predicting aqueous solubilities from aqueous free energies of solvation and experimental or calculated vapor pressures of pure substances
4. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
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