Computational methodology for solubility prediction: Application to the sparingly soluble solutes
Author:
Affiliation:
1. Department of Chemistry, University of Cambridge, Cambridgeshire CB2 1EW, United Kingdom
2. BP Exploration Operating Co. Ltd., Sunbury-on-Thames TW16 7LN, United Kingdom
Funder
BP Global
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference91 articles.
1. Prediction of drug solubility from structure
2. Prediction of drug solubility from Monte Carlo simulations
3. Aggregation and Deposition of Heavy Organics in Petroleum Crudes
4. Thermodynamics of "scale" mineral solubilities. 1. Barium sulfate(s) in water and aqueous sodium chloride
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