DFT derived solvation models for organic compounds in alkane solvents
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference12 articles.
1. A Semiempirical Quantum Mechanical Solvation Model for Solvation Free Energies in All Alkane Solvents
2. A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents
3. Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane, Octanol, and Water
4. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
5. Hard and Soft Acids and Bases
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3. Quantitative Prediction of Solvation Free Energy in Octanol of Organic Compounds;INT J MOL SCI;2009
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