We have shown that the solvation energies of a group of 12 solutes in 7 different solvents can be presented analytically in terms of quantities computed at the density functional B3P86/6-31+G \* \* level for the isolated solute molecules. These quantities include the molecular surface area and sever
✦ LIBER ✦
Thermodynamic Predictions of Physical Properties – Prediction of Solid Solutions in Molecular Solutes Exhibiting Polymorphism
✍ Scribed by G. Coquerel
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 184 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0930-7516
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