## A simple model to evaluate energy changes in dilute solutions produced by absorption or emission of light is proposed_ The computational scheme exploits some characteristics of the continuum model of liquids and is inserted into ab initio quantum-mechanical programs for isolated molecules. The
Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes
✍ Scribed by S. Miertus̃; J. Tomasi
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 611 KB
- Volume
- 65
- Category
- Article
- ISSN
- 0301-0104
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