## Abstract A number of density functionals was utilized for the calculation of electron attachment free energy for nitrocompounds, quinones and azacyclic compounds. Different solvation models have been tested on the calculation of difference in free energies of solvation of oxidized and reduced fo
Computational methods for the estimation of solution properties of organic pollutants
β Scribed by W.J. Dunn III
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 878 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0169-7439
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