## Abstract Using molecular dynamics simulation, we present new results for the free energy of solvation for solvents with low dielectric constants (CCl~4~, CHCl~3~, benzene). The solvation free energy is computed as the sum of three contributions originated at the cavitation of the solute by the s
Free energies of supercritical solvation from molecular dynamics simulation and integral equation studies
β Scribed by Tapas R. Kunor; Srabani Taraphder
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 731 KB
- Volume
- 388
- Category
- Article
- ISSN
- 0378-4371
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