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The molecular interaction group contributions for dielectric solvents

✍ Scribed by Rong-Song Wu; Lloyd L. Lee

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
309 KB
Volume
82
Category
Article
ISSN
0378-3812

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πŸ“œ SIMILAR VOLUMES

Free energy of solvation from molecular
Free energy of solvation from molecular dynamics simulations for low dielectric solvents
✍ Paulo F. B. GonΓ§alves; Hubert Stassen πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 103 KB

## 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