The relative free energy difference (AAGhyd) for the reversible addition of water to two unsaturated molecules is accurately computed using a combination of ab initio quantum mechanical calculations and free energy perturbation methods. Initial attempts to calculate the absolute hydration free energ
β¦ LIBER β¦
Accurate free energy perturbation calculation of the hydration free energies of Fe3+ and Fe2+
β Scribed by Urban, Joseph J.; Damewood, James R.
- Book ID
- 120218209
- Publisher
- The Royal Society of Chemistry
- Year
- 1990
- Tongue
- English
- Weight
- 307 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0022-4936
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