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Electron hydration energy: Nonempirical estimate

✍ Scribed by Novakovskaya, Yu. V.


Book ID
110180008
Publisher
Springer
Year
2007
Weight
234 KB
Volume
43
Category
Article
ISSN
0033-1732

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πŸ“œ SIMILAR VOLUMES


Estimating relative free energies from a
✍ SchοΏ½fer, Heiko; Van Gunsteren, Wilfred F.; Mark, Alan E. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 280 KB

The ability to determine the free energy of solvation for a number of small organic molecules with varying sizes and properties from the coordinate trajectory of a single simulation of a given reference state was investigated. The relative free energies were estimated from a single step perturbation