𝔖 Bobbio Scriptorium
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Fractional description of free energies of solvation

✍ Scribed by F. Javier Luque; Xavier Barril; Modesto Orozco

Book ID
110257752
Publisher
Springer Netherlands
Year
1999
Tongue
English
Weight
174 KB
Volume
13
Category
Article
ISSN
0920-654X

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πŸ“œ SIMILAR VOLUMES

Continuum and discrete calculation of fr
Continuum and discrete calculation of fractional contributions to solvation free energy
✍ Antonio Morreale; Josep Lluis GelpΓ­; F. Javier Luque; Modesto Orozco πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 299 KB

## Abstract Approaches to compute fractional contributions to the solvation free energy are developed in the context of continuum self consistent reaction field calculations (both classical and quantum mechanical), as well as in the framework of discrete molecular dynamics simulations. It is found

Modeling Free Energies of Solvation in O
Modeling Free Energies of Solvation in Olive Oil
✍ Chamberlin, Adam C.; Levitt, David G.; Cramer, Christopher J.; Truhlar, Donald G πŸ“‚ Article πŸ“… 2008 πŸ› American Chemical Society 🌐 English βš– 658 KB