𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the calculation of specific free energy of step edges in ionic crystals

✍ Scribed by M. Rubbo; D. Aquilano


Book ID
108342836
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
91 KB
Volume
194
Category
Article
ISSN
0022-0248

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Incorporating the effect of ionic streng
✍ Serena Donnini; Alan E. Mark; AndrΓ© H. Juffer; Alessandra Villa πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 265 KB

## Abstract The incorporation of explicit ions to mimic the effect of ionic strength or to neutralize the overall charge on a system in free energy calculations using molecular dynamics simulations is investigated. The difference in the free energy of hydration between two triosephosphate isomerase