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Theoretical Study of the Solvation of Fluorine and Chlorine Anions by Water

✍ Scribed by Kemp, Daniel D.; Gordon, Mark S.

Book ID
118162936
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
682 KB
Volume
109
Category
Article
ISSN
1089-5639

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A comparative theoretical study of dipep
A comparative theoretical study of dipeptide solvation in water
✍ HΓ₯kan W. Hugosson; Alessandro Laio; Patrick Maurer; Ursula Rothlisberger πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 219 KB

## Abstract Molecular dynamics studies have been performed on the zwitterionic form of the dipeptide glycine–alanine in water, with focus on the solvation and electrostatic properties using a range of theoretical methods, from purely classical force fields, through mixed quantum mechanical/molecula