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Note: Interionic potentials of mean force for Ca2+-Cl− in polarizable water

✍ Scribed by Dang, Liem X.; Truong, Tai Ba; Ginovska-Pangovska, Bojana

Book ID
118750533
Publisher
American Institute of Physics
Year
2012
Tongue
English
Weight
478 KB
Volume
136
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES

Interionic potentials of mean force for
Interionic potentials of mean force for SrCl2 in polarizable water: A computer simulation study
✍ David E. Smith; Liem X. Dang 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 465 KB

Potentials of mean force ( PMFs) and solvation properties of SKI2 in polarizable water have been studied using molecular dynamics simulations. The PMF between isolated S?' and Cl-ions involves a stable contact ion-pair state with a binding free energy of -1.8 kcal/mol and a dissociation barrier of 3