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The role of solvent structure in perturbation methods applied to the dissolution of an apolar solute in water

✍ Scribed by Mario Re; Daniel Laria; Roberto Fernández-Prini

Book ID
112008412
Publisher
Wiley (John Wiley & Sons)
Year
1996
Tongue
English
Weight
646 KB
Volume
100
Category
Article
ISSN
0372-8323

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📜 SIMILAR VOLUMES

Solvent structural contributions to the
Solvent structural contributions to the dissolution process of an apolar solute in water
✍ Mario Re; Daniel Laria; Roberto Fernández-Prini 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 493 KB

We have examined structural features of aqueous microenvironments in the neighborhood of an apolar solute (Xe atom) using molecular dynamics techniques and the simple point charge model to represent the solvent. A detailed comparative study of equilibrium spatial correlations of the solvent structur