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Monte Carlo study of the temperature dependence of the hydrophobic hydration of benzene

✍ Scribed by Sérgio Urahata; Sylvio Canuto


Book ID
108313068
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
143 KB
Volume
313
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES


Monte Carlo simulations of the hydration
✍ William L. Jorgensen; Toan B. Nguyen 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 966 KB

Intermolecular potential functions have been developed for use in computer simulations of substituted benzenes. Previously reported optimized potentials for liquid simulations (OPLS) for benzene and organic functional groups were merged and tested by computing free energies of hydration for toluene,