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Temperature and size dependence for Monte Carlo simulations of TIP4P water

✍ Scribed by Jorgensen, William L.; Madura, Jeffry D.

Book ID
120071131
Publisher
Taylor and Francis Group
Year
1985
Tongue
English
Weight
615 KB
Volume
56
Category
Article
ISSN
0026-8976

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πŸ“œ SIMILAR VOLUMES

Temperature dependence of TIP3P, SPC, an
Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density
✍ Jorgensen, William L.; Jenson, Corky πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 305 KB

Monte Carlo statistical mechanics simulations have been carried out with the TIP3P, SPC, and TIP4P models for liquid water at 13 temperatures from y50ЊC to 100ЊC at 1 atm. Long runs with 512 water molecules provided definitive results for densities. Although the TIP4P model yields a flat region in t