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Monte Carlo Structure Simulations for Aqueous 1,4-Dioxane Solutions

✍ Scribed by Nagy, Peter I.; Völgyi, Gergely; Takács-Novák, Krisztina


Book ID
120213763
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
204 KB
Volume
112
Category
Article
ISSN
0022-3654

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On a novel Monte Carlo scheme for simula
✍ C. Pangali; M. Rao; B.J. Berne 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 551 KB

The usual hfetropolis ltfonte Carlo afgorithm, when applied to highiy associated liquids iike ST-2 water is \_Ehown to be very siow in establishing equilibrium, and often Ieads to bottlenecks in configuration space. A new Jfgorithm is presented in which the Monte Carfo moves are biased in the direct