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The nature of base stacking: a Monte Carlo study

✍ Scribed by Vladimir V. Dailidonis; Victor I. Danilov; Herbert A. Früchtl; Tanja van Mourik


Publisher
Springer
Year
2011
Tongue
English
Weight
666 KB
Volume
130
Category
Article
ISSN
1432-2234

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A Monte Carlo study of water clusters
✍ Michael R. Mruzik 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 427 KB

The free energy, internal energy and entropy for water clusters of 8 and 64 molecules have been calculated using the Monte Carlo method and both the Lie-Clementi (C-XII) and Stillinger (ST2) potential functions. Detailed structural data for a cluster of 64 water molecules was also obtained by averag