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A diffusion Monte Carlo study of small para-hydrogen clusters

✍ Scribed by Guardiola, Rafael ;Navarro, Jesús


Book ID
111488918
Publisher
Walter de Gruyter GmbH
Year
2008
Tongue
English
Weight
384 KB
Volume
6
Category
Article
ISSN
2391-5471

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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