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Molecular dynamics simulation of water properties using RWK2 potential: From clusters to bulk water

✍ Scribed by Zhenhao Duan; Nancy Møller; John H. Wears

Book ID
118887125
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
879 KB
Volume
59
Category
Article
ISSN
0016-7037

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Molecular dynamics simulation of water n
Molecular dynamics simulation of water near walls using an improved wall—water interaction potential
✍ Giulio Barabino; Cesare-Gavotti; Michele Marchesi 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 592 KB

Two molecular dynamics simulations, lasting 14 and 24 ps, have been performed with 150 water molecules between two walls. The waII potential is obtained by modeUing the wail as a lattice of fmed atoms, interacting with water atoms via a Lennard-Jones potential, and averaging the results. One simulat