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A molecular dynamics study of fullerene–carbon monoxide mixture

✍ Scribed by S Pałucha; Z Gburski; J Biesiada


Book ID
103836589
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
188 KB
Volume
704
Category
Article
ISSN
0022-2860

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Molecular dynamics study of liquid carbo
✍ S.-B. Zhu; G.W. Robinson 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 438 KB

Molecular dynamics (MD) simulation of liquid carbon dioxide near the triple point is carried out on the CRAY X-MP supercomputer. An empirical intermolecular potential is derived by use of the model proposed recently for carbon disuiphide. In addition, the intramolecular degrees of freedom are introd