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Molecular dynamic simulations of model micelles. 3. Effects of various intermolecular potentials

✍ Scribed by Karaborni, S.; O'Connell, John P.

Book ID
127051081
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
814 KB
Volume
6
Category
Article
ISSN
0743-7463

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## Abstract Intermolecular interaction energy data for the methane dimer have been calculated at a spectroscopic accuracy and employed to construct an __ab initio__ potential energy surface (PES) for molecular dynamics (MD) simulations of fluid methane properties. The full potential curves of the m