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Ab initio intermolecular potentials of methane, nitrogen and methane + nitrogen and their use in Monte Carlo simulations of fluids and fluid mixtures

✍ Scribed by Schindler, H.; Vogelsang, R.; Staemmler, V.; Siddiqi, M.A.; Svejda, P.


Book ID
120635068
Publisher
Taylor and Francis Group
Year
1993
Tongue
English
Weight
932 KB
Volume
80
Category
Article
ISSN
0026-8976

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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