## 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
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Determination of a methane intermolecular potential model for use in molecular simulations from ab initio calculations
β Scribed by Rowley, Richard L.; Pakkanen, Tapani
- Book ID
- 115484780
- Publisher
- American Institute of Physics
- Year
- 1999
- Tongue
- English
- Weight
- 470 KB
- Volume
- 110
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.478203
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