Nonadditive intermolecular potential and thermodynamic properties of ethane
Journal of Chemical Physics, ISSN: 0021-9606, Vol: 113, Issue: 1, Page: 312-319
2000
- 4Citations
- 6Captures
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Article Description
Ab initio calculations of the pair interaction energy were carried out. By including nonadditive interactions, a clearly identified component of the interaction potential representing pairwise properties was retained. Further, the nonadditive contribution was transformed into a temperature and density-dependent pairwise effect term.
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