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Revised central force potentials for water
Abstract
Computer simulation by the molecular dynamics technique has been used to investigate a modification of the previously introduced ’’central force model’’ for liquid water. The simulation involved 216 molecules, with periodic boundary conditions and Ewald summation, at 29.5°C and 1 g/cm3. In all respects considered (pressure, energy, pair correlation functions, self-diffusion rate) the revised set of interactions represents water more accurately than the earlier set.
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Citations
Cited by
Comparison of simple potential functions for simulating liquid water
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W., & Klein, M. L. (1983) · The Journal of Chemical Physics · doi:10.1063/1.445869 · Cited by 41,298
Levitt, M., Hirshberg, M., Sharon, R., Laidig, K. E., & Daggett, V. (1997) · The Journal of Physical Chemistry B · doi:10.1021/jp964020s · Cited by 561
An overview of current issues in the uptake of atmospheric trace gases by aerosols and clouds
Kolb, C. E., Cox, R. A., Abbatt, J. P. D., Ammann, M., Davis, E. J., Donaldson, D. J., Garrett, B. C., George, C., Griffiths, P. T., Hanson, D. R., et al. (2010) · Atmospheric Chemistry and Physics · doi:10.5194/acp-10-10561-2010 · Cited by 405
Metadata
- Authors
- Stillinger, F. H., & Rahman, A.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1978-01-15
- Volume
- 68
- Issue
- 2
- Pages
- 666-670
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1977204953
- Cited by
- 521
- References
- 0
- FWCI
- 10.80
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Revised central force potentials for water. https://app.cochat.ai/papers/10.1063/1.435738
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- Stillinger, F. H., & Rahman, A. (1978). Revised central force potentials for water. The Journal of Chemical Physics. https://doi.org/10.1063/1.435738
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
