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Gaussian Model Potentials for Molecular Interactions
Abstract
Simple analytical forms for the orientation dependence of the potential between two molecules are derived from a Gaussian overlap model. Orientation-dependent range and energy parameters are determined, which can be used with any two-parameter atomic potential to give simple and reasonable polyatomic potentials.
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Citations
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Modification of the overlap potential to mimic a linear site–site potential
Gay, J. G., & Berne, B. J. (1981) · The Journal of Chemical Physics · doi:10.1063/1.441483 · Cited by 1,300
Self-citationShort range force effects in semiclassical molecular line broadening calculations
Robert, D., & Bonamy, J. (1979) · Journal de Physique · doi:10.1051/jphys:019790040010092300 · Cited by 628
Introduction to liquid crystals
Andrienko, D. (2018) · Journal of Molecular Liquids · doi:10.1016/j.molliq.2018.01.175 · Cited by 480
Liquid crystal phase diagram of the Gay-Berne fluid
De Miguel, E., Rull, L. F., Chalam, M. K., & Gubbins, K. E. (1991) · Molecular Physics · doi:10.1080/00268979100102321 · Cited by 295
Metadata
- Authors
- Berne, B. J., & Pechukas, P.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1972-04-15
- Volume
- 56
- Issue
- 8
- Pages
- 4213-4216
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2012834186
- Cited by
- 550
- References
- 0
- FWCI
- 3.02
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Gaussian Model Potentials for Molecular Interactions. https://app.cochat.ai/papers/10.1063/1.1677837
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- Berne, B. J., & Pechukas, P. (1972). Gaussian Model Potentials for Molecular Interactions. The Journal of Chemical Physics. https://doi.org/10.1063/1.1677837
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
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.
