The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
A polarizable model for water using distributed charge sites
Abstract
An algorithm is proposed for treating many-body polarization effects that is suitable for molecular dynamics simulations of polar fluids. As an application of the procedure we have augmented an existing point charge model for water. Using reasonable parameters, the characteristic water structure and liquid binding energy can be reproduced. The resulting effective dipole moment of a water molecule in water is found to be 2.85 D.
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Citations
Cites
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
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
How Water’s Properties Are Encoded in Its Molecular Structure and Energies
Brini, E., Fennell, C. J., Fernandez-Serra, M., Hribar-Lee, B., Lukšič, M., & Dill, K. A. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00259 · Cited by 518
Brunk, E., & Rothlisberger, U. (2015) · Chemical Reviews · doi:10.1021/cr500628b · Cited by 494
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
- Sprik, M., & Klein, M. L.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1988-12-15
- Volume
- 89
- Issue
- 12
- Pages
- 7556-7560
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2003348801
- Cited by
- 501
- References
- 1
- FWCI
- 10.91
- Type
- journal article
- Language
- en
- Open access
- closed
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- Sprik, M., & Klein, M. L. (1988). A polarizable model for water using distributed charge sites. The Journal of Chemical Physics. https://doi.org/10.1063/1.455722
Data sources
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.
