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The Water Dipole Moment in Water Clusters
Abstract
The average dipole moment of a water molecule in the condensed phase is enhanced by around 40 percent relative to that of an isolated monomer. This enhancement results from the large polarization caused by the electric field induced by surrounding monomers. A quantitative molecular description of this polarization is essential for modeling aqueous solvation phenomena. This combined theoretical and experimental study of dipole moments in small water clusters provides such a description and also gives insights into the structure of liquid water.
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Citations
Cited by
Structure and reactivity of water at biomaterial surfaces
Vogler, E. A. (1998) · Advances in Colloid and Interface Science · doi:10.1016/s0001-8686(97)00040-7 · Cited by 1,640
Simulating water with rigid non-polarizable models: a general perspective
Vega, C., & Abascal, J. L. F. (2011) · Physical Chemistry Chemical Physics · doi:10.1039/c1cp22168j · Cited by 991
A reappraisal of what we have learnt during three decades of computer simulations on water
Guillot, B. (2002) · Journal of Molecular Liquids · doi:10.1016/s0167-7322(02)00094-6 · Cited by 958
A simple polarizable model of water based on classical Drude oscillators
Lamoureux, G., MacKerell, A. D., & Roux, B. (2003) · The Journal of Chemical Physics · doi:10.1063/1.1598191 · Cited by 688
A polarizable model of water for molecular dynamics simulations of biomolecules
Lamoureux, G., Harder, E., Vorobyov, I. V., Roux, B., & MacKerell, A. D. (2006) · Chemical Physics Letters · doi:10.1016/j.cplett.2005.10.135 · Cited by 677
Metadata
- Authors
- Gregory, J. K., Clary, D. C., Liu, K., Brown, M. G., & Saykally, R. J.
- Venue
- Science
- Published
- 1997-02-07
- Volume
- 275
- Issue
- 5301
- Pages
- 814-817
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2081203523
- Cited by
- 743
- References
- 0
- FWCI
- 18.30
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: The Water Dipole Moment in Water Clusters. https://app.cochat.ai/papers/10.1126/science.275.5301.814
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- Gregory, J. K., Clary, D. C., Liu, K., Brown, M. G., & Saykally, R. J. (1997). The Water Dipole Moment in Water Clusters. Science. https://doi.org/10.1126/science.275.5301.814
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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.
