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The Radial Distribution Functions of Water as Derived from Radiation Total Scattering Experiments: Is There Anything We Can Say for Sure?
Open accessAbstract
The present paper reviews the investigation of ambient water structure and focusses in particular on the determination of the radial distribution functions of water from total experimental radiation scattering experiments. A novel method for removing the inelastic scattering from neutron data is introduced, and the effect of Compton scattering on X-ray data is discussed. In addition the extent to which quantum effects can be discerned between heavy and light water is analysed against these more recent data. It is concluded that, with the help of modern data analysis and computer simulation tools to interrogate the scattering data, a considerable degree of consistency can be obtained between recent and past scattering experiments on water. That consistency also gives a realistic estimate of the likely uncertainties in the extracted radial distribution functions, as well as offering a benchmark against which future experiments can be judged.
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Citations
Cites
The Properties of Water: Insights from Quantum Simulations
Paesani, F., & Voth, G. A. (2009) · The Journal of Physical Chemistry B · doi:10.1021/jp810590c · Cited by 256
Cited by
Structural Analysis of Molecular Materials Using the Pair Distribution Function
Terban, M. W., & Billinge, S. J. L. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00237 · Cited by 426
DiStasio, R. A., Santra, B., Li, Z., Wu, X., & Car, R. (2014) · The Journal of Chemical Physics · doi:10.1063/1.4893377 · Cited by 329
Ab Initio Simulations of Water/Metal Interfaces
Groß, A., & Sakong, S. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00679 · Cited by 303
Raiteri, P., Schuitemaker, A., & Gale, J. D. (2020) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.0c01582 · Cited by 63
Metadata
- Authors
- Soper, A. K.
- Venue
- ISRN Physical Chemistry
- Publisher
- Hindawi Limited
- Published
- 2013-02-26
- Volume
- 2013
- Pages
- 1-67
- ISSN
- 2090-7761 (ISSN-L)
- OpenAlex
- W1967329550
- Cited by
- 285
- References
- 1
- FWCI
- 10.11
- Type
- journal article
- Language
- en
- Open access
- diamond
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- Soper, A. K. (2013). The Radial Distribution Functions of Water as Derived from Radiation Total Scattering Experiments: Is There Anything We Can Say for Sure? ISRN Physical Chemistry. https://doi.org/10.1155/2013/279463
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