Journal
JOURNAL OF APPLIED CRYSTALLOGRAPHY
Volume 47, Issue -, Pages 544-551Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S1600576713034547
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Funding
- International Synchrotron Access Program (ISAP)
- Australian Government
- Australian Institute of Nuclear Science and Engineering (AINSE)
- Australian Research Council
- NCI National Facility
- APS [GUP-24581]
- US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
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The thermal diffuse scattering in triglycine sulfate, (NH2CH2COOH)(3)center dot H2SO4, has been modelled by treating the intermolecular interactions that give rise to the correlated atomic displacements like Hooke's law springs. To limit the number of variables in the model, the force constants for the interactions were parameterized in a number of ways, the most successful of which was an empirical interaction potential using an exponential function of the interatomic separations.
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