Details

Autor(en) / Beteiligte

• Hudspeth, J. M.
• Goossens, D. J.
• Welberry, T. R.

Titel

Approaches to modelling thermal diffuse scattering in triglycine sulfate, (NH2CH2COOH)3·H2SO4

Ist Teil von

• Journal of applied crystallography, 2014-04, Vol.47 (2), p.544-551

Ort / Verlag

5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography

Erscheinungsjahr

2014

Quelle

Wiley Online Library

Beschreibungen/Notizen

• The thermal diffuse scattering in triglycine sulfate, (NH2CH2COOH)3·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.