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Revealing how interactions lead to ordering in para-terphenyl

Goossens, Darren; Gutmann, M J


How does the ordering in a crystal arise from the interactions present? Crystal structure determination shows what the crystal structure is, but in solving directly for atomic coordinates leaves questions as to why (or how) aspects of the structure arise. The answers to such questions are crucial in the study of what drives structural phase transitions or in crystal structure prediction. In this work, modeling of the neutron diffuse scattering from deuterated para-terphenyl, C18D14,...[Show more]

CollectionsANU Research Publications
Date published: 2009-01-09
Type: Journal article
Source: Physical Review Letters 102.1 (2009): 015505/1-4
DOI: 10.1103/PhysRevLett.102.015505


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