Skip navigation
Skip navigation

Monte Carlo study of disorder in HMTA

Goossens, Darren; Welberry, Thomas

Description

We investigate disordered solids by automated fitting of a Monte Carlo simulation of a crystal to observed single-crystal diffuse X-ray scattering. This method has been extended to the study of crystals of relatively large organic molecules by using a z-matrix to describe the molecules. This allows exploration of motions within molecules. We refer to the correlated thermal motion observed in benzil, and to the occupational and thermal disorder in the 1:1 adduct of hexamethylenetetramine and...[Show more]

CollectionsANU Research Publications
Date published: 2001
Type: Journal article
URI: http://hdl.handle.net/1885/92650
Source: Computer Physics Communications
DOI: 10.1016/S0010-4655(01)00389-7

Download

File Description SizeFormat Image
01_Goossens_Monte_Carlo_study_of_disorder_2001.pdf131.05 kBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  20 July 2017/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator