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A method to perform modulated structure studies using the program ZMC

Chan, Eric; Goossens, Darren

Description

The Monte Carlo simulation toolkit ZMC provides a general method for Monte Carlo simulation of disordered molecular displacements, orientations and site occupations. It is part of a suite of programs that allows convenient calculation of three-dimensional reciprocal space diffraction intensities. Such intensities are useful for extensive structure interpretations from diffraction experiments. Some physical properties can also be calculated from the simulation. This article reports the...[Show more]

CollectionsANU Research Publications
Date published: 2017
Type: Journal article
URI: http://hdl.handle.net/1885/231110
Source: Journal of Applied Crystallography
DOI: 10.1107/S1600576717015023

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