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  • 1
    Electronic Resource
    Electronic Resource
    Covariances of thermal parameters and their effect on rigid-body calculations (1972)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 28 (1972), S. 648-652 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: An isotropic approximation is developed for the covariance matrix of atomic vibration components in an arbitrary coordinate system. The effect of alternative treatments of these covariances on derived rigid-body vibration parameters is illustrated by a numerical comparison. Serious errors may result from neglect of the correlations between different components of the vibration tensors U if these are referred to non-orthogonal axes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0567739472001597
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