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The temperature factor of an atom in a rigid vibrating molecule. II. Anisotropic thermal motion (1970)

Pawley, G. S. ; Willis, B. T. M.

[S.l.] : International Union of Crystallography (IUCr)

Acta crystallographica 26 (1970), S. 260-262

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ISSN: 1600-5724

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: The analysis in part I is generalized to any crystal containing rigid molecules which undergo anisotropic translational and librational motion about a site fixed by symmetry. The treatment is correct to terms in (ui2)2 and (ωi2)2, where (ui2) is the mean-square translational displacement of the molecule along the ith axis and (ωi2) is the mean-square angular libration about the same axis. The first-order treatment to terms in (ui2) and (ωi2) is shown to be equivalent to the rigid-body theory in current use.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0567739470000633

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