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Enhanced rigid-bond restraints

The rigid-bond model [Hirshfeld (1976 ▶). Acta Cryst. A32, 239–244] states that the mean-square displacements of two atoms are equal in the direction of the bond joining them. This criterion is widely used for verification (as intended by Hirshfeld) and also as a restraint in structure refinement as...

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Detalles Bibliográficos
Main Authors: Thorn, Andrea, Dittrich, Birger, Sheldrick, George M.
Formato: Artigo
Idioma:Inglês
Publicado: International Union of Crystallography 2012
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3377366/
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S0108767312014535
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