An enhanced set of displacement parameter restraints in CRYSTALS
نویسندگان
چکیده
منابع مشابه
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 suggested by Rollett [Crystallographic Computing (1970), edited by F. R. Ahmed et al., pp. 167–181...
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ژورنال
عنوان ژورنال: Journal of Applied Crystallography
سال: 2018
ISSN: 1600-5767
DOI: 10.1107/s1600576718007100